# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-03-24T08:43:48+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (volume = 16 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
"1000003","7.9661","0.0007","9.205","0.001","7.3198","0.0008","90","","102.104","0.008","90","","524.8","0.9","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anhydrous acid strontium oxalate","","","- C3 O6 Sr -","- C3 O6 Sr -","- C12 O24 Sr4 -","4","1","","G. Vanhoyland; M.K. Van Bael; J. Mullens; L.C. Van Poucke","Structure determination of anhydrous acid strontium oxalate by conventional X-ray powder diffraction","Powder Diffraction","2001","16","4","224","226","10.1154/1.1401199","","","","","","","","","","","","","","","","","","","","","has coordinates","208206","2020-10-21","18:00:00",""
"1000198","3.616","0.003","3.616","0.003","6.366","0.003","90","","90","","90","","83.2","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","THALLIUM ALUMINIUM FLUORIDE","","- Al F4 Tl -","- Al F4 Tl -","- Al F4 Tl -","1","0.0625","","Fourquet, J L; Plet, F; Courbion, G; Bulou, A; de Pape, R","Etude de la filiation structurale des phases M(I) Al F~4~ (M(I) = K, Rb, Tl, N H~4~, Cs)","Revue de Chimie Minerale","1979","16","","490","500","","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000199","5.078","0.002","5.078","0.002","12.715","0.004","90","","90","","90","","327.9","","","","","","","","","","","","","4","I -4 c 2","I -4 -2c","120","","AMMONIUM ALUMINIUM TETRAFLUORIDE","","- Al F4 H4 N -","- Al F4 H4 N -","- Al4 F16 H16 N4 -","4","0.25","","Fourquet, J L; Plet, F; Courbion, G; Bulou, A; de Pape, R","Etude de la filiation structurale des phases M(I) Al F~4~ (M(I) = K, Rb, Tl, N H~4~, Cs)","Revue de Chimie Minerale","1979","16","","490","500","","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","279153","2022-11-09","14:45:49",""
"1000496","5.125","0.002","5.125","0.002","6.283","0.002","90","","90","","90","","165","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Rubidium tetrafluoroluminate","","- Al F4 Rb -","- Al F4 Rb -","- Al2 F8 Rb2 -","2","0.125","","Fourquet, J L; Plet, F; Courbion, G; Bulou, A; de Pape, R","Etude de la filiation structurale des phases M(I) Al F4 (M(I) = K, Rb, Tl, N H4, Cs)","Revue de Chimie Minerale","1979","16","","490","500","","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001253","13.201","0.015","7.813","0.004","12.2","0.08","90","","108.72","","90","","1191.7","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Pentamminecarbamatocobalt(III) nitrate","","- C H17 Co N8 O8 -","- C H17 Co N8 O8 -","- C4 H68 Co4 N32 O32 -","4","1","","Bernard, M A; Borel, M M; Grandin, A; Leclaire, A","Mise en evidence du ligand carbamato synthetise en milieu aqueux. Structure de Co (O C O N H~2~) (N H~3~)~5~ (N O~3~)~2~","Revue de Chimie Minerale","1979","16","","477","484","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","301771","2025-08-18","12:22:44",""
"1001294","8.286","0.001","9.408","0.002","7.987","0.002","90","","101.3","0.2","90","","610.6","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","DICADMIUM TRIARSENIDE BROMIDE","","- As3 Br Cd2 -","- As3 Br Cd2 -","- As12 Br4 Cd8 -","4","1","","Rebbah, A; Yazbeck, J; Lande, R; Deschanvres, A","Etudes structurales et optiques des phases du type Cd~2~ A~3~ X (A = As, P; X = Cl, Br, I) et de leur solution solide","Materials Research Bulletin","1981","16","","525","533","10.1016/0025-5408(81)90118-5","","","","","","0.088","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001295","8.243","0.001","9.334","0.002","7.516","0.002","90","","99.8","0.2","90","","569.8","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","DICADMIUM TRIPHOSPHIDE IODIDE","","- Cd2 I P3 -","- Cd2 I P3 -","- Cd8 I4 P12 -","4","1","","Rebbah, A; Yazbeck, J; Lande, R; Deschanvres, A","Etudes structurales et optiques des phases du type Cd~2~ A~3~ X (A = As, P; X = Cl, Br, I) et de leur solution solide","Materials Research Bulletin","1981","16","","525","533","10.1016/0025-5408(81)90118-5","","","","","","0.084","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001296","8.077","0.001","9.088","0.002","7.534","0.003","90","","100.3","0.2","90","","544.1","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","DICADMIUM TRIPHOSPHIDE BROMIDE","","- Br Cd2 P3 -","- Br Cd2 P3 -","- Br4 Cd8 P12 -","4","1","","Rebbah, A; Yazbeck, J; Lande, R; Deschanvres, A","Etudes structurales et optiques des phases du type Cd~2~ A~3~ X (A = As, P; X = Cl, Br, I) et de leur solution solide","Materials Research Bulletin","1981","16","","525","533","10.1016/0025-5408(81)90118-5","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001297","7.969","0.001","8.984","0.002","7.554","0.002","90","","100.8","0.1","90","","531.2","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","DICADMIUM TRIPHOSPHIDE CHLORIDE","","- Cd2 Cl P3 -","- Cd2 Cl P3 -","- Cd8 Cl4 P12 -","4","1","","Rebbah, A; Yazbeck, J; Lande, R; Deschanvres, A","Etudes structurales et optiques des phases du type Cd~2~ A~3~ X (A = As, P; X = Cl, Br, I) et de leur solution solide","Materials Research Bulletin","1981","16","","525","533","10.1016/0025-5408(81)90118-5","","","","","","0.088","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001303","9.02","0.004","9.02","0.004","11.796","0.008","90","","90","","120","","831.1","","","","","","","","","","","","","4","P 63/m c m","-P 6c 2","193","","BARIUM NIOBIUM TITANIUM OXIDE (3/3.2/5/21)","","- Ba3 Nb3.2 O21 Ti5 -","- Ba3 Nb3.2 O21 Ti5 -","- Ba6 Nb6.4 O42 Ti10 -","2","0.0833333","","Mercey, C; Groult, D; Raveau, B","Insertion du niobium et du tantale dans les oxydes de type A~3~ M~8~ O~21~. Les composes Ba~3~ M~4-4x~ Ti~4+5x~ O~21~ (0 <= x <= 0.3)","Revue de Chimie Minerale","1979","16","","165","173","","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001304","9.017","0.004","9.017","0.004","11.82","0.008","90","","90","","120","","832.3","","","","","","","","","","","","","4","P 63/m c m","-P 6c 2","193","","BARIUM TANTALUM TITANIUM OXIDE (3/3.2/5/21)","","- Ba3 O21 Ta3.2 Ti5 -","- Ba3 O21 Ta3.2 Ti5 -","- Ba6 O42 Ta6.4 Ti10 -","2","0.0833333","","Mercey, C; Groult, D; Raveau, B","Insertion du niobium et du tantale dans les oxydes de type A~3~ M~8~ O~21~. Les composes Ba~3~ M~4-4x~ Ti~4+5x~ O~21~ (0 <= x <= 0.3)","Revue de Chimie Minerale","1979","16","","165","173","","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001324","7.52","","7.52","","36.45","","90","","90","","120","","1785.1","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Silver tantalum oxide hydrate (10/29.2/78/10)","","- Ag10 H20 O88 Ta29.2 -","- Ag9.984 H29.96 O87.98 Ta29.2 -","- Ag9.984 H29.96 O87.98 Ta29.2 -","1","0.0416667","","Marini, A; Michel, C; Raveau, B","Etude du comportement des ions en insertion dans les oxydes A~10~ M~29.2~ O~78~ et A~10~ M~29.2~ O~78~ (H~2~ O)~10~","Revue de Chimie Minerale","1979","16","","73","79","","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001325","7.532","","7.532","","36.42","","90","","90","","120","","1789.3","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Thallium niobium oxide (10/29.2/78)","","- Nb29.2 O78 Tl10 -","- Nb28.9 O78 Tl9.999 -","- Nb28.9 O78 Tl9.999 -","1","0.0416667","","Marini, A; Michel, C; Raveau, B","Etude du comportement des ions en insertion dans les oxydes A~10~ M~29.2~ O~78~ et A~10~ M~29.2~ O~78~ (H~2~ O)~10~","Revue de Chimie Minerale","1979","16","","73","79","","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007136","6.285","0.005","14.74","0.01","7.844","0.005","90","","113.38","0.01","90","","667","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","TELLURIUM(VI) HYDROXIDE BIS(THALLIUM DIHYDROGENPHOSPHATE)","","- H10 O14 P2 Te Tl2 -","- H11 O14 P2 Te Tl2 -","- H22 O28 P4 Te2 Tl4 -","2","0.5","","Averbuch-Pouchot, M T; Durif, A","Crystal data for two new phosphate-tellurates: Te (O H)~6~ (Tl (H~2~ P O~4~))~2~ (Tl~2~ (H P O~4~)) and Te (O H)~6~ (Tl (H~2~ P O~4~))~2~. Crystal structure of Te (O H)~6~ (Tl (H~2~ P O~4~))~2~.","Materials Research Bulletin","1981","16","","71","76","10.1016/0025-5408(81)90180-X","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008002","4.99","0.001","4.99","0.001","4.622","0.001","90","","90","","120","","99.7","","","","","","","","","","","","","3","P -3 1 m","-P 3 2","162","","DICHROMIUM URANIUM(VI) OXIDE","","- Cr2 O6 U -","- Cr2 O6 U -","- Cr2 O6 U -","1","0.0833333","","Collomb, A; Gondrand, M; Lehmann, M; Capponi, J J; Joubert, J C","Etude par diffractions X et neutronique d'un monocristal de U Cr~2~ O~6~ obtenu par synthese hydrothermale sous tres haute pression. Determination des structures cristallographique et magnetique","Journal of Solid State Chemistry","1976","16","","41","48","10.1016/0022-4596(76)90005-0","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008003","4.99","0.001","4.99","0.001","4.622","0.001","90","","90","","120","","99.7","","","","","","","","","","","","","3","P -3 1 m","-P 3 2","162","","DICHROMIUM URANIUM(VI) OXIDE","","- Cr2 O6 U -","- Cr2 O6 U -","- Cr2 O6 U -","1","0.0833333","","Collomb, A; Gondrand, M; Lehmann, M; Capponi, J J; Joubert, J C","Etude par diffractions X et neutronique d'un monocristal de Cr~2~ O~6~ U obtenu par synthese hydrothermale sous tres haute pression. Determination des structures cristallographique et magnetique","Journal of Solid State Chemistry","1976","16","","41","48","10.1016/0022-4596(76)90005-0","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008245","5.329","0.001","5.329","0.001","5.329","0.001","90","","90","","90","","151.3","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","PALLADIUM(II) FLUORIDE","","- F2 Pd -","- F2 Pd -","- F8 Pd4 -","4","0.166667","","Tressaud, A; Soubeyroux, J L; Touhara, H; Demazeau, G; Langlais, F","On a new structural type of fluorine compounds: crystal and magnetic structures of a high pressure form of Pd F~2~","Materials Research Bulletin","1981","16","","207","214","10.1016/0025-5408(81)90083-0","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008246","5.329","0.001","5.329","0.001","5.329","0.001","90","","90","","90","","151.3","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","PALLADIUM FLUORIDE","","- F2 Pd -","- F2 Pd -","- F8 Pd4 -","4","0.333333","","Tressaud, A; Soubeyroux, J L; Touhara, H; Demazeau, G; Langlais, F","On a new structural type of fluorine compounds: crystal and magnetic structures of a high pressure form of Pd F~2~","Materials Research Bulletin","1981","16","","207","214","10.1016/0025-5408(81)90083-0","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008248","7.723","0.005","7.54","0.005","7.482","0.005","90","","101.32","0.05","90","","427.2","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","DIAMMONIUM HYDROGENSULFATE DIHYDROGENPHOSPHATE","","- H11 N2 O8 P S -","- H11 N2 O8 P S -","- H22 N4 O16 P2 S2 -","2","0.5","","Averbuch-Pouchot, M T","Hydrogen bonding in (N H~4~) (H S O~4~) (N H~4~) (H~2~ P O~4~)","Materials Research Bulletin","1981","16","","407","411","10.1016/0025-5408(81)90008-8","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008249","3.852","0.001","3.852","0.001","12.39","0.01","90","","90","","90","","183.8","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","STRONTIUM LANTHANUM MANGANESE OXIDE (1.5/0.5/1/4)","","- La0.5 Mn O4 Sr1.5 -","- La0.5 Mn O4 Sr1.5 -","- La Mn2 O8 Sr3 -","2","0.0625","","Bouloux, J C; Soubeyroux, J L; Daoudi, A; le Flem, G","Proprietes magnetiques de la phase Sr~1.50~ La~0.50~ Mn O~4~","Materials Research Bulletin","1981","16","","855","860","10.1016/0025-5408(81)90160-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008250","3.853","0.001","3.853","0.001","12.39","0.01","90","","90","","90","","183.9","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","STRONTIUM LANTHANUM MANGANESE OXIDE (1.5/0.5/1/4)","","- La0.5 Mn O4 Sr1.5 -","- La0.5 Mn O4 Sr1.5 -","- La Mn2 O8 Sr3 -","2","0.0625","","Bouloux, J C; Soubeyroux, J L; Daoudi, A; le Flem, G","Proprietes magnetiques de la phase Sr~1.50~ La~0.50~ Mn O~4~","Materials Research Bulletin","1981","16","","855","860","10.1016/0025-5408(81)90160-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008251","3.868","0.001","3.868","0.001","12.45","0.01","90","","90","","90","","186.3","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","STRONTIUM LANTHANUM MANGANESE OXIDE (1.5/0.5/1/4)","","- La0.5 Mn O4 Sr1.5 -","- La0.5 Mn O4 Sr1.5 -","- La Mn2 O8 Sr3 -","2","0.0625","","Bouloux, J C; Soubeyroux, J L; Daoudi, A; le Flem, G","Proprietes magnetiques de la phase Sr~1.50~ La~0.50~ Mn O~4~","Materials Research Bulletin","1981","16","","855","860","10.1016/0025-5408(81)90160-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008252","11.2824","","11.2824","","11.2824","","90","","90","","90","","1436.2","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","TETRATITANIUM DIIRON OXYGEN","","- Fe2 O Ti4 -","- Fe2 O Ti4 -","- Fe32 O16 Ti64 -","16","0.0833333","","Stioui, C; Fruchart, D; Rouault, A; Fruchart, R; Roudaut, E; Rebiere, J","Absorption d'hydrogene par Ti~4~ Fe~2~ O et diverses phases M~6~O","Materials Research Bulletin","1981","16","","869","876","10.1016/0025-5408(81)90162-8","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008253","11.2824","","11.2824","","11.2824","","90","","90","","90","","1436.2","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Titanium iron oxide deuteride (4/2/0.95/2.2)","","- D2.219 Fe2 O0.95 Ti4 -","- D2.219 Fe2 O0.95 Ti4 -","- D35.504 Fe32 O15.2 Ti64 -","16","0.0833333","","Stioui, C; Fruchart, D; Rouault, A; Fruchart, R; Roudaut, E; Rebiere, J","Absorption d'hydrogene par Ti~4~ Fe~2~ O et diverses phases M~6~O","Materials Research Bulletin","1981","16","","869","876","10.1016/0025-5408(81)90162-8","","","","","","0.085","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008257","8.846","0.003","8.378","0.003","7.241","0.003","90","","90","","90","","536.6","","","","","","","","","","","","","6","P c a 21","P 2c -2ac","29","","Urea antimony(III) fluoride","","- C H4 F3 N2 O Sb -","- C H4 F3 N2 O Sb -","- C4 H16 F12 N8 O4 Sb4 -","4","1","","Bourgault, M; Fourcade, R; Ducourant, B; Mascherpa, G","Structure cristalline de (N H~2~)~2~ C O, Sb F~3~","Revue de Chimie Minerale","1979","16","","151","156","","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1008915","6.042","0.001","6.042","","11.37","0.01","90","","90","","120","","359.5","","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","Lutetium manganese(III) trioxide","","- Lu Mn O3 -","- Lu Mn O3 -","- Lu6 Mn6 O18 -","6","0.5","","Yakel, H L; Koehler, W C; Bertaut, E F; Forrat, E F","On the crystal structure of the manganese(III) trioxides of the heavy lanthanides and yttrium","Acta Crystallographica (1,1948-23,1967)","1963","16","","957","962","10.1107/S0365110X63002589","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008935","4.486","","4.537","","3.138","","90","","90","","90","","63.9","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","Platinum(IV) oxide - β","","- O2 Pt -","- O2 Pt -","- O4 Pt2 -","2","0.25","","Muller, Olaf; Roy, Rustum","Formation and stability of the platinum and rhodium oxides at high oxygen pressures and the structures of Pt~3~O~4~, β-PtO~2~ and RhO~2~","Journal of the Less-Common Metals","1968","16","2","129","146","10.1016/0022-5088(68)90070-2","","","","","","0.122","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1008965","5.585","","5.585","","5.585","","90","","90","","90","","174.2","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","Platinum oxide (3/4)","","- O4 Pt3 -","- O4 Pt3 -","- O8 Pt6 -","2","0.0416667","","Muller, Olaf; Roy, Rustum","Formation and stability of the platinum and rhodium oxides at high oxygen pressures and the structures of Pt~3~O~4~, β-PtO~2~ and RhO~2~","Journal of the Less-Common Metals","1968","16","2","129","146","10.1016/0022-5088(68)90070-2","","","","","","0.152","","","","","","","","","","","","","","","has coordinates","200135","2020-10-21","18:00:00",""
"1011114","3.878","","3.878","","3.878","","90","","90","","90","","58.3","","","","","","","","","","","","synthetic, sheet","1","F m -3 m","-F 4 2 3","225","Platinum","Platinum","Platinum","- Pt -","- Pt -","- Pt4 -","4","0.0208333","","Uspenski, N; Konobejewski, S","Beugung der Roentgenstrahlen in mikrokrystallinen Strukturen","Zeitschrift fuer Physik","1923","16","","215","227","10.1007/BF01327394","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1100020","5","","5.72","","11.12","","90","","90","","90","","318","","","","","","","","","","","","","2","C m c 21","C 2c -2","36","","Tin (II) oxide - red modification","","- O Sn -","- O Sn -","- O8 Sn8 -","8","1","","Donaldson, J D; Moser, W; Simpson, W B","The structure of the red modification of tin(II)oxide","Acta Crystallographica (1,1948-23,1967)","1963","16","","A22","A22","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1100031","4.9452","","4.9452","","3.0342","","90","","90","","90","","74.2","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","Titanium nitride (2/1)","","- N Ti2 -","- N Ti2 -","- N2 Ti4 -","2","0.125","","Holmberg, B","Structural Studies on the Titanium-Nitrogen System","Acta Chemica Scandinavica (1-27,1973-42,1988)","1962","16","","1255","1261","10.3891/acta.chem.scand.16-1255","","","","","","0.094","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101072","12.159","0.001","5.038","0.002","12.491","0.002","90","","108.87","0.01","90","","724.038","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","N-(Aminoiminomethyl)-N-methylglycine monohydrate","","","- C4 H11 N3 O3 -","- C4 H11 N3 O3 -","- C16 H44 N12 O12 -","4","1","","Arakali, Aruna V.; McCloskeyt, J.; Parthasarathy, R.; Alderfer, J. L.; Chheda, G. B.; Srikrishnan, T.","Study of Creatinine and its 5-Alkoxy Analogs: Structure and Conformational Studies in the Solid and Solution States by X-Ray Crystallography, NMR, UV and Mass Spectrometry","Nucleosides & Nucleotides","1997","16","12","2193","2218","10.1080/07328319708002567","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101138","8.746","0.0008","13.874","0.001","10.678","0.001","90","","92.64","0.01","90","","1294.4","0.7","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 Cu N10 O14 -","- C16 H24 Cu N10 O14 -","- C32 H48 Cu2 N20 O28 -","2","0.5","","Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","A new three-dimensional, hydrogen-bonded metal-pteridine complex: synthesis, characterization and crystal structure of diaqua bis(1,3-dimethylpteridine-2,4(1H,3H)-dione-O^4^,N^5^) copper(II) nitrate dihydrate","Polyhedron","1997","16","","607","612","10.1016/0277-5387(96)00318-X","","","","","","","0.047","","","0.088","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1503630","11.299","0.003","11.299","0.003","30.405","0.008","90","","90","","120","","3361.7","1.5","293","2","293","2","","","","","","","synthesis as described","5","P 31 1 2","P 31 2 (0 0 4)","151","","","","- C35 H46 Br2 N2 O15 -","- C41 H46 Br2 N2 O15 -","- C123 H138 Br6 N6 O45 -","3","0.5","","Gonella, Silvia; Mahieux, Julien; Sanselme, Morgane; Coquerel, Gérard","Spotting a Conglomerate Is Just Halfway to Achieving a Preparative Resolution by Preferential Crystallization","Organic Process Research & Development","2012","16","2","286","","10.1021/op200092f","","x-ray","0.71073","MoKα","","0.0977","0.0503","","","0.1167","0.131","","","","","","0.856","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503631","5.7819","0.0011","9.6587","0.0018","13.317","0.003","79.109","0.003","82.475","0.003","86.782","0.003","723.6","0.3","293","2","293","2","","","","","","","synthesis as described","5","P 1","P 1","1","","","","- C28 H32 Cl2 N2 O8 -","- C28 H32 Cl2 N2 O8 -","- C28 H32 Cl2 N2 O8 -","1","1","","Gonella, Silvia; Mahieux, Julien; Sanselme, Morgane; Coquerel, Gérard","Spotting a Conglomerate Is Just Halfway to Achieving a Preparative Resolution by Preferential Crystallization","Organic Process Research & Development","2012","16","2","286","","10.1021/op200092f","","x-ray","0.71073","MoKα","","0.0394","0.0387","","","0.1023","0.1033","","","","","","1.067","","","","has coordinates","301775","2025-08-18","14:01:19",""
"1506327","7.2693","0.0003","9.9472","0.0004","34.2689","0.0015","90","","90","","90","","2477.96","0.18","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[2(picolylamine-N-acetate)ethyl]-alpha-D-glucofuranosyl rhenium-tricarbonyl","","","- C22 H27 N2 O11 Re -","- C22 H27 N2 O11 Re -","- C88 H108 N8 O44 Re4 -","4","1","","Dumas, Cécile; Petrig, Jeannine; Frei, Luzia; Spingler, Bernhard; Schibli, Roger","Functionalization of Glucose at Position C-3 for Transition Metal Coordination: Organo-Rhenium Complexes with Carbohydrate Skeletons","Bioconjugate Chemistry","2005","16","2","421","","10.1021/bc049744i","","","0.71073","MoKα","","0.0344","0.0304","","","0.0707","0.0721","","","","","","0.975","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506328","8.0008","0.0003","20.5058","0.0005","11.6366","0.0004","90","","90.958","0.002","90","","1908.87","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 N7 Re S2 -","- C15 H20 N7 Re S2 -","- C60 H80 N28 Re4 S8 -","4","1","","Banerjee, Sangeeta R.; Maresca, Kevin P.; Stephenson, Karin A.; Valliant, John F.; Babich, John W.; Graham, Wendy A.; Barzana, Marlene; Dong, Qing; Fischman, Alan J.; Zubieta, Jon","N,N-Bis(2-mercaptoethyl)methylamine: A New Coligand for Tc-99m Labeling of Hydrazinonicotinamide Peptides","Bioconjugate Chemistry","2005","16","4","885","","10.1021/bc050040y","","","0.71073","MoKα","","0.0878","0.0768","","0.1368","0.1173","","","","1.097","1.165","1.165","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506329","8.1375","0.0001","15.0204","0.0001","19.429","","90","","95.29","0.001","90","","2364.66","0.03","150","1","150","1","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C18.5 H15.5 Cl2 N7 O Re S2 -","- C18.5 H15.5 Cl2 N7 O Re S2 -","- C74 H62 Cl8 N28 O4 Re4 S8 -","4","2","","Banerjee, Sangeeta R.; Maresca, Kevin P.; Stephenson, Karin A.; Valliant, John F.; Babich, John W.; Graham, Wendy A.; Barzana, Marlene; Dong, Qing; Fischman, Alan J.; Zubieta, Jon","N,N-Bis(2-mercaptoethyl)methylamine: A New Coligand for Tc-99m Labeling of Hydrazinonicotinamide Peptides","Bioconjugate Chemistry","2005","16","4","885","","10.1021/bc050040y","","","0.71073","MoKα","","0.0652","0.0519","","0.1261","0.1163","","","","1.047","1.035","1.035","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506330","8.1062","0.0002","14.6072","0.0002","17.0107","0.0003","82.086","0.001","82.556","0.001","83.238","0.001","1967.96","0.07","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H18 Cl N6 Re S3 -","- C14 H18 Cl N6 Re S3 -","- C56 H72 Cl4 N24 Re4 S12 -","4","2","","Banerjee, Sangeeta R.; Maresca, Kevin P.; Stephenson, Karin A.; Valliant, John F.; Babich, John W.; Graham, Wendy A.; Barzana, Marlene; Dong, Qing; Fischman, Alan J.; Zubieta, Jon","N,N-Bis(2-mercaptoethyl)methylamine: A New Coligand for Tc-99m Labeling of Hydrazinonicotinamide Peptides","Bioconjugate Chemistry","2005","16","4","885","","10.1021/bc050040y","","","0.71073","MoKα","","0.0547","0.054","","0.1146","0.1085","","","","1.158","1.175","1.175","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506331","14.7905","0.0005","14.7131","0.0004","8.4637","0.0002","90","","91.068","0.001","90","","1841.5","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Cl N7 Re S -","- C16 H15 Cl N7 Re S -","- C64 H60 Cl4 N28 Re4 S4 -","4","1","","Banerjee, Sangeeta R.; Maresca, Kevin P.; Stephenson, Karin A.; Valliant, John F.; Babich, John W.; Graham, Wendy A.; Barzana, Marlene; Dong, Qing; Fischman, Alan J.; Zubieta, Jon","N,N-Bis(2-mercaptoethyl)methylamine: A New Coligand for Tc-99m Labeling of Hydrazinonicotinamide Peptides","Bioconjugate Chemistry","2005","16","4","885","","10.1021/bc050040y","","","0.71073","MoKα","","0.0705","0.0596","","0.1387","0.1295","","","","1.071","1.106","1.106","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506332","10.7229","0.001","15.3323","0.0014","20.6857","0.0019","90","","91.622","0.002","90","","3399.5","0.5","293","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Cl N16 O Re2 S2 -","- C28 H26 Cl N16 O Re2 S2 -","- C112 H104 Cl4 N64 O4 Re8 S8 -","4","1","","Banerjee, Sangeeta R.; Maresca, Kevin P.; Stephenson, Karin A.; Valliant, John F.; Babich, John W.; Graham, Wendy A.; Barzana, Marlene; Dong, Qing; Fischman, Alan J.; Zubieta, Jon","N,N-Bis(2-mercaptoethyl)methylamine: A New Coligand for Tc-99m Labeling of Hydrazinonicotinamide Peptides","Bioconjugate Chemistry","2005","16","4","885","","10.1021/bc050040y","","","0.71073","MoKα","","0.0882","0.0508","","","0.0813","0.0916","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506333","14.024","0.0008","13.1938","0.0008","13.2801","0.0008","90","","112.906","0.001","90","","2263.5","0.2","91","2","91","2","","","","","","","synthesised by authors, see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C12.5 H14 Cl4 N6 O5 Re -","- C12.5 H14 Cl4 N6 O5 Re -","- C50 H56 Cl16 N24 O20 Re4 -","4","1","","Banerjee, Sangeeta R.; Maresca, Kevin P.; Stephenson, Karin A.; Valliant, John F.; Babich, John W.; Graham, Wendy A.; Barzana, Marlene; Dong, Qing; Fischman, Alan J.; Zubieta, Jon","N,N-Bis(2-mercaptoethyl)methylamine: A New Coligand for Tc-99m Labeling of Hydrazinonicotinamide Peptides","Bioconjugate Chemistry","2005","16","4","885","","10.1021/bc050040y","","","0.71073","MoKα","","0.0756","0.06","","","0.1107","0.1254","","","","","","1.105","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506334","9.3544","0.0009","9.7712","0.0009","15.1811","0.0014","104.631","0.001","100.939","0.001","99.008","0.001","1287.3","0.2","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H21 N8 O4 Re S2 -","- C24 H21 N8 O4 Re S2 -","- C48 H42 N16 O8 Re2 S4 -","2","1","","Banerjee, Sangeeta R.; Maresca, Kevin P.; Stephenson, Karin A.; Valliant, John F.; Babich, John W.; Graham, Wendy A.; Barzana, Marlene; Dong, Qing; Fischman, Alan J.; Zubieta, Jon","N,N-Bis(2-mercaptoethyl)methylamine: A New Coligand for Tc-99m Labeling of Hydrazinonicotinamide Peptides","Bioconjugate Chemistry","2005","16","4","885","","10.1021/bc050040y","","","0.71073","MoKα","","0.05","0.0473","","","0.103","0.1046","","","","","","1.106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508986","10.76","","10.76","","10.76","","90","","90","","90","","1245.77","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Silver indium tin(IV) sulfide (0.5/0.5/0.5/2)","","- Ag0.5 In0.5 S2 Sn0.5 -","- Ag0.5 In0.5 S2 Sn0.5 -","- Ag8 In8 S32 Sn8 -","16","0.0833333","","Danot, M.; Rouxel, J.; Colombet, P.","Les systemes pseudo-binaires Ag In S2-Sn S2 et Cu In S2-Sn S2 les spinelles Agx Inx Sn1-x S2 et Cux Inx Sn1-x S2","Revue de Chimie Minerale","1979","16","","179","188","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509082","3.3423","","3.3423","","39.35","","90","","90","","120","","380.685","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Silver niobium sulfide (0.25/1/2)","","- Ag0.25 Nb S2 -","- Ag0.25 Nb S2 -","- Ag1.5 Nb6 S12 -","6","0.166667","","Bouwmeester, H.J.M.","The thermodynamic and kinetic properties of silver intercalated niobium disulfide","Solid State Ionics","1986","16","","163","170","10.1016/0167-2738(85)90039-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509089","10.783","","10.783","","10.783","","90","","90","","90","","1253.77","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Silver indium tin sulfide (0.3/0.6/0.4/2)","","- Ag0.3 In0.6 S2 Sn0.4 -","- Ag0.3 In0.6 S2 Sn0.4 -","- Ag4.8 In9.6 S32 Sn6.4 -","16","0.0833333","","Danot, M.; Rouxel, J.; Colombet, P.","Les systemes pseudo-binaires Ag In S2-Sn S2 et Cu In S2-Sn S2 les spinelles Agx Inx Sn1-x S2 et Cux Inx Sn1-x S2","Revue de Chimie Minerale","1979","16","","179","188","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509116","10.736","","10.736","","10.736","","90","","90","","90","","1237.45","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Silver indium tin(IV) sulfide (0.4/0.4/0.6/2)","","- Ag0.4 In0.4 S2 Sn0.6 -","- Ag0.4 In0.4 S2 Sn0.6 -","- Ag6.4 In6.4 S32 Sn9.6 -","16","0.0833333","","Colombet, P.; Danot, M.; Rouxel, J.","Les systemes pseudo-binaires Ag In S2-Sn S2 et Cu In S2-Sn S2 les spinelles Agx Inx Sn1-x S2 et Cux Inx Sn1-x S2","Revue de Chimie Minerale","1979","16","","179","188","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509244","6.144","","6.144","","6.144","","90","","90","","90","","231.928","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ag Bi Te2 -","- Ag Bi Te2 -","- Ag2 Bi2 Te4 -","2","0.0104167","","Sher, A.A.; Novoselova, A.V.; Odin, I.V.; Plachkova, S.K.","A physicochemical investigation of the Ge Te - Ag Bi Te2 system","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1980","16","","823","825","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509262","20.537","0.007","8.653","0.003","18.846","0.006","90","","106.68","0.02","90","","3208.1","1.9","298","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 Hg N8 O6 S4 -","- C24 H30 Hg N8 O6 S4 -","- C96 H120 Hg4 N32 O24 S16 -","4","0.5","","Angel García-Raso; Juan J. Fiol; G. Martorell; Adela López-Zafra; Miguel Quirós","Metallation of 2-sulfanilamidopyrimidine (sulfadiazine). X-ray diffraction structure and solution behaviour of bis(sulfadiazinato) mercury(II) bis(dimethylsulfoxide)","Polyhedron","1997","16","","613","621","10.1016/0277-5387(96)00317-8","","","0.71073","MoKα","","0.0527","0.0418","","","","0.0542","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509390","5.379","","5.379","","12.037","","90","","90","","90","","348.274","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","Ag (I O4)","","- Ag I O4 -","- Ag I O4 -","- Ag4 I4 O16 -","4","0.25","","Birkenbach, L.; Buschendorf, F.","Darstellung und Krystallstruktur des normalen (meta-) Silverperjodats","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1932","16","","102","112","","","","","","","","","","","","","","","","","","","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1509538","5.65","","5.65","","5.65","","90","","90","","90","","180.362","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Ag Se -","- Ag Se -","- Ag4 Se4 -","4","0.0416667","","Imamov, R.M.; Shafizade, R.B.; Nuriev, I.R.","Structure of a new cubic phase in the Ag-Se system","Soviet Physics, Crystallography (= Kristallografiya)","1972","16","","895","896","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509616","3.978","","3.978","","3.978","","90","","90","","90","","62.95","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Ag49 Pd49 Sn2)0.04","","- Ag1.96 Pd1.96 Sn0.08 -","- Ag1.96 Pd1.96 Sn0.08 -","- Ag1.96 Pd1.96 Sn0.08 -","1","0.00520833","","Cordey-Hayes, M.; Harris, I.R.","A study of some palladium-tin, silver-tin and palladium-silver-tin alloys","Journal of the Less-Common Metals","1968","16","","223","232","10.1016/0022-5088(68)90018-0","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510211","3.3478","","3.3478","","2.8729","","90","","90","","90","","32.199","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Au0.5 Cd1.5 -","- Au0.5 Cd1.5 -","- Au0.5 Cd1.5 -","1","0.03125","","Ahmed, S.","Phase transformations in Au-Cd alloy (75 at% Cd)","Metal Science Journal","1982","16","","497","498","10.1179/msc.1982.16.10.497","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510634","4.98","","4.98","","13.947","","90","","90","","120","","299.551","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","U3 Co7 B2","","- B2 Co7 U3 -","- B2 Co7 U3 -","- B4 Co14 U6 -","2","0.0833333","","Volovka, I.P.; Kuz'ma, Yu.B.","Crystal structure of uranium cobalt boride U3 Co7 B2","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1980","16","","1681","1683","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510698","5.482","","5.482","","10.332","","90","","90","","90","","310.501","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Fe5 B2 P","","- B2 Fe5 P -","- B2 Fe5 P -","- B8 Fe20 P4 -","4","0.125","","Rundqvist, S.","Some investigations of the ternary system Fe-P-B. Some features of the systems Cr-P-B, Mn-P-B, Co-P-B and Ni-P-B","Acta Chemica Scandinavica (1-27,1973-42,1988)","1962","16","","1","19","10.3891/acta.chem.scand.16-0001","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510706","5.403","","5.403","","3.112","","90","","90","","120","","78.676","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Gd Rh3 B2","","- B2 Gd Rh3 -","- B2 Gd Rh3 -","- B2 Gd Rh3 -","1","0.0416667","","Malik, S.K.; Dhar, S.K.; Devare, H.G.; Devare, S.H.","Quadrupole interaction at 111Cd in Gd Rh3 B2","Hyperfine Interactions","1983","16","","705","708","10.1007/BF02147347","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510827","4.039","","10.722","","18.62","","90","","96.23","","90","","801.599","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- B2 S3 -","- B2 S3 -","- B16 S24 -","8","2","","Krebs, B.; Diercks, H.","Crystal structure of B2 S3: Four-membered B2 S2 rings and six-membered B3 S3 rings","Angewandte Chemie (Edition international)","1977","16","","313","313","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1511090","4.132","","4.132","","4.132","","90","","90","","90","","70.547","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Dy Pd3 B","","- B Dy Pd3 -","- B Dy Pd3 -","- B Dy Pd3 -","1","0.0208333","","Vijayaraghavan, R.; Malik, S.K.; Dhar, S.K.","Boron addition to R Pd3 compounds (R= rare earth)","Materials Research Bulletin","1981","16","","1557","1560","10.1016/0025-5408(81)90028-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511100","4.121","","4.121","","4.121","","90","","90","","90","","69.985","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Er Pd3 B","","- B Er Pd3 -","- B Er Pd3 -","- B Er Pd3 -","1","0.0208333","","Vijayaraghavan, R.; Dhar, S.K.; Malik, S.K.","Boron addition to R Pd3 compounds (R=rare earth)","Materials Research Bulletin","1981","16","","1557","1560","10.1016/0025-5408(81)90028-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511115","4.196","","4.196","","4.196","","90","","90","","90","","73.877","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Eu Pd3 B","","- B Eu Pd3 -","- B Eu Pd3 -","- B Eu Pd3 -","1","0.0208333","","Vijayaraghavan, R.; Malik, S.K.; Dhar, S.K.","Boron addition to R Pd3 compounds (R=rare earth)","Materials Research Bulletin","1981","16","","1557","1560","10.1016/0025-5408(81)90028-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511166","4.146","","4.146","","4.146","","90","","90","","90","","71.267","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Gd Pd3 B","","- B Gd Pd3 -","- B Gd Pd3 -","- B Gd Pd3 -","1","0.0208333","","Vijayaraghavan, R.; Dhar, S.K.; Malik, S.K.","Boron addition to R Pd3 compounds (R=rare earth)","Materials Research Bulletin","1981","16","","1557","1560","10.1016/0025-5408(81)90028-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511260","4.187","","4.187","","4.187","","90","","90","","90","","73.402","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Nd Pd3 B","","- B Nd Pd3 -","- B Nd Pd3 -","- B Nd Pd3 -","1","0.0208333","","Malik, S.K.; Dhar, S.K.; Vijayaraghavan, R.","Boron addition to R Pd3 compounds (R = rare earth)","Materials Research Bulletin","1981","16","","1557","1560","10.1016/0025-5408(81)90028-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511277","8.812","","8.812","","4.375","","90","","90","","90","","339.725","","","","","","","","","","","","","3","P 42/n :2","-P 4bc","86","","Fe3 P0.37 B0.63","","- B0.63 Fe3 P0.37 -","- B0.63 Fe3 P0.37 -","- B5.04 Fe24 P2.96 -","8","1","","Rundqvist, S.","X-ray invesigations of the ternary system Fe-B-P.","Acta Chemica Scandinavica (1-27,1973-42,1988)","1962","16","","1","19","10.3891/acta.chem.scand.16-0001","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511295","5.4602","","7.5596","","4.8417","","90","","90","","90","","199.851","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Pd3 B","","- B Pd3 -","- B Pd3 -","- B4 Pd12 -","4","0.5","","Ellner, M.; Mittemeijer, E.J.; Beck, M.","Powder diffraction data for borides Pd3 B and Pd5 B2 and the formation of an amorphous boride Pd2 B","Powder Diffraction","2001","16","","98","101","10.1154/1.1351156","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511300","4.111","","4.111","","4.111","","90","","90","","90","","69.477","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Pd3 Tm B","","- B Pd3 Tm -","- B Pd3 Tm -","- B Pd3 Tm -","1","0.0208333","","Vijayaraghavan, R.; Dhar, S.K.; Malik, S.K.","Boron addition to R Pd3 compounds (R = rare earth)","Materials Research Bulletin","1981","16","","1557","1560","10.1016/0025-5408(81)90028-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511301","4.088","","4.088","","4.088","","90","","90","","90","","68.318","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Pd3 Yb B","","- B Pd3 Yb -","- B Pd3 Yb -","- B Pd3 Yb -","1","0.0208333","","Dhar, S.K.; Vijayaraghavan, R.; Malik, S.K.","Boron addition to R Pd3 compounds (R = rare earth)","Materials Research Bulletin","1981","16","","1557","1560","10.1016/0025-5408(81)90028-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511313","5.43","","5.43","","3.34","","90","","90","","120","","85.286","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","Rh3 Y B Si","","- B Rh3 Si Y -","- B Rh3 Si Y -","- B Rh3 Si Y -","1","0.0416667","","Lejay, P.; Cole, A.; Etournou, J.; Chevalier, B.","New ternary silicides in rare earth-rhodium-silicon system. Crystal structure and magnetic properties","Materials Research Bulletin","1981","16","","1067","1075","10.1016/0025-5408(81)90281-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511452","7.695","","4.446","","7.544","","90","","109.7","","90","","242.989","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","Cs Be2 (B O3) F2","","- B Be2 Cs F2 O3 -","- B Be2 Cs F2 O3 -","- B2 Be4 Cs2 F4 O6 -","2","0.5","","Podberezskaya, N.V.; Bakakin, V.V.; Baydina, I.A.; Bacanova, L.P.; Pal'chik, N.A.; Solov'eva, L.P.","X-ray studies of the structure of beryllium borate-fluorides M Be2 (B O3) F2 where M=Na, K, Rb, Cs","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1975","16","","1050","1053","","","","","","","","","","","","","","","","","","","","","","has coordinates","301776","2025-08-18","14:47:40",""
"1511457","7.695","","4.441","","7.087","","90","","111.2","","90","","225.797","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","Rb Be2 (B O3) F2","","- B Be2 F2 O3 Rb -","- B Be2 F2 O3 Rb -","- B2 Be4 F4 O6 Rb2 -","2","0.5","","Podberezskaya, N.V.; Solov'eva, L.P.; Pal'chik, N.A.; Bakakin, V.V.; Baydina, I.A.; Bacanova, L.P.","X-ray studies of the structure of beryllium borate-fluorides M Be2 (B O3) F2 where M=Na,K,Rb,Cs","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1975","16","","1050","1053","","","","","","","","","","","","","","","","","","","","","","has coordinates","301776","2025-08-18","14:47:40",""
"1511533","8.85","","7.63","","9.66","","90","","92","","90","","651.899","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","La Co (B O2)5","","- B5 Co La O10 -","- B5 Co La O10 -","- B20 Co4 La4 O40 -","4","1","","Mamedov, H.S.; Abdullaev, G.K.; Djafarov, G.G.","Crystal structure of lanthanium cobalt metaborate","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1975","16","","71","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511598","5.059","","5.059","","7.063","","90","","90","","90","","180.767","","","","","","","","","","","","","3","P 42/n m c :1","P 4n 2n -1n","137","","Ce Co4 B4","","- B4 Ce Co4 -","- B4 Ce Co4 -","- B8 Ce2 Co8 -","2","0.125","","Kuz'ma, Yu.B.; Bilonizhko, N.S.","Crystal structure of the compound Ce Co4 B4 and its analogs","Soviet Physics, Crystallography (= Kristallografiya)","1972","16","","897","898","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511608","5.06","","5.06","","7.12","","90","","90","","90","","182.298","","","","","","","","","","","","","3","P 42/n m c :2","-P 4ac 2a","137","","Ce Co4 B4","","- B4 Ce Co4 -","- B4 Ce Co4 -","- B8 Ce2 Co8 -","2","0.125","","Kuz'ma, Yu.B.; Bilonizhko, N.S.","Crystal structure of the compound Ce Co4 B4 and its analogs","Kristallografiya","1971","16","","1030","1032","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511664","12.11","","12.11","","12.11","","90","","90","","90","","1775.96","","","","","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","Co3 (B7 O13 I)","","- B7 Co3 I O13 -","- B7 Co3 I O13 -","- B56 Co24 I8 O104 -","8","0.0833333","","Bugakov, V.I.; Pakhomov, V.I.; Saifuddinov, V.Z.","Preparation and structure of Co3 B7 O13 I crystals","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1980","16","","142","144","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513252","3.9905","0.0013","3.9905","0.0013","4.0412","0.0014","90","","90","","90","","64.35","0.04","300","2","300","2","","","","","","","","3","P 4 m m","P 4 -2","99","","","","- Ba O3 Ti -","- Ba O3 Ti -","- Ba O3 Ti -","1","0.125","IA5038","Yasuda, Nobuhiro; Murayama, Haruno; Fukuyama, Yoshimitsu; Kim, Jungeun; Kimura, Shigeru; Toriumi, Koshiro; Tanaka, Yoshihito; Moritomo, Yutaka; Kuroiwa, Yoshihiro; Kato, Kenichi; Tanaka, Hitoshi; Takata, Masaki","X-ray diffractometry for the structure determination of a submicrometre single powder grain","Journal of Synchrotron Radiation","2009","16","3","352","357","10.1107/S090904950900675X","","","0.83351","Synchrotron","","0.0575","0.0524","","","0.0994","0.1024","","","","","","1.168","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513382","10.065","0.002","15.889","0.003","15.467","0.003","90","","106.885","0.003","90","","2366.9","0.8","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 B N2 -","- C29 H31 B N2 -","- C116 H124 B4 N8 -","4","1","","Ko, Soo-Byung; Lu, Jia-Sheng; Wang, Suning","Chelation-assisted photoelimination of b,n-heterocycles.","Organic letters","2014","16","2","616","619","10.1021/ol403550b","","","0.71073","MoKα","","0.1293","0.0578","","","0.1276","0.1577","","","","","","0.982","","","","has coordinates","301776","2025-08-18","14:47:43",""
"1513383","36.782","0.007","36.782","0.007","14.26","0.003","90","","90","","120","","16708","6","180","2","180","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C40 H49 B N2 O2 Pt -","- C40 H49 B N2 O2 Pt -","- C720 H882 B18 N36 O36 Pt18 -","18","1","","Ko, Soo-Byung; Lu, Jia-Sheng; Wang, Suning","Chelation-assisted photoelimination of b,n-heterocycles.","Organic letters","2014","16","2","616","619","10.1021/ol403550b","","","0.71073","MoKα","","0.1645","0.0673","","","0.1183","0.1471","","","","","","0.852","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513384","12.2122","0.0014","9.7378","0.0012","11.5756","0.0014","90","","90.414","0.002","90","","1376.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C72 H56 N8 O4 -","4","1","","Sun, Wen-Wu; Cao, Pei; Mei, Ren-Qiang; Li, Yue; Ma, Yuan-Liang; Wu, Bin","Palladium-Catalyzed Unactivated C(sp(3))-H Bond Activation and Intramolecular Amination of Carboxamides: A New Approach to β-Lactams.","Organic letters","2014","16","2","480","483","10.1021/ol403364k","","","0.71073","MoKα","","0.0487","0.0429","","","0.1185","0.1239","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513385","13.6518","0.0017","9.812","0.0012","12.3174","0.0015","90","","112.549","0.002","90","","1523.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","","Sun, Wen-Wu; Cao, Pei; Mei, Ren-Qiang; Li, Yue; Ma, Yuan-Liang; Wu, Bin","Palladium-Catalyzed Unactivated C(sp(3))-H Bond Activation and Intramolecular Amination of Carboxamides: A New Approach to β-Lactams.","Organic letters","2014","16","2","480","483","10.1021/ol403364k","","","0.71073","MoKα","","0.0545","0.0429","","","0.1075","0.1158","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513386","7.8685","0.0007","16.8026","0.0014","10.9944","0.0009","90","","106.843","0.001","90","","1391.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 F N2 O -","- C18 H13 F N2 O -","- C72 H52 F4 N8 O4 -","4","1","","Sun, Wen-Wu; Cao, Pei; Mei, Ren-Qiang; Li, Yue; Ma, Yuan-Liang; Wu, Bin","Palladium-Catalyzed Unactivated C(sp(3))-H Bond Activation and Intramolecular Amination of Carboxamides: A New Approach to β-Lactams.","Organic letters","2014","16","2","480","483","10.1021/ol403364k","","","0.71073","MoKα","","0.0724","0.0598","","","0.1732","0.1859","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513387","23.5047","0.0017","13.3187","0.0003","13.1615","0.0003","90","","90","","90","","4120.2","0.3","299","2","299","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C21 H34 O5 -","- C21 H34 O5 -","- C168 H272 O40 -","8","1","","He, Shuzhong; Yang, Wei; Zhu, Lizhi; Du, Guangyan; Lee, Chi-Sing","Bioinspired Total Synthesis of (±)-Yezo'otogirin C.","Organic letters","2014","16","2","496","499","10.1021/ol403374h","","","1.54178","CuKα","","0.1259","0.0872","","","0.163","0.1798","","","","","","1.349","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513388","22.853","0.003","3.9578","0.0005","16.3958","0.0019","90","","105.654","0.004","90","","1428","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 S -","- C22 H12 S -","- C88 H48 S4 -","4","1","","Zhang, Shiqian; Qiao, Xiaolan; Chen, Ying; Wang, Yuanyuan; Edkins, Robert M.; Liu, Zhiqiang; Li, Hongxiang; Fang, Qi","Synthesis, Structure, and Opto-electronic Properties of Regioisomeric Pyrene-Thienoacenes.","Organic letters","2014","16","2","342","345","10.1021/ol402971n","","","0.71073","MoKα","","0.0846","0.053","","","0.1559","0.1817","","","","","","1.107","","","","has coordinates","301776","2025-08-18","14:47:43",""
"1513389","12.7799","0.0003","12.0694","0.0003","10.7199","0.0003","90","","95.423","0.002","90","","1646.1","0.07","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 S -","- C23 H16 S -","- C92 H64 S4 -","4","1","","Zhang, Shiqian; Qiao, Xiaolan; Chen, Ying; Wang, Yuanyuan; Edkins, Robert M.; Liu, Zhiqiang; Li, Hongxiang; Fang, Qi","Synthesis, Structure, and Opto-electronic Properties of Regioisomeric Pyrene-Thienoacenes.","Organic letters","2014","16","2","342","345","10.1021/ol402971n","","","0.71073","MoKα","","0.0904","0.0514","","","0.1295","0.1549","","","","","","1.011","","","","has coordinates","301776","2025-08-18","14:47:43",""
"1513390","4.3991","0.0003","15.0875","0.0012","21.4552","0.0015","90","","90","","90","","1424.01","0.18","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H12 S -","- C22 H12 S -","- C88 H48 S4 -","4","1","","Zhang, Shiqian; Qiao, Xiaolan; Chen, Ying; Wang, Yuanyuan; Edkins, Robert M.; Liu, Zhiqiang; Li, Hongxiang; Fang, Qi","Synthesis, Structure, and Opto-electronic Properties of Regioisomeric Pyrene-Thienoacenes.","Organic letters","2014","16","2","342","345","10.1021/ol402971n","","","0.71073","MoKα","","0.0907","0.0562","","","0.1227","0.1394","","","","","","1.301","","","","has coordinates","301776","2025-08-18","14:47:43",""
"1513391","10.9159","0.0002","13.4792","0.0002","11.7522","0.0002","90","","105.154","0.001","90","","1669.06","0.05","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 S -","- C23 H16 S -","- C92 H64 S4 -","4","1","","Zhang, Shiqian; Qiao, Xiaolan; Chen, Ying; Wang, Yuanyuan; Edkins, Robert M.; Liu, Zhiqiang; Li, Hongxiang; Fang, Qi","Synthesis, Structure, and Opto-electronic Properties of Regioisomeric Pyrene-Thienoacenes.","Organic letters","2014","16","2","342","345","10.1021/ol402971n","","","0.71073","MoKα","","0.0613","0.0401","","","0.1281","0.1477","","","","","","0.988","","","","has coordinates","301776","2025-08-18","14:47:43",""
"1513393","10.5239","0.0003","15.5809","0.0004","10.0994","0.0003","90","","98.234","0.002","90","","1638.95","0.08","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 S -","- C23 H16 S -","- C92 H64 S4 -","4","1","","Zhang, Shiqian; Qiao, Xiaolan; Chen, Ying; Wang, Yuanyuan; Edkins, Robert M.; Liu, Zhiqiang; Li, Hongxiang; Fang, Qi","Synthesis, Structure, and Opto-electronic Properties of Regioisomeric Pyrene-Thienoacenes.","Organic letters","2014","16","2","342","345","10.1021/ol402971n","","","0.71073","MoKα","","0.0975","0.049","","","0.122","0.1435","","","","","","1.029","","","","has coordinates","301776","2025-08-18","14:47:43",""
"1513394","7.4523","0.0008","5.5812","0.0005","10.725","0.001","90","","104.486","0.005","90","","431.9","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H12 O4 -","- C8 H12 O4 -","- C16 H24 O8 -","2","1","","Alcoberro, Sandra; Gómez-Palomino, Alejandro; Solà, Ricard; Romea, Pedro; Urpí, Fèlix; Font-Bardia, Mercè","Stereoselective titanium-mediated aldol reactions of a chiral lactate-derived ethyl ketone with ketones.","Organic letters","2014","16","2","584","587","10.1021/ol403461b","","","0.71073","MoKα","","0.0982","0.0542","","","0.1115","0.1284","","","","","","1.024","","","","has coordinates","301776","2025-08-18","14:47:43",""
"1513395","10.015","0.002","17.961","0.004","8.0294","0.0016","90","","114.14","0.03","90","","1318","0.6","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C26 H16 Cu2 F6 N4 Se2 -","- C26 H16 Cu2 F6 N4 Se2 -","- C52 H32 Cu4 F12 N8 Se4 -","2","0.25","","Chen, Chaohuang; Hou, Chuanqi; Wang, Yuguang; Hor, T. S. Andy; Weng, Zhiqiang","Copper-catalyzed trifluoromethylselenolation of aryl and alkyl halides: the silver effect in transmetalation.","Organic letters","2014","16","2","524","527","10.1021/ol403406y","","","0.71073","MoKα","","0.1278","0.0837","","","0.2245","0.3221","","","","","","1","","","","has coordinates","301776","2025-08-18","14:47:43",""
"1513396","12.7431","0.0004","11.7643","0.0004","12.0525","0.0004","90","","90.799","0.001","90","","1806.66","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 O9 -","- C21 H24 O9 -","- C84 H96 O36 -","4","1","","Geng, Chang-An; Chen, Xing-Long; Zhou, Ning-Jia; Chen, Hao; Ma, Yun-Bao; Huang, Xiao-Yan; Zhang, Xue-Mei; Chen, Ji-Jun","LC-MS Guided Isolation of (±)-Sweriledugenin A, a Pair of Enantiomeric Lactones, from Swertia leducii.","Organic letters","2014","16","2","370","373","10.1021/ol403198d","","","1.54178","CuKα","","0.1056","0.1048","","","0.2894","0.2912","","","","","","1.445","","","","has coordinates","301776","2025-08-18","14:47:43",""
"1513397","9.2966","0.0005","12.0684","0.0007","27.4671","0.0016","90","","90","","90","","3081.7","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H55 N5 -","- C35 H55 N5 -","- C140 H220 N20 -","4","1","","Cao, Ming-Ming; Huang, Sheng-Dian; Di, Ying-Tong; Yuan, Chun-Mao; Zuo, Guo-Ying; Gu, Yu-Cheng; Zhang, Yu; Hao, Xiao-Jiang","Myrifabine, the First Dimeric Myrioneuron Alkaloid from Myrioneuron faberi.","Organic letters","2014","16","2","528","531","10.1021/ol403408m","","","1.54178","CuKα","","0.0434","0.042","","","0.1127","0.1138","","","","","","1.06","","","","has coordinates","301776","2025-08-18","14:47:43",""
"1513398","5.5837","0.0013","9.0762","0.0017","31.477","0.007","90","","90","","90","","1595.2","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3a","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","","Zhou, Bing; Du, Juanjuan; Yang, Yaxi; Feng, Huijin; Li, Yuanchao","Rh(III)-Catalyzed C-H Amidation with N-Hydroxycarbamates: A New Entry to N-Carbamate-Protected Arylamines.","Organic letters","2014","16","2","592","595","10.1021/ol403477w","","","0.71073","MoKα","","0.1354","0.0563","","","0.0929","0.1173","","","","","","0.978","","","","has coordinates","301776","2025-08-18","14:47:43",""
"1513399","7.3072","0.001","7.3072","0.001","25.958","0.005","90","","90","","90","","1386","0.4","173","2","173","2","","","","","","","","4","P 41","P 4w","76","","","","- C16 H15 Br O2 -","- C16 H15 Br O2 -","- C64 H60 Br4 O8 -","4","1","","Han, Fu-Zhong; Zhu, Fu-Lin; Wang, Ya-Hui; Zou, Yuan; Hu, Xin-Hu; Chen, Song; Hu, Xiang-Ping","Highly enantioselective copper-catalyzed propargylic substitution of propargylic acetates with 1,3-dicarbonyl compounds.","Organic letters","2014","16","2","588","591","10.1021/ol403469m","","","0.71073","MoKα","","0.0306","0.0295","","","0.0697","0.0706","","","","","","1.07","","","","has coordinates","301776","2025-08-18","14:47:43",""
"1513400","8.676","0.003","9.259","0.004","10.498","0.004","89.26","0.03","76.85","0.04","66.87","0.04","752.4","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H24 O3 -","- C18 H24 O3 -","- C36 H48 O6 -","2","1","","Carrillo, Romen; Martín, Tomás; López-Rodríguez, Matías; Pinacho Crisóstomo, Fernando","Expedient Synthesis of C3-Symmetric Hexasubstituted Benzenes via Nicholas Reaction/[2 + 2 + 2] Cycloaddition. New Platforms for Molecular Recognition.","Organic letters","2014","16","2","552","555","10.1021/ol403428p","","","1.5418","CuKα","","0.0424","0.0404","","","0.1144","0.1162","","","","","","1.032","","","","has coordinates","301776","2025-08-18","14:47:43",""
"1513401","41.2339","0.0011","13.6303","0.0004","15.0005","0.0004","90","","90","","90","","8430.7","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C81 H108 F15 N15 O9 -","- C81 H108 F15 N15 O9 -","- C324 H432 F60 N60 O36 -","4","1","","Pramanik, Avijit; Emami Khansari, Maryam; Powell, Douglas R.; Fronczek, Frank R.; Hossain, Md Alamgir","Absorption of Atmospheric CO2 as Carbonate Inside the Molecular Cavity of a New Tripodal Hexaurea Receptor.","Organic letters","2014","16","2","366","369","10.1021/ol403186k","","","0.71073","MoKα","","0.042","0.036","","","0.0836","0.0874","","","","","","1.003","","","","has coordinates,has disorder","301776","2025-08-18","14:47:43",""
"1513402","41.238","0.002","13.6194","0.0008","14.9845","0.0008","90","","90","","90","","8415.8","0.8","100","0.5","100","0.5","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C81 H108 F15 N15 O9 -","- C81 H108 F15 N15 O9 -","- C324 H432 F60 N60 O36 -","4","1","","Pramanik, Avijit; Emami Khansari, Maryam; Powell, Douglas R.; Fronczek, Frank R.; Hossain, Md Alamgir","Absorption of Atmospheric CO2 as Carbonate Inside the Molecular Cavity of a New Tripodal Hexaurea Receptor.","Organic letters","2014","16","2","366","369","10.1021/ol403186k","","","0.71073","MoKα","","0.0434","0.0351","","","0.0763","0.0802","","","","","","1.025","","","","has coordinates,has disorder","301776","2025-08-18","14:47:43",""
"1513403","13.262","0.004","9.481","0.003","14.406","0.005","90","","100.905","0.005","90","","1778.7","1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C84 H76 N4 O12 -","4","1","","Zhao, Mi-Na; Ren, Zhi-Hui; Wang, Yao-Yu; Guan, Zheng-Hui","Pd-catalyzed oxidative coupling of enamides and alkynes for synthesis of substituted pyrroles.","Organic letters","2014","16","2","608","611","10.1021/ol403517p","","","0.71073","MoKα","","0.0709","0.0558","","","0.1101","0.1177","","","","","","1.005","","","","has coordinates","301776","2025-08-18","14:47:43",""
"1513404","19.819","0.007","5.93","0.002","26.889","0.01","90","","102.577","0.014","90","","3084.3","1.9","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H17 N O -","- C19 H17 N O -","- C152 H136 N8 O8 -","8","1","","Zhao, Mi-Na; Ren, Zhi-Hui; Wang, Yao-Yu; Guan, Zheng-Hui","Pd-catalyzed oxidative coupling of enamides and alkynes for synthesis of substituted pyrroles.","Organic letters","2014","16","2","608","611","10.1021/ol403517p","","","0.71073","MoKα","","0.2207","0.0854","","","0.1752","0.2302","","","","","","1.025","","","","has coordinates","301776","2025-08-18","14:47:43",""
"1513405","19.461","0.003","8.7866","0.0012","11.3296","0.0016","90","","106.997","0.002","90","","1852.7","0.5","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C5 H3 N11 O2 -","- C5 H3 N11 O2 -","- C40 H24 N88 O16 -","8","2","","Palysaeva, Nadezhda V.; Kumpan, Katerina P.; Struchkova, Marina I.; Dalinger, Igor L.; Kormanov, Aleksandr V.; Aleksandrova, Nataly S.; Chernyshev, Victor M.; Pyreu, Dmitrii F.; Suponitsky, Kyrill Yu; Sheremetev, Aleksei B.","A Direct Approach to a 6-Hetarylamino[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine Library.","Organic letters","2014","16","2","406","409","10.1021/ol403308h","","","0.71073","MoKα","","0.0697","0.0522","","","0.1041","0.1101","","","","","","1.029","","","","has coordinates","301776","2025-08-18","14:47:43",""
"1513406","5.1476","0.001","24.198","0.005","9.0518","0.0017","90","","90.242","0.004","90","","1127.5","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H5 N12 O2.5 -","- C7 H5 N12 O2.5 -","- C28 H20 N48 O10 -","4","2","","Palysaeva, Nadezhda V.; Kumpan, Katerina P.; Struchkova, Marina I.; Dalinger, Igor L.; Kormanov, Aleksandr V.; Aleksandrova, Nataly S.; Chernyshev, Victor M.; Pyreu, Dmitrii F.; Suponitsky, Kyrill Yu; Sheremetev, Aleksei B.","A Direct Approach to a 6-Hetarylamino[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine Library.","Organic letters","2014","16","2","406","409","10.1021/ol403308h","","","0.71073","MoKα","","0.0731","0.0401","","","0.0712","0.0816","","","","","","1.014","","","","has coordinates","301776","2025-08-18","14:47:43",""
"1513407","8.1516","0.0014","7.1045","0.0012","19.453","0.003","90","","95.924","0.004","90","","1120.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H10 N10 O4 -","- C5 H10 N10 O4 -","- C20 H40 N40 O16 -","4","1","","Palysaeva, Nadezhda V.; Kumpan, Katerina P.; Struchkova, Marina I.; Dalinger, Igor L.; Kormanov, Aleksandr V.; Aleksandrova, Nataly S.; Chernyshev, Victor M.; Pyreu, Dmitrii F.; Suponitsky, Kyrill Yu; Sheremetev, Aleksei B.","A Direct Approach to a 6-Hetarylamino[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine Library.","Organic letters","2014","16","2","406","409","10.1021/ol403308h","","","0.71073","MoKα","","0.1318","0.0522","","","0.0847","0.1077","","","","","","0.977","","","","has coordinates","301776","2025-08-18","14:47:43",""
"1513408","7.1664","0.0004","8.7753","0.0005","20.0906","0.0012","90","","96.993","0.001","90","","1254.05","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 F3 N13 O2 -","- C7 H4 F3 N13 O2 -","- C28 H16 F12 N52 O8 -","4","1","","Palysaeva, Nadezhda V.; Kumpan, Katerina P.; Struchkova, Marina I.; Dalinger, Igor L.; Kormanov, Aleksandr V.; Aleksandrova, Nataly S.; Chernyshev, Victor M.; Pyreu, Dmitrii F.; Suponitsky, Kyrill Yu; Sheremetev, Aleksei B.","A Direct Approach to a 6-Hetarylamino[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine Library.","Organic letters","2014","16","2","406","409","10.1021/ol403308h","","","0.71073","MoKα","","0.0664","0.039","","","0.0836","0.0943","","","","","","1.007","","","","has coordinates","301776","2025-08-18","14:47:43",""
"1513409","7.4468","0.0005","8.4992","0.0006","12.6276","0.0009","92.205","0.001","97.416","0.001","108.669","0.001","748.13","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H13 N13 O5 -","- C7 H13 N13 O5 -","- C14 H26 N26 O10 -","2","1","","Palysaeva, Nadezhda V.; Kumpan, Katerina P.; Struchkova, Marina I.; Dalinger, Igor L.; Kormanov, Aleksandr V.; Aleksandrova, Nataly S.; Chernyshev, Victor M.; Pyreu, Dmitrii F.; Suponitsky, Kyrill Yu; Sheremetev, Aleksei B.","A Direct Approach to a 6-Hetarylamino[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine Library.","Organic letters","2014","16","2","406","409","10.1021/ol403308h","","","0.71073","MoKα","","0.0512","0.0398","","","0.0949","0.1038","","","","","","1.022","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513410","7.507","0.003","27.831","0.005","7.592","0.003","90","","97.477","0.005","90","","1572.7","0.9","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","8-methyl-5-phenyl-5H-dibenzo[c,e]azepine","","- C21 H17 N -","- C21 H17 N -","- C84 H68 N4 -","4","1","","Narbonne, Vanessa; Retailleau, Pascal; Maestri, Giovanni; Malacria, Max","Diastereoselective Synthesis of Dibenzoazepines through Chelation on Palladium(IV) Intermediates.","Organic letters","2014","16","2","628","631","10.1021/ol403525c","","","0.7107","MoKα","","0.0712","0.0661","","","0.1684","0.1759","","","","","","1.089","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513411","8.592","0.003","12.624","0.005","17.8","0.007","90","","90.542","0.007","90","","1930.6","1.3","293","2","293","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N4 O2 -","- C24 H18 N4 O2 -","- C96 H72 N16 O8 -","4","1","","Hussain, Mohd Kamil; Ansari, Mohd Imran; Kant, Ruchir; Hajela, Kanchan","Tandem C-2 Functionalization-Intramolecular Azide-Alkyne 1,3-Dipolar Cycloaddition Reaction: A Convenient Route to Highly Diversified 9H-Benzo[b]pyrrolo[1,2-g][1,2,3]triazolo[1,5-d][1,4]diazepines.","Organic letters","2014","16","2","560","563","10.1021/ol403420z","","","0.71075","MoKα","","0.089","0.0592","","","0.1626","0.1897","","","","","","1.098","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513412","8.6705","0.0017","10.194","0.002","10.926","0.002","110.2","0.03","92.26","0.03","106.1","0.03","860.9","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H15 Cl N2 -","- C22 H15 Cl N2 -","- C44 H30 Cl2 N4 -","2","1","","Wang, Xu; Li, Shen-Yan; Pan, Ying-Ming; Wang, Heng-Shan; Liang, Hong; Chen, Zhen-Feng; Qin, Xiao-Huan","Samarium(III)-Catalyzed C(sp(3))-H Bond Activation: Synthesis of Indolizines via C-C and C-N Coupling between 2-Alkylazaarenes and Propargylic Alcohols.","Organic letters","2014","16","2","580","583","10.1021/ol4034513","","","0.71073","MoKα","","0.0455","0.0396","","","0.1287","0.1372","","","","","","1.067","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513413","7.799","0.004","10.222","0.005","20.921","0.01","90","","90","","90","","1667.9","1.4","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Cl N O3 -","- C17 H16 Cl N O3 -","- C68 H64 Cl4 N4 O12 -","4","1","","Liu, Le; Zhang-Negrerie, Daisy; Du, Yunfei; Zhao, Kang","PhICl2 and Wet DMF: An Efficient System for Regioselective Chloroformyloxylation/α-Chlorination of Alkenes/α,β-Unsaturated Compounds.","Organic letters","2014","16","2","436","439","10.1021/ol403321n","","","0.71073","MoKα","","0.0491","0.0424","","","0.1175","0.1253","","","","","","1.038","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513414","12.049","0.002","5.323","0.0011","13.632","0.003","90","","114.5","0.03","90","","795.6","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H16 Cl O4 -","- C17 H16 Cl O4 -","- C34 H32 Cl2 O8 -","2","1","","Liu, Le; Zhang-Negrerie, Daisy; Du, Yunfei; Zhao, Kang","PhICl2 and Wet DMF: An Efficient System for Regioselective Chloroformyloxylation/α-Chlorination of Alkenes/α,β-Unsaturated Compounds.","Organic letters","2014","16","2","436","439","10.1021/ol403321n","","","0.71073","MoKα","","0.0799","0.0489","","","0.0949","0.119","","","","","","1.007","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513415","19.219","0.0018","8.9835","0.0008","18.1799","0.0016","90","","95.093","0.001","90","","3126.4","0.5","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 O5 -","- C19 H20 O5 -","- C152 H160 O40 -","8","1","","Liang, Wen-Juan; Geng, Chang-An; Zhang, Xue-Mei; Chen, Hao; Yang, Cai-Yan; Rong, Guang-Qing; Zhao, Yong; Xu, Hong-Bo; Wang, Hao; Zhou, Ning-Jia; Ma, Yun-Bao; Huang, Xiao-Yan; Chen, Ji-Jun","(±)-Paeoveitol, a Pair of New Norditerpene Enantiomers from Paeonia veitchii.","Organic letters","2014","16","2","424","427","10.1021/ol403315d","","","0.71073","MoKα","","0.0637","0.0456","","","0.1121","0.1229","","","","","","1.025","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513416","18.304","0.004","9.949","0.002","18.495","0.004","90","","108.29","0.03","90","","3197.9","1.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H22 Cl6 N4 O4 -","- C35 H22 Cl6 N4 O4 -","- C140 H88 Cl24 N16 O16 -","4","1","","Gao, Jing; Xiao, Chengyi; Jiang, Wei; Wang, Zhaohui","Cyano-Substituted Perylene Diimides with Linearly Correlated LUMO Levels.","Organic letters","2014","16","2","394","397","10.1021/ol403250r","","","0.71073","MoKα","","0.0913","0.0725","","","0.2354","0.2748","","","","","","1.165","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513417","19.123","0.004","14.721","0.003","12.535","0.003","90","","129.2","0.03","90","","2734.6","1.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 Cl4 N2 O4 -","- C32 H22 Cl4 N2 O4 -","- C128 H88 Cl16 N8 O16 -","4","0.5","","Gao, Jing; Xiao, Chengyi; Jiang, Wei; Wang, Zhaohui","Cyano-Substituted Perylene Diimides with Linearly Correlated LUMO Levels.","Organic letters","2014","16","2","394","397","10.1021/ol403250r","","","0.71073","MoKα","","0.061","0.0534","","","0.1104","0.1141","","","","","","1.165","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513418","10.727","0.002","10.905","0.002","26.433","0.005","90","","90","","90","","3092.1","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H18 Cl4 N6 O4 -","- C36 H18 Cl4 N6 O4 -","- C144 H72 Cl16 N24 O16 -","4","1","","Gao, Jing; Xiao, Chengyi; Jiang, Wei; Wang, Zhaohui","Cyano-Substituted Perylene Diimides with Linearly Correlated LUMO Levels.","Organic letters","2014","16","2","394","397","10.1021/ol403250r","","","0.71073","MoKα","","0.0838","0.0803","","","0.1854","0.1886","","","","","","1.117","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513419","9.0233","0.0018","10.762","0.002","15.855","0.003","72.77","0.03","81.25","0.03","83.83","0.03","1450.3","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H21 Cl4 N3 O4 -","- C33 H21 Cl4 N3 O4 -","- C66 H42 Cl8 N6 O8 -","2","1","","Gao, Jing; Xiao, Chengyi; Jiang, Wei; Wang, Zhaohui","Cyano-Substituted Perylene Diimides with Linearly Correlated LUMO Levels.","Organic letters","2014","16","2","394","397","10.1021/ol403250r","","","0.71073","MoKα","","0.2113","0.1785","","","0.4039","0.4306","","","","","","2.275","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513420","14.709","0.003","24.134","0.005","8.1174","0.0016","90","","90.06","0.03","90","","2881.6","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H20 Cl4 N4 O4 -","- C34 H20 Cl4 N4 O4 -","- C136 H80 Cl16 N16 O16 -","4","1","","Gao, Jing; Xiao, Chengyi; Jiang, Wei; Wang, Zhaohui","Cyano-Substituted Perylene Diimides with Linearly Correlated LUMO Levels.","Organic letters","2014","16","2","394","397","10.1021/ol403250r","","","0.71073","MoKα","","0.1309","0.0951","","","0.1692","0.185","","","","","","1.115","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513421","12.8224","0.0003","14.2116","0.0003","18.3477","0.0004","98.9303","0.0018","107.07","0.002","101.931","0.002","3042.64","0.13","160","1","160","1","","","","","","","","6","P -1","-P 1","2","","","","- C58 H55 Cl13 N2 O7.5 P -","- C52 H40 Cl13 N2 O6 P -","- C104 H80 Cl26 N4 O12 P2 -","2","1","","Véron, Anna C; Zhang, Hui; Linden, Anthony; Nüesch, Frank; Heier, Jakob; Hany, Roland; Geiger, Thomas","NIR-Absorbing Heptamethine Dyes with Tailor-Made Counterions for Application in Light to Energy Conversion.","Organic letters","2014","16","4","1044","1047","10.1021/ol4034385","","","1.54184","CuKα","","0.0776","0.0643","","","0.1714","0.1825","","","","","","1","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513422","8.4401","0.0003","24.4463","0.0015","31.1399","0.0011","90","","94.948","0.003","90","","6401.1","0.5","160","2","160","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C34 H40 Cl F6 N2 P -","- C34 H40 Cl F6 N2 P -","- C272 H320 Cl8 F48 N16 P8 -","8","4","","Véron, Anna C; Zhang, Hui; Linden, Anthony; Nüesch, Frank; Heier, Jakob; Hany, Roland; Geiger, Thomas","NIR-Absorbing Heptamethine Dyes with Tailor-Made Counterions for Application in Light to Energy Conversion.","Organic letters","2014","16","4","1044","1047","10.1021/ol4034385","","","0.71073","MoKα","","0.0696","0.0559","","","0.1377","0.1467","","","","","","1.01","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513423","8.6482","0.0004","22.5718","0.0012","11.0285","0.0007","90","","104.935","0.006","90","","2080.1","0.2","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N2 O2 S -","- C24 H22 N2 O2 S -","- C96 H88 N8 O8 S4 -","4","1","","Xing, Yanpeng; Sheng, Guorong; Wang, Jing; Lu, Ping; Wang, Yanguang","Preparation of Triazoloindoles via Tandem Copper Catalysis and Their Utility as α-Imino Rhodium Carbene Precursors.","Organic letters","2014","16","4","1244","1247","10.1021/ol5002347","","","0.71073","MoKα","","0.0582","0.0417","","","0.0986","0.1099","","","","","","1.058","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513424","12.2997","0.0005","13.4444","0.0005","15.1233","0.0007","90","","103.646","0.004","90","","2430.23","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 N3 O2 S -","- C29 H25 N3 O2 S -","- C116 H100 N12 O8 S4 -","4","1","","Xing, Yanpeng; Sheng, Guorong; Wang, Jing; Lu, Ping; Wang, Yanguang","Preparation of Triazoloindoles via Tandem Copper Catalysis and Their Utility as α-Imino Rhodium Carbene Precursors.","Organic letters","2014","16","4","1244","1247","10.1021/ol5002347","","","0.71073","MoKα","","0.0766","0.0505","","","0.1242","0.1425","","","","","","1.019","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513425","11.4322","0.0007","22.0069","0.0012","8.2441","0.0005","90","","98.244","0.007","90","","2052.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N2 O2 S -","- C25 H22 N2 O2 S -","- C100 H88 N8 O8 S4 -","4","1","","Xing, Yanpeng; Sheng, Guorong; Wang, Jing; Lu, Ping; Wang, Yanguang","Preparation of Triazoloindoles via Tandem Copper Catalysis and Their Utility as α-Imino Rhodium Carbene Precursors.","Organic letters","2014","16","4","1244","1247","10.1021/ol5002347","","","0.71073","MoKα","","0.0878","0.0516","","","0.1133","0.1329","","","","","","1.016","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513426","11.4547","0.0003","13.3323","0.0004","48.8967","0.0014","90","","90","","90","","7467.4","0.4","100","","100","","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H40 N O5 P -","- C46 H40 N O5 P -","- C368 H320 N8 O40 P8 -","8","2","","Morin, Marie S. T.; Arndtsen, Bruce A.","Chiral phosphorus-based 1,3-dipoles: a modular approach to enantioselective 1,3-dipolar cycloaddition and polycyclic 2-pyrroline synthesis.","Organic letters","2014","16","4","1056","1059","10.1021/ol4035512","","","1.54178","CuKα","","0.0974","0.0685","","","0.1531","0.1694","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513427","15.7825","0.0002","5.8322","0.0001","18.8095","0.0002","90","","113.102","0.001","90","","1592.51","0.04","100","","100","","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C20 H23 N O -","- C20 H23 N O -","- C80 H92 N4 O4 -","4","2","","Morin, Marie S. T.; Arndtsen, Bruce A.","Chiral phosphorus-based 1,3-dipoles: a modular approach to enantioselective 1,3-dipolar cycloaddition and polycyclic 2-pyrroline synthesis.","Organic letters","2014","16","4","1056","1059","10.1021/ol4035512","","","1.54178","CuKα","","0.0281","0.028","","","0.0722","0.0723","","","","","","1.061","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513428","8.5432","0.0002","16.2125","0.0004","11.468","0.0005","90","","90.352","0.002","90","","1588.36","0.09","150.01","0.1","150.01","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C26 H30 F6 Mn N6 O6 S2 -","- C26 H30 F6 Mn N6 O6 S2 -","- C52 H60 F12 Mn2 N12 O12 S4 -","2","1","","Shen, Duyi; Miao, Chengxia; Wang, Shoufeng; Xia, Chungu; Sun, Wei","Efficient benzylic and aliphatic C-h oxidation with selectivity for methylenic sites catalyzed by a bioinspired manganese complex.","Organic letters","2014","16","4","1108","1111","10.1021/ol4037083","","","0.7107","MoKα","","0.0354","0.0324","","","0.0698","0.0717","","","","","","1.025","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513429","9.953","0.002","18.073","0.004","18.081","0.004","116.66","0.03","100.49","0.03","100.58","0.03","2724.7","1.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H17 N S -","- C24 H17 N S -","- C144 H102 N6 S6 -","6","3","","Zhao, Peng; Yan, Xiaoyu; Yin, Hang; Xi, Chanjuan","Alkyltriflate-Triggered Annulation of Arylisothiocyanates and Alkynes Leading to Multiply Substituted Quinolines through Domino Electrophilic Activation.","Organic letters","2014","16","4","1120","1123","10.1021/ol500221u","","","0.71073","MoKα","","","0.0502","","","0.1213","0.1249","","","","","","1.038","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513430","11.406","0.002","6.9954","0.0014","16.879","0.003","90","","91.93","0.03","90","","1346","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Br N S -","- C16 H12 Br N S -","- C64 H48 Br4 N4 S4 -","4","1","","Zhao, Peng; Yan, Xiaoyu; Yin, Hang; Xi, Chanjuan","Alkyltriflate-Triggered Annulation of Arylisothiocyanates and Alkynes Leading to Multiply Substituted Quinolines through Domino Electrophilic Activation.","Organic letters","2014","16","4","1120","1123","10.1021/ol500221u","","","0.71073","MoKα","","","0.0325","","","0.0695","0.0711","","","","","","1.146","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513431","22.58","0.005","11.871","0.002","16.728","0.003","90","","124.64","0.03","90","","3689.1","1.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H20 N O S -","- C23 H20 N O S -","- C184 H160 N8 O8 S8 -","8","1","","Zhao, Peng; Yan, Xiaoyu; Yin, Hang; Xi, Chanjuan","Alkyltriflate-Triggered Annulation of Arylisothiocyanates and Alkynes Leading to Multiply Substituted Quinolines through Domino Electrophilic Activation.","Organic letters","2014","16","4","1120","1123","10.1021/ol500221u","","","0.71073","MoKα","","","0.1116","","","0.1795","0.1972","","","","","","1.187","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513432","18.4649","0.0005","7.9164","0.0002","11.5345","0.0009","90","","94.47","0.004","90","","1680.93","0.15","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Cl N2 O -","- C20 H15 Cl N2 O -","- C80 H60 Cl4 N8 O4 -","4","1","","Takahashi, Hiroki; Yasui, Seiji; Tsunoi, Shinji; Shibata, Ikuya","Catalytic cycloaddition of 2-methyleneaziridines with 1,1-dicyanoalkenes.","Organic letters","2014","16","4","1192","1195","10.1021/ol500062a","","","1.54187","CuKα","","","0.0728","","","","0.2357","","","","","","0.594","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513433","6.0877","0.0003","10.9989","0.0008","11.2984","0.0009","83.29","0.006","87.571","0.005","83.717","0.006","746.49","0.09","291","2","291.15","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C36 H28 N4 O6 -","2","1","","Hao, Xin-Qi; Chen, Li-Juan; Ren, Baozeng; Li, Liu-Yan; Yang, Xin-Yan; Gong, Jun-Fang; Niu, Jun-Long; Song, Mao-Ping","Copper-mediated direct aryloxylation of benzamides assisted by an n,o-bidentate directing group.","Organic letters","2014","16","4","1104","1107","10.1021/ol500166d","","","0.7107","MoKα","","0.0677","0.0445","","","0.0991","0.1114","","","","","","1.039","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513434","7.2876","0.0007","12.0282","0.0012","12.8131","0.0019","115.87","0.012","93.712","0.01","98.655","0.008","988.3","0.2","291","2","291.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 N2 O4 -","- C24 H18 N2 O4 -","- C48 H36 N4 O8 -","2","1","","Hao, Xin-Qi; Chen, Li-Juan; Ren, Baozeng; Li, Liu-Yan; Yang, Xin-Yan; Gong, Jun-Fang; Niu, Jun-Long; Song, Mao-Ping","Copper-mediated direct aryloxylation of benzamides assisted by an n,o-bidentate directing group.","Organic letters","2014","16","4","1104","1107","10.1021/ol500166d","","","0.7107","MoKα","","0.0789","0.053","","","0.1235","0.1398","","","","","","1.038","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513435","11.015","0.008","12.485","0.01","13.435","0.01","102.315","0.01","110.462","0.008","93.671","0.009","1672","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H33 F3 N O4 Rh S -","- C37 H32 F3 N O4 Rh S -","- C74 H64 F6 N2 O8 Rh2 S2 -","2","1","","Yu, Songjie; Li, Xingwei","Mild Synthesis of Chalcones via Rhodium(III)-Catalyzed C-C Coupling of Arenes and Cyclopropenones.","Organic letters","2014","16","4","1220","1223","10.1021/ol500140e","","","0.71073","MoKα","","0.1648","0.0957","","","0.1815","0.1974","","","","","","1.131","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513436","10.7315","0.0004","13.8056","0.0005","14.032","0.0005","89.874","0.002","88.794","0.002","68.616","0.002","1935.33","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 N O -","- C26 H19 N O -","- C104 H76 N4 O4 -","4","2","","Yu, Songjie; Li, Xingwei","Mild Synthesis of Chalcones via Rhodium(III)-Catalyzed C-C Coupling of Arenes and Cyclopropenones.","Organic letters","2014","16","4","1220","1223","10.1021/ol500140e","","","0.71073","MoKα","","0.0497","0.0386","","","0.1036","0.1102","","","","","","1.002","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513437","8.9589","0.0003","9.9488","0.0004","10.2552","0.0004","115.145","0.0011","98.6848","0.0012","96.7865","0.0012","800.79","0.05","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 O3 -","- C21 H18 O3 -","- C42 H36 O6 -","2","1","","Teo, Wan Teng; Rao, Weidong; Ng, Charmaine Jia Huan; Koh, Shaun Wei Yong; Chan, Philip Wai Hong","Gold-Catalyzed Benzannulation of 5-Hydroxy-3-oxoalk-6-ynoate Esters to o-Phenolic Esters.","Organic letters","2014","16","4","1248","1251","10.1021/ol5002363","","","0.71073","MoKα","","0.0473","0.0391","","","0.1096","0.1257","","","","","","1.075","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513438","9.7909","0.0003","9.9299","0.0003","15.0054","0.0005","90","","108.195","0.001","90","","1385.92","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 F3 N4 O2 S -","- C12 H11 F3 N4 O2 S -","- C48 H44 F12 N16 O8 S4 -","4","1","","Qiao, Zongjun; Wei, Jianpeng; Jiang, Xuefeng","Direct Cross-Coupling Access to Diverse Aromatic Sulfide: Palladium-Catalyzed Double C-S Bond Construction Using Na2S2O3 as a Sulfurating Reagent.","Organic letters","2014","16","4","1212","1215","10.1021/ol500112y","","","0.71073","MoKα","","0.075","0.0661","","","0.191","0.2036","","","","","","1.066","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513439","13.224","0.002","6.1677","0.001","22.599","0.003","90","","118.413","0.009","90","","1621.2","0.4","100","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tert-butyl 2-methyl-5-(o-tolyl)piperazine-1-carboxylate","","- C17 H26 N2 O2 -","- C17 H26 N2 O2 -","- C68 H104 N8 O8 -","4","1","","Luescher, Michael U.; Vo, Cam-Van T; Bode, Jeffrey W.","SnAP Reagents for the Synthesis of Piperazines and Morpholines.","Organic letters","2014","16","4","1236","1239","10.1021/ol500210z","","x-ray","0.71073","MoKα","K-L~3~","0.1148","0.0666","","","0.1598","0.1871","","","","","","1.004","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513440","9.62","0.002","6.3559","0.0012","20.787","0.004","90","","107.642","0.008","90","","1211.2","0.4","100","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N-dimethyl-4-(6-methylmorpholin-3-yl)aniline","","- C13 H20 N2 O -","- C13 H20 N2 O -","- C52 H80 N8 O4 -","4","1","","Luescher, Michael U.; Vo, Cam-Van T; Bode, Jeffrey W.","SnAP Reagents for the Synthesis of Piperazines and Morpholines.","Organic letters","2014","16","4","1236","1239","10.1021/ol500210z","","x-ray","0.71073","MoKα","K-L~3~","0.078","0.0509","","","0.1239","0.1382","","","","","","1.039","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513441","10.1265","0.0002","10.6178","0.0002","18.064","0.0003","90","","90","","90","","1942.26","0.06","150","2","150","2","","","","","","","synthesized by the authors","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 N3 O2 -","- C20 H29 N3 O2 -","- C80 H116 N12 O8 -","4","1","","Kapras, Vojtěch; Pohl, Radek; Císařová, Ivana; Jahn, Ullrich","Asymmetric Domino Aza-Michael Addition/[3 + 2] Cycloaddition Reactions as a Versatile Approach to α,β,γ-Triamino Acid Derivatives.","Organic letters","2014","16","4","1088","1091","10.1021/ol403660w","","","0.71073","MoKα","","0.0392","0.0341","","","0.0817","0.0847","","","","","","1.028","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513442","8.2352","0.0002","9.944","0.0002","23.9419","0.0006","90","","90","","90","","1960.62","0.08","150","2","150","2","","","","","","","synthesized by the authors","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 N3 O2 -","- C20 H29 N3 O2 -","- C80 H116 N12 O8 -","4","1","","Kapras, Vojtěch; Pohl, Radek; Císařová, Ivana; Jahn, Ullrich","Asymmetric Domino Aza-Michael Addition/[3 + 2] Cycloaddition Reactions as a Versatile Approach to α,β,γ-Triamino Acid Derivatives.","Organic letters","2014","16","4","1088","1091","10.1021/ol403660w","","","0.71073","MoKα","","0.032","0.0304","","","0.0783","0.0797","","","","","","1.021","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513443","15.6508","0.0006","6.3555","0.0003","24.6704","0.0012","90","","101.826","0.002","90","","2401.85","0.19","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H32 N O2.5 S Si -","- C24 H32 N O2.5 S Si -","- C96 H128 N4 O10 S4 Si4 -","4","2","","Fustero, Santos; Lázaro, Rubén; Aiguabella, Nuria; Riera, Antoni; Simón-Fuentes, Antonio; Barrio, Pablo","Asymmetric allylation/Pauson-Khand reaction: a simple entry to polycyclic amines. Application to the synthesis of aminosteroid analogues","Organic Letters","2014","16","4","1224","1227","10.1021/ol500142c","","","0.71073","MoKα","","0.042","0.0354","","","0.0969","0.111","","","","","","1.083","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513444","5.86956","0.00007","16.1458","0.0002","22.8868","0.0003","90","","90","","90","","2168.95","0.05","100.3","0.6","100.3","0.6","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N O3 S -","- C24 H29 N O3 S -","- C96 H116 N4 O12 S4 -","4","1","","Fustero, Santos; Lázaro, Rubén; Aiguabella, Nuria; Riera, Antoni; Simón-Fuentes, Antonio; Barrio, Pablo","Asymmetric allylation/Pauson-Khand reaction: a simple entry to polycyclic amines. Application to the synthesis of aminosteroid analogues","Organic Letters","2014","16","4","1224","1227","10.1021/ol500142c","","x-ray","1.54184","CuKα","","0.0261","0.0254","","","0.066","0.0666","","","","","","1.052","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513445","33.2464","0.0015","6.863","0.0005","31.448","0.002","90","","109.185","0.003","90","","6777","0.7","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","2011mg01mcf01","","","- C70 H78 N2 -","- C70 H78 N2 -","- C280 H312 N8 -","4","1","","Castro-Fernández, Silvia; Lahoz, Inmaculada R.; Llamas-Saiz, Antonio L; Alonso-Gómez, José Lorenzo; Cid, María-Magdalena; Navarro-Vázquez, Armando","Preparation and Characterization of a Halogen-Bonded Shape-Persistent Chiral Alleno-acetylenic Inclusion Complex.","Organic letters","2014","16","4","1136","1139","10.1021/ol403778f","","x-ray","1.54178","CuKα","","0.0911","0.0561","","","0.1434","0.1582","","","","","","0.93","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513446","14.078","0.002","15.968","0.003","16.71","0.003","107.796","0.004","101.993","0.005","90.015","0.005","3490.3","1","100","2","100","2","","","","","","","","5","P 1","P 1","1","14_2_hb","","","- C74 H78 F8 I2 N2 -","- C74 H78 F8 I2 N2 -","- C148 H156 F16 I4 N4 -","2","2","","Castro-Fernández, Silvia; Lahoz, Inmaculada R.; Llamas-Saiz, Antonio L; Alonso-Gómez, José Lorenzo; Cid, María-Magdalena; Navarro-Vázquez, Armando","Preparation and Characterization of a Halogen-Bonded Shape-Persistent Chiral Alleno-acetylenic Inclusion Complex.","Organic letters","2014","16","4","1136","1139","10.1021/ol403778f","","x-ray","0.71073","MoKα","","0.1306","0.0745","","","0.1756","0.208","","","","","","1.008","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513447","8.891","0.0003","9.473","0.0002","9.472","0.0003","90","","110.488","0.001","90","","747.31","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C32 H36 N4 O6 -","2","1","","Holmquist, Melireth; Blay, Gonzalo; Muñoz, M Carmen; Pedro, José R","Enantioselective addition of nitromethane to 2-acylpyridine N-oxides. Expanding the generation of quaternary stereocenters with the Henry reaction.","Organic letters","2014","16","4","1204","1207","10.1021/ol500082d","","","0.71073","MoKα","","0.091","0.0486","","","0.1125","0.1465","","","","","","0.997","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513448","9.5602","0.0008","10.0738","0.0008","20.0433","0.0016","90","","103.413","0.003","90","","1877.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H56 Cu2 I2 N2 P2 -","- C32 H56 Cu2 I2 N2 P2 -","- C64 H112 Cu4 I4 N4 P4 -","2","0.5","","Gurung, Santosh K.; Thapa, Surendra; Kafle, Arjun; Dickie, Diane A.; Giri, Ramesh","Copper-Catalyzed Suzuki-Miyaura Coupling of Arylboronate Esters: Transmetalation with (PN)CuF and Identification of Intermediates.","Organic letters","2014","16","4","1264","1267","10.1021/ol500310u","","","0.71073","MoKα","","0.0244","0.0192","","","0.0429","0.045","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513449","8.4927","0.0013","8.7287","0.0015","12.6862","0.0018","86.989","0.011","76.97","0.011","68.516","0.01","852.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H56 Cu2 F2 N2 P2 -","- C32 H56 Cu2 F2 N2 P2 -","- C32 H56 Cu2 F2 N2 P2 -","1","0.5","","Gurung, Santosh K.; Thapa, Surendra; Kafle, Arjun; Dickie, Diane A.; Giri, Ramesh","Copper-Catalyzed Suzuki-Miyaura Coupling of Arylboronate Esters: Transmetalation with (PN)CuF and Identification of Intermediates.","Organic letters","2014","16","4","1264","1267","10.1021/ol500310u","","","0.71073","MoKα","","0.0628","0.0436","","","0.0869","0.094","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513450","18.6292","0.0013","9.3181","0.0008","12.5012","0.0009","90","","90","","90","","2170.1","0.3","101","2","101","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H33 Cu N P -","- C22 H33 Cu N P -","- C88 H132 Cu4 N4 P4 -","4","1","","Gurung, Santosh K.; Thapa, Surendra; Kafle, Arjun; Dickie, Diane A.; Giri, Ramesh","Copper-Catalyzed Suzuki-Miyaura Coupling of Arylboronate Esters: Transmetalation with (PN)CuF and Identification of Intermediates.","Organic letters","2014","16","4","1264","1267","10.1021/ol500310u","","","0.71073","MoKα","","0.1178","0.0629","","","0.1114","0.1249","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513451","30.1051","0.0006","30.0687","0.0006","7.05381","0.00016","90","","90","","90","","6385.3","0.2","120","2","120","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C18 H15 N O7 -","- C18 H15 N O7 -","- C288 H240 N16 O112 -","16","2","","Jolibois, Alexandre E. R.; Lewis, William; Moody, Christopher J.","Total synthesis of (±)-distomadines a and B.","Organic letters","2014","16","4","1064","1067","10.1021/ol403598k","","x-ray","1.54184","CuKα","","0.0448","0.0358","","","0.0884","0.0933","","","","","","1.03","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513452","8.2246","0.0005","10.2692","0.0006","19.3753","0.0013","87.895","0.005","83.248","0.005","88.205","0.005","1623.39","0.18","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H36 D4 N4 O12 -","- C30 H36 N4 O11 -","- C60 H72 N8 O22 -","2","1","","Jolibois, Alexandre E. R.; Lewis, William; Moody, Christopher J.","Total synthesis of (±)-distomadines a and B.","Organic letters","2014","16","4","1064","1067","10.1021/ol403598k","","x-ray","1.54184","CuKα","","0.0888","0.0712","","","0.1803","0.1941","","","","","","1.079","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513453","7.8031","0.0004","9.1491","0.0005","16.0757","0.0007","77.259","0.004","83.756","0.004","78.585","0.005","1094.72","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 N O7 -","- C26 H25 N O7 -","- C52 H50 N2 O14 -","2","1","","Jolibois, Alexandre E. R.; Lewis, William; Moody, Christopher J.","Total synthesis of (±)-distomadines a and B.","Organic letters","2014","16","4","1064","1067","10.1021/ol403598k","","x-ray","1.54184","CuKα","K-L~2,3~","0.0393","0.0368","","","0.0944","0.0964","","","","","","1.043","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513454","10.2556","0.0007","24.4715","0.0015","9.0713","0.0008","90","","106.55","0.008","90","","2182.3","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 O3 -","- C28 H24 O3 -","- C112 H96 O12 -","4","1","","Shen, Ruwei; Chen, Ke; Deng, Qiulin; Yang, Jianjun; Zhang, Lixiong","Highly Stereoselective Generation of Complex Oxy-Bicyclic Scaffolds via an Atom-Economic Pd(II)-Catalyzed Hydroalkynylation, Isomerization and Diels-Alder Cycloaddition Sequence.","Organic letters","2014","16","4","1208","1211","10.1021/ol500101b","","","0.71073","MoKα","","0.0807","0.0472","","","0.1001","0.1146","","","","","","1.017","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513455","14.8441","0.0007","7.7448","0.0003","18.0075","0.0009","90","","113.215","0.001","90","","1902.6","0.15","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O4 -","- C24 H23 N O4 -","- C96 H92 N4 O16 -","4","1","","Viswambharan, Baby; Gori, Didier; Guillot, Régis; Kouklovsky, Cyrille; Alezra, Valérie","Substrate Control in Enantioselective and Diastereoselective Aldol Reaction by Memory of Chirality: A Rapid Access to Enantiopure β-Hydroxy Quaternary α-Amino Acids.","Organic letters","2014","16","3","788","791","10.1021/ol403523e","","x-ray","0.71073","MoKα","","0.0704","0.0452","","","0.1072","0.1226","","","","","","1.001","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513456","8.0051","0.0002","17.9833","0.0006","28.7749","0.001","90","","90","","90","","4142.4","0.2","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 Br N O4 -","- C24 H22 Br N O4 -","- C192 H176 Br8 N8 O32 -","8","2","","Viswambharan, Baby; Gori, Didier; Guillot, Régis; Kouklovsky, Cyrille; Alezra, Valérie","Substrate Control in Enantioselective and Diastereoselective Aldol Reaction by Memory of Chirality: A Rapid Access to Enantiopure β-Hydroxy Quaternary α-Amino Acids.","Organic letters","2014","16","3","788","791","10.1021/ol403523e","","x-ray","0.71073","MoKα","","0.0483","0.0353","","","0.0728","0.0758","","","","","","0.989","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513457","9.9229","0.0003","10.8841","0.0003","9.9414","0.0003","90","","99.819","0.001","90","","1057.96","0.05","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H22 Br N O4 -","- C24 H22 Br N O4 -","- C48 H44 Br2 N2 O8 -","2","1","","Viswambharan, Baby; Gori, Didier; Guillot, Régis; Kouklovsky, Cyrille; Alezra, Valérie","Substrate Control in Enantioselective and Diastereoselective Aldol Reaction by Memory of Chirality: A Rapid Access to Enantiopure β-Hydroxy Quaternary α-Amino Acids.","Organic letters","2014","16","3","788","791","10.1021/ol403523e","","x-ray","0.71073","MoKα","","0.0309","0.0264","","","0.0609","0.0625","","","","","","1.033","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513458","9.4102","0.0003","10.467","0.0004","10.3023","0.0004","90","","98.469","0.001","90","","1003.68","0.06","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H22 F N O4 -","- C24 H22 F N O4 -","- C48 H44 F2 N2 O8 -","2","1","","Viswambharan, Baby; Gori, Didier; Guillot, Régis; Kouklovsky, Cyrille; Alezra, Valérie","Substrate Control in Enantioselective and Diastereoselective Aldol Reaction by Memory of Chirality: A Rapid Access to Enantiopure β-Hydroxy Quaternary α-Amino Acids.","Organic letters","2014","16","3","788","791","10.1021/ol403523e","","x-ray","0.71073","MoKα","","0.0378","0.0345","","","0.0866","0.0895","","","","","","1.031","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513459","8.3847","0.0002","26.3518","0.0009","8.3634","0.0003","90","","90","","90","","1847.91","0.1","100","1","100","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C22 H21 N O5 -","- C22 H21 N O5 -","- C88 H84 N4 O20 -","4","1","","Viswambharan, Baby; Gori, Didier; Guillot, Régis; Kouklovsky, Cyrille; Alezra, Valérie","Substrate Control in Enantioselective and Diastereoselective Aldol Reaction by Memory of Chirality: A Rapid Access to Enantiopure β-Hydroxy Quaternary α-Amino Acids.","Organic letters","2014","16","3","788","791","10.1021/ol403523e","","x-ray","0.71073","MoKα","","0.0391","0.0353","","","0.0881","0.0903","","","","","","1.055","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513460","9.2689","0.0003","11.8049","0.0003","29.331","0.0008","90","","90","","90","","3209.35","0.16","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H36 N2 O4 S -","- C37 H36 N2 O4 S -","- C148 H144 N8 O16 S4 -","4","1","","Rao, V. U. Bhaskara; Jadhav, Amol P.; Garad, Dnyaneshwar; Singh, Ravi P.","Asymmetric Vinylogous Mannich Reaction of Silyloxy Furans with N-tert-Butanesulfinyl Ketimines.","Organic letters","2014","16","3","648","651","10.1021/ol4037117","","","0.71073","MoKα","","0.0551","0.0426","","","0.104","0.1109","","","","","","1.02","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513461","5.119","0.002","8.73","0.003","14.233","0.006","74.729","0.005","80.666","0.005","79.881","0.005","599.5","0.4","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 F3 O2 S -","- C13 H9 F3 O2 S -","- C26 H18 F6 O4 S2 -","2","1","","Yasu, Yusuke; Arai, Yusuke; Tomita, Ren; Koike, Takashi; Akita, Munetaka","Highly Regio- and Diastereoselective Synthesis of CF3-Substituted Lactones via Photoredox-Catalyzed Carbolactonization of Alkenoic Acids.","Organic letters","2014","16","3","780","783","10.1021/ol403500y","","","0.71073","MoKα","","0.0599","0.0447","","","0.1175","0.1234","","","","","","1.1","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513462","9.664","0.002","10.003","0.002","14.245","0.003","90","","109.73","0.003","90","","1296.2","0.5","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 F3 O2 -","- C14 H15 F3 O2 -","- C56 H60 F12 O8 -","4","2","","Yasu, Yusuke; Arai, Yusuke; Tomita, Ren; Koike, Takashi; Akita, Munetaka","Highly Regio- and Diastereoselective Synthesis of CF3-Substituted Lactones via Photoredox-Catalyzed Carbolactonization of Alkenoic Acids.","Organic letters","2014","16","3","780","783","10.1021/ol403500y","","","0.71073","MoKα","","0.0713","0.0485","","","0.1167","0.1238","","","","","","1.076","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513463","5.1782","0.0005","11.752","0.0011","14.9599","0.0014","69.088","0.005","80.195","0.006","83.679","0.006","836.78","0.14","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H18 O4 -","- C23 H18 O4 -","- C46 H36 O8 -","2","1","","Bhojgude, Sachin Suresh; Bhunia, Anup; Gonnade, Rajesh G.; Biju, Akkattu T.","Efficient synthesis of 9-aryldihydrophenanthrenes by a cascade reaction involving arynes and styrenes.","Organic letters","2014","16","3","676","679","10.1021/ol4033094","","","0.71073","MoKα","","0.0729","0.0547","","","0.1274","0.1365","","","","","","1.05","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513464","31.361","0.005","5.4611","0.0008","13.461","0.002","90","","91.404","0.004","90","","2304.7","0.6","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H23 Br O3 S -","- C27 H23 Br O3 S -","- C108 H92 Br4 O12 S4 -","4","1","","Wang, Shengzheng; Zhang, Yongqiang; Dong, Guoqiang; Wu, Shanchao; Fang, Kun; Li, Zhengang; Miao, Zhenyuan; Yao, Jianzhong; Li, Hao; Li, Jian; Zhang, Wannian; Wang, Wei; Sheng, Chunquan","Facile Assembly of Chiral Tetrahydrothiopyrans Containing Four Consecutive Stereocenters via an Organocatalytic Enantioselective Michael-Michael Cascade.","Organic letters","2014","16","3","692","695","10.1021/ol4033557","","","0.71073","MoKα","","0.0345","0.0289","","","0.0785","0.0802","","","","","","1.026","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513465","14.6574","0.0007","15.6368","0.0007","17.2398","0.0007","98.501","0.002","92.026","0.002","92.976","0.003","3898.9","0.3","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C91.5 H93.48 N6 O2 Zn -","- C91.5 H93.482 N6 O2 Zn -","- C183 H186.964 N12 O4 Zn2 -","2","1","","Fujimoto, Keisuke; Yorimitsu, Hideki; Osuka, Atsuhiro","Facile Preparation of β-Haloporphyrins as Useful Precursors of β-Substituted Porphyrins.","Organic letters","2014","16","3","972","975","10.1021/ol4037049","","","1.54187","CuKα","","0.1765","0.1","","","0.2378","0.3082","","","","","","1.07","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513466","13.0277","0.0002","17.4618","0.0003","15.417","0.0003","90","","112.166","0.001","90","","3247.97","0.1","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C70 H82 I2 N4 O Zn -","- C70 H82 I2 N4 O Zn -","- C140 H164 I4 N8 O2 Zn2 -","2","1","","Fujimoto, Keisuke; Yorimitsu, Hideki; Osuka, Atsuhiro","Facile Preparation of β-Haloporphyrins as Useful Precursors of β-Substituted Porphyrins.","Organic letters","2014","16","3","972","975","10.1021/ol4037049","","","1.54187","CuKα","","0.0658","0.0627","","","0.1529","0.1571","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513467","9.4123","0.0002","18.6641","0.0003","20.8623","0.0004","111.756","0.0008","102.842","0.0008","97.3951","0.0011","3227.3","0.11","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H79 Cl3 N7 O Zn -","- C69 H79 Cl3 N7 O Zn -","- C138 H158 Cl6 N14 O2 Zn2 -","2","1","","Fujimoto, Keisuke; Yorimitsu, Hideki; Osuka, Atsuhiro","Facile Preparation of β-Haloporphyrins as Useful Precursors of β-Substituted Porphyrins.","Organic letters","2014","16","3","972","975","10.1021/ol4037049","","","1.54187","CuKα","","0.0918","0.0683","","","0.1833","0.2106","","","","","","1.033","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513468","13.995","0.011","10.384","0.009","18.902","0.015","90","","101.9","0.011","90","","2688","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H27 Cl N2 O4 S -","- C30 H27 Cl N2 O4 S -","- C120 H108 Cl4 N8 O16 S4 -","4","1","","Zheng, Chen; Chen, Jin Jin; Fan, Renhua","Dearomatization Strategy and Palladium-Catalyzed Domino Reaction: Construction of Azepino[5,4,3-cd]indoles from 2-Alkynylanilines.","Organic letters","2014","16","3","816","819","10.1021/ol403557q","","","0.71073","MoKα","","0.071","0.0491","","","0.1186","0.1266","","","","","","0.919","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513469","11.1314","0.0008","11.2899","0.0008","12.8198","0.0008","97.378","0.003","98.233","0.003","107.436","0.003","1495.98","0.18","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","bis(CF3)PDI","N,N'-(1-cyclohexyl)-1,7-(trifluoromethyl) perylenetetracarboxylic diimide","","- C38 H28 F6 N2 O4 -","- C38 H28 F6 N2 O4 -","- C76 H56 F12 N4 O8 -","2","1","","Roznyatovskiy, Vladimir V.; Gardner, Daniel M.; Eaton, Samuel W.; Wasielewski, Michael R.","Radical anions of trifluoromethylated perylene and naphthalene imide and diimide electron acceptors.","Organic letters","2014","16","3","696","699","10.1021/ol403736m","","","1.54178","CuKα","","0.0307","0.028","","","0.0742","0.0765","","","","","","1.031","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513470","4.9874","0.0007","8.9169","0.0013","16.946","0.002","85.639","0.004","82.595","0.004","81.82","0.004","738.46","0.17","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","bis(CF3)NDI","N,N'-(n-octyl)-2,6-trifluoromethyl- 1,4,5,8-naphthalenetetracarboxylic diimide","","- C32 H36 F6 N2 O4 -","- C32 H36 F6 N2 O4 -","- C32 H36 F6 N2 O4 -","1","0.5","","Roznyatovskiy, Vladimir V.; Gardner, Daniel M.; Eaton, Samuel W.; Wasielewski, Michael R.","Radical anions of trifluoromethylated perylene and naphthalene imide and diimide electron acceptors.","Organic letters","2014","16","3","696","699","10.1021/ol403736m","","","1.54178","CuKα","","0.0286","0.0283","","","0.0791","0.0793","","","","","","1.06","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513471","3.8624","0.0006","15.954","0.003","20.21","0.003","90","","94.944","0.003","90","","1240.7","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Pyrone","ethyl 6-(4-methoxyphenyl)-2-oxo-2H-pyran-5-carboxylate","","- C15 H14 O5 -","- C15 H14 O5 -","- C60 H56 O20 -","4","1","","Manikandan, Rajendran; Jeganmohan, Masilamani","Ruthenium-Catalyzed Dimerization of Propiolates: A Simple Route to α-Pyrones.","Organic letters","2014","16","3","652","655","10.1021/ol4035929","","","0.71073","MoKα","","0.0519","0.0386","","","0.1174","0.1304","","","","","","0.943","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513472","10.0981","0.0012","8.6701","0.001","18.677","0.002","90","","93.607","0.003","90","","1632","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Pyrone-2","ethyl 2-oxo-4,6-diphenyl-2H-pyran-5-carboxylate","","- C20 H14 O4 -","- C20 H16 O4 -","- C80 H64 O16 -","4","1","","Manikandan, Rajendran; Jeganmohan, Masilamani","Ruthenium-Catalyzed Dimerization of Propiolates: A Simple Route to α-Pyrones.","Organic letters","2014","16","3","652","655","10.1021/ol4035929","","","0.71073","MoKα","","0.1094","0.0716","","","0.2118","0.2394","","","","","","1.425","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513473","23.138","0.001","24.004","0.001","8.6874","0.0004","90","","90","","90","","4825","0.4","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C21 H30 O6 -","- C21 H30 O6 -","- C168 H240 O48 -","8","2","","Gao, Xiu; Shao, Li-Dong; Dong, Liao-Bin; Cheng, Xiao; Wu, Xing-De; Liu, Fei; Jiang, Wei-Wei; Peng, Li-Yan; He, Juan; Zhao, Qin-Shi","Vibsatins A and B, Two New Tetranorvibsane-Type Diterpenoids from Viburnum tinus cv. variegatus.","Organic letters","2014","16","3","980","983","10.1021/ol403707a","","","1.54178","CuKα","","0.1068","0.0743","","","0.1746","0.1884","","","","","","0.948","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513474","21.692","0.004","8.7516","0.0016","22.332","0.003","90","","101.726","0.007","90","","4151","1.2","173.1","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 O8 -","- C21 H26 O8 -","- C168 H208 O64 -","8","2","","Yamamoto, Mitsuaki; Hayashi, Shunsuke; Isa, Kazuki; Kawatsura, Motoi","Palladium-Catalyzed Double Alkylation of 3-Aryl-2-fluoroallyl Esters with Malonate Nucleophiles through the Carbon-Fluorine Bond Cleavage.","Organic letters","2014","16","3","700","703","10.1021/ol500121z","","","0.71075","MoKα","","","0.0945","","","","0.2053","","","","","","1.547","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513475","14.3562","0.0008","14.8127","0.0008","17.4328","0.0009","90","","110.316","0.002","90","","3476.5","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","DACHPPh2","","","- C42 H45 N2 O2 P -","- C42 H45 N2 O2 P -","- C168 H180 N8 O8 P4 -","4","1","","Chase, Daniel T.; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Exploring the chemistry of n,n'-diamidocarbenes with organophosphorus compounds.","Organic letters","2014","16","3","812","815","10.1021/ol4035484","","","0.71075","MoKα","","0.0451","0.0425","","","0.1124","0.1148","","","","","","1.006","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513476","17.07","0.004","16.146","0.004","7.7572","0.0017","90","","91.011","0.005","90","","2137.6","0.9","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DACRearranged","","","- C24 H28 N2 O2 -","- C24 H28 N2 O2 -","- C96 H112 N8 O8 -","4","1","","Chase, Daniel T.; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Exploring the chemistry of n,n'-diamidocarbenes with organophosphorus compounds.","Organic letters","2014","16","3","812","815","10.1021/ol4035484","","","0.71075","MoKα","","0.1198","0.0942","","","0.2249","0.2434","","","","","","1.006","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513477","8.441","0.007","16.218","0.013","15.825","0.013","90","","96.725","0.013","90","","2151","3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DACMethylene","","","- C25 H30 N2 O2 -","- C25 H30 N2 O2 -","- C100 H120 N8 O8 -","4","1","","Chase, Daniel T.; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Exploring the chemistry of n,n'-diamidocarbenes with organophosphorus compounds.","Organic letters","2014","16","3","812","815","10.1021/ol4035484","","","0.71075","MoKα","","0.1377","0.0889","","","0.2025","0.2377","","","","","","1.006","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513478","7.7491","0.0006","32.258","0.002","10.4006","0.0014","90","","90.016","0.008","90","","2599.8","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 Br O3 -","- C13 H17 Br O3 -","- C104 H136 Br8 O24 -","8","2","","Shen, Zhi-Liang; Peng, Zhihua; Yang, Chun-Ming; Helberg, Julian; Mayer, Peter; Marek, Ilan; Knochel, Paul","Highly diastereoselective preparation of aldol products using new functionalized allylic aluminum reagents.","Organic letters","2014","16","3","956","959","10.1021/ol403692k","","","0.71073","MoKα","","0.0632","0.0402","","","0.074","0.0832","","","","","","1.031","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513479","9.904","0.005","10.686","0.005","12.143","0.006","107.112","0.011","97.167","0.012","94.954","0.011","1208.3","1","296","","296","","","","","","","","","3","P -1","-P 1","2","","","","- C31 H34 O3 -","- C31 H34 O3 -","- C62 H68 O6 -","2","1","","Nagamoto, Yuuki; Yamaoka, Yousuke; Fujimura, Shun; Takemoto, Yoshiji; Takasu, Kiyosei","Synthesis of Functionalized Polycyclic Aromatic Compounds via a Formal [2 + 2]-Cycloaddition.","Organic letters","2014","16","3","1008","1011","10.1021/ol403757e","","","0.71075","MoKα","","","0.1151","","","","0.208","","","","","","1","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513480","4.8479","0.0007","14.348","0.003","16.644","0.003","87.138","0.004","81.679","0.004","80.307","0.004","1128.8","0.4","296","","296","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H30 O2 -","- C30 H30 O2 -","- C60 H60 O4 -","2","1","","Nagamoto, Yuuki; Yamaoka, Yousuke; Fujimura, Shun; Takemoto, Yoshiji; Takasu, Kiyosei","Synthesis of Functionalized Polycyclic Aromatic Compounds via a Formal [2 + 2]-Cycloaddition.","Organic letters","2014","16","3","1008","1011","10.1021/ol403757e","","","0.71075","MoKα","","","0.1835","","","","0.2702","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513481","21.8649","0.0016","13.0933","0.0009","17.7804","0.0013","90","","110.708","0.001","90","","4761.4","0.6","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C13 H14 O4 -","- C13 H14 O4 -","- C208 H224 O64 -","16","4","","Youn, So Won; Song, Hyoung Sub; Park, Jong Hyub","Asymmetric Domino Multicatalysis for the Synthesis of 3-Substituted Phthalides: Cinchonine/NHC Cooperative System.","Organic letters","2014","16","3","1028","1031","10.1021/ol5000617","","","0.71073","MoKα","","0.0915","0.0683","","","0.1824","0.2024","","","","","","1.039","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513482","10.0332","0.0004","8.471","0.0004","12.9591","0.0006","90","","107.322","0.004","90","","1051.46","0.08","303","2","303","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H21 Br N2 O4 -","- C21 H21 Br N2 O4 -","- C42 H42 Br2 N4 O8 -","2","1","","Weng, Jian-Quan; Deng, Qiao-Man; Wu, Liang; Xu, Kai; Wu, Hao; Liu, Ren-Rong; Gao, Jian-Rong; Jia, Yi-Xia","Asymmetric Friedel-Crafts Alkylation of α-Substituted β-Nitroacrylates: Access to β(2,2)-Amino Acids Bearing Indolic All-Carbon Quaternary Stereocenters","Organic Letters","2014","16","3","776","779","10.1021/ol403480v","","","0.71073","MoKα","","0.0512","0.0355","","","0.0976","0.1168","","","","","","0.792","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513483","9.3592","0.0004","9.858","0.0007","13.1796","0.0007","86.612","0.005","87.077","0.004","84.894","0.004","1207.77","0.12","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H28 N2 O2 -","- C28 H28 N2 O2 -","- C56 H56 N4 O4 -","2","2","","Weng, Jian-Quan; Deng, Qiao-Man; Wu, Liang; Xu, Kai; Wu, Hao; Liu, Ren-Rong; Gao, Jian-Rong; Jia, Yi-Xia","Asymmetric Friedel-Crafts Alkylation of α-Substituted β-Nitroacrylates: Access to β(2,2)-Amino Acids Bearing Indolic All-Carbon Quaternary Stereocenters","Organic Letters","2014","16","3","776","779","10.1021/ol403480v","","","0.71073","MoKα","","0.0708","0.049","","","0.1064","0.1199","","","","","","1.019","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513484","11.122","0.012","11.816","0.009","14.586","0.014","75.82","0.08","82.96","0.08","69.14","0.05","1735","3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 F3 O2 S -","- C19 H15 F3 O2 S -","- C76 H60 F12 O8 S4 -","4","2","","Yeh, Pei-Pei; Daniels, David S. B.; Cordes, David B.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Isothiourea-mediated one-pot synthesis of trifluoromethyl substituted 2-pyrones.","Organic letters","2014","16","3","964","967","10.1021/ol403697h","","","1.54187","CuKα","","","0.0992","","","","0.3529","","","","","","1.096","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513485","19.62","0.0011","12.7399","0.0007","24.5552","0.0014","90","","105.702","0.001","90","","5908.7","0.6","188","2","188","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H22 Br2 N2 O S4 -","- C90 H22 Br2 N2 O S4 -","- C360 H88 Br8 N8 O4 S16 -","4","1","","Hou, Hui-Lei; Li, Zong-Jun; Gao, Xiang","Reductive benzylation of c60 imidazoline with a bulky addend.","Organic letters","2014","16","3","712","715","10.1021/ol403395r","","","0.71073","MoKα","","0.121","0.0793","","","0.2178","0.2414","","","","","","1.019","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513486","26.815","0.007","6.466","0.002","17.138","0.004","90","","102.188","0.012","90","","2904.5","1.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 N4 O4 S -","- C14 H12 N4 O4 S -","- C112 H96 N32 O32 S8 -","8","1","","Lin, Chia-Chi; Hsieh, Tsung-Han; Liao, Pen-Yuan; Liao, Zhen-Yuan; Chang, Chih-Wei; Shih, Yu-Chiao; Yeh, Wen-Hsiung; Chien, Tun-Cheng","Practical Synthesis of N-Substituted Cyanamides via Tiemann Rearrangement of Amidoximes.","Organic letters","2014","16","3","892","895","10.1021/ol403645y","","","0.71073","MoKα","","0.1655","0.0648","","","0.149","0.2212","","","","","","0.96","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513487","8.7956","0.0009","10.4442","0.0011","10.9339","0.0011","69.299","0.002","67.831","0.002","72.037","0.002","852.17","0.15","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 Cl N3 O2 S -","- C14 H12 Cl N3 O2 S -","- C28 H24 Cl2 N6 O4 S2 -","2","1","","Lin, Chia-Chi; Hsieh, Tsung-Han; Liao, Pen-Yuan; Liao, Zhen-Yuan; Chang, Chih-Wei; Shih, Yu-Chiao; Yeh, Wen-Hsiung; Chien, Tun-Cheng","Practical Synthesis of N-Substituted Cyanamides via Tiemann Rearrangement of Amidoximes.","Organic letters","2014","16","3","892","895","10.1021/ol403645y","","","0.71073","MoKα","","0.0588","0.0525","","","0.1584","0.1634","","","","","","0.847","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513488","9.7187","0.0004","10.3158","0.0005","14.7642","0.0006","80.652","0.003","71.319","0.002","86.053","0.003","1383.37","0.11","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 N3 O2 S -","- C14 H13 N3 O2 S -","- C56 H52 N12 O8 S4 -","4","2","","Lin, Chia-Chi; Hsieh, Tsung-Han; Liao, Pen-Yuan; Liao, Zhen-Yuan; Chang, Chih-Wei; Shih, Yu-Chiao; Yeh, Wen-Hsiung; Chien, Tun-Cheng","Practical Synthesis of N-Substituted Cyanamides via Tiemann Rearrangement of Amidoximes.","Organic letters","2014","16","3","892","895","10.1021/ol403645y","","","0.71073","MoKα","","0.0795","0.0481","","","0.1021","0.1191","","","","","","1.002","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513489","8.2877","0.0012","8.7172","0.0016","10.9347","0.0018","88.867","0.007","74.001","0.006","73.228","0.007","725.5","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O2 S -","- C16 H14 N2 O2 S -","- C32 H28 N4 O4 S2 -","2","1","","Lin, Chia-Chi; Hsieh, Tsung-Han; Liao, Pen-Yuan; Liao, Zhen-Yuan; Chang, Chih-Wei; Shih, Yu-Chiao; Yeh, Wen-Hsiung; Chien, Tun-Cheng","Practical Synthesis of N-Substituted Cyanamides via Tiemann Rearrangement of Amidoximes.","Organic letters","2014","16","3","892","895","10.1021/ol403645y","","","0.71073","MoKα","","0.1602","0.0698","","","0.1202","0.1525","","","","","","0.97","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513490","9.75","0.002","11.39","0.003","17.892","0.004","90","","90","","90","","1987","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 Br N2 O2 -","- C22 H23 Br N2 O2 -","- C88 H92 Br4 N8 O8 -","4","1","","Mittal, Nisha; Sun, Diana X.; Seidel, Daniel","Conjugate-base-stabilized brønsted acids: catalytic enantioselective pictet-spengler reactions with unmodified tryptamine.","Organic letters","2014","16","3","1012","1015","10.1021/ol403773a","","","0.71073","MoKα","","0.1579","0.0938","","","0.1992","0.225","","","","","","1.091","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513491","15.123","0.004","10.409","0.003","15.834","0.004","90","","95.863","0.004","90","","2479.5","1.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H47 Br2 N3 O5 -","- C50 H47 Br2 N3 O5 -","- C100 H94 Br4 N6 O10 -","2","1","","Lin, Hua; Sun, Xing-Wen; Lin, Guo-Qiang","Dual-Organocatalyst-Promoted Asymmetric Cascade Reaction: Highly Efficient Construction of Enantiopure Fully Substituted Tetrahydro-1,2-oxazines.","Organic letters","2014","16","3","752","755","10.1021/ol403463h","","","0.71073","MoKα","","0.1131","0.0607","","","0.1522","0.1799","","","","","","0.987","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513492","15.6572","0.0005","20.2909","0.0007","9.0472","0.0003","90","","90","","90","","2874.28","0.17","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C46 H76 N2 O8 P4 Pt2 -","- C46 H76 N2 O8 P4 Pt2 -","- C92 H152 N4 O16 P8 Pt4 -","2","0.5","","Ou-Yang, Jiang-Kun; Zhang, Yan-Yan; He, Meng-Lan; Li, Jiang-Tao; Li, Xiaopeng; Zhao, Xiao-Li; Wang, Cui-Hong; Yu, Yihua; Wang, De-Xian; Xu, Lin; Yang, Hai-Bo","Unexpected Self-Assembly of Chiral Triangles from 90° Chiral Di-Pt(II) Acceptors.","Organic letters","2014","16","3","664","667","10.1021/ol4032649","","","0.71073","MoKα","","0.02","0.0195","","","0.0529","0.0533","","","","","","1.059","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1513493","26.727","0.004","9.8065","0.0013","10.1143","0.0013","90","","92.122","0.003","90","","2649.1","0.6","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C23 H38 N O4 P2 Pt -","- C23 H38 N O4 P2 Pt -","- C92 H152 N4 O16 P8 Pt4 -","4","1","","Ou-Yang, Jiang-Kun; Zhang, Yan-Yan; He, Meng-Lan; Li, Jiang-Tao; Li, Xiaopeng; Zhao, Xiao-Li; Wang, Cui-Hong; Yu, Yihua; Wang, De-Xian; Xu, Lin; Yang, Hai-Bo","Unexpected Self-Assembly of Chiral Triangles from 90° Chiral Di-Pt(II) Acceptors.","Organic letters","2014","16","3","664","667","10.1021/ol4032649","","","0.71073","MoKα","","0.0369","0.035","","","0.0927","0.0942","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513494","22.1444","0.0004","37.274","0.0008","27.7739","0.0005","90","","94.0785","0.0016","90","","22866.8","0.8","120","0.1","120","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C135 H100 Cl13 N6 O6 -","- C135 H100 Cl13 N6 O6 -","- C1080 H800 Cl104 N48 O48 -","8","2","","Kohl, Bernd; Rominger, Frank; Mastalerz, Michael","Rigid π-Extended Triptycenes via a Hexaketone Precursor.","Organic letters","2014","16","3","704","707","10.1021/ol403383y","","","1.54178","CuKα","","0.1785","0.1376","","","0.3801","0.4208","","","","","","1.565","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513495","11.875","0.003","12.513","0.003","23.689","0.005","98.94","0.003","99.394","0.003","105.091","0.002","3279.9","1.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H76 F12 N4 O12 P2 -","- C64 H76 F12 N4 O12 P2 -","- C128 H152 F24 N8 O24 P4 -","2","1","","Xu, Jiang-Fei; Chen, Yu-Zhe; Wu, Li-Zhu; Tung, Chen-Ho; Yang, Qing-Zheng","Synthesis of a photoresponsive cryptand and its complexations with paraquat and 2,7-diazapyrenium.","Organic letters","2014","16","3","684","687","10.1021/ol403343s","","","0.71073","MoKα","","0.1128","0.0919","","","0.1908","0.2022","","","","","","1.152","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513496","17.9017","0.0002","12.61697","0.00013","19.0856","0.0002","90","","108.118","0.0013","90","","4097.04","0.08","180","","180","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H8 Br N3 O -","- C9 H8 Br N3 O -","- C144 H128 Br16 N48 O16 -","16","2","","Hanzlová, Eva; Navrátil, Rafael; Cejka, Jan; Böhm, Stanislav; Martin°u, Tomáš","Evidence for the Cyclic CN2 Carbene in Solution.","Organic letters","2014","16","3","852","855","10.1021/ol4036243","","","1.54184","CuKα","","0.0305","0.0284","","0.0805","0.0787","0.0805","","","","","","0.9989","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513497","14.849","0.003","12.95","0.003","30.051","0.005","90","","90","","90","","5779","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C59 H48 Cl4 N12 O4 -","- C59 H48 Cl4 N12 O4 -","- C236 H192 Cl16 N48 O16 -","4","0.5","","Tran, Minh Quan; Ermolenko, Ludmila; Retailleau, Pascal; Nguyen, Thanh Binh; Al-Mourabit, Ali","Reaction of Quinones and Guanidine Derivatives: Simple Access to Bis-2-aminobenzimidazole Moiety of Benzosceptrin and Other Benzazole Motifs.","Organic letters","2014","16","3","920","923","10.1021/ol403672p","","","0.7107","MoKα","","0.0888","0.0682","","","0.1693","0.1819","","","","","","1.117","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513498","10.794","0.002","12.496","0.003","16.394","0.003","89.375","0.005","84.6","0.004","76.159","0.004","2137.4","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H23 N3 O -","- C26 H23 N3 O -","- C104 H92 N12 O4 -","4","2","","Tran, Minh Quan; Ermolenko, Ludmila; Retailleau, Pascal; Nguyen, Thanh Binh; Al-Mourabit, Ali","Reaction of Quinones and Guanidine Derivatives: Simple Access to Bis-2-aminobenzimidazole Moiety of Benzosceptrin and Other Benzazole Motifs.","Organic letters","2014","16","3","920","923","10.1021/ol403672p","","","0.7107","MoKα","","0.0968","0.0629","","","0.1625","0.188","","","","","","1.031","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513499","8.0289","0.0009","10.2752","0.0011","14.1016","0.0015","110.798","0.001","91.009","0.001","107.27","0.001","1028.61","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","pyrrole3a","","","- C23 H21 N O4 S -","- C23 H21 N O4 S -","- C46 H42 N2 O8 S2 -","2","1","","Wu, Yayang; Cheng, Chi; Jiao, Lijuan; Yu, Changjiang; Wang, Sufan; Wei, Yun; Mu, Xiaolong; Hao, Erhong","β-Thiophene-Fused BF2-Azadipyrromethenes as Near-Infrared Dyes.","Organic letters","2014","16","3","748","751","10.1021/ol4034622","","","0.71073","MoKα","","0.0594","0.0449","","","0.1254","0.1366","","","","","","1.034","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513500","8.9414","0.001","28.522","0.003","23.2853","0.0019","90","","110.371","0.003","90","","5567","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","pyrrole3c","","","- C30 H27 N O5 S -","- C30 H27 N O5 S -","- C240 H216 N8 O40 S8 -","8","2","","Wu, Yayang; Cheng, Chi; Jiao, Lijuan; Yu, Changjiang; Wang, Sufan; Wei, Yun; Mu, Xiaolong; Hao, Erhong","β-Thiophene-Fused BF2-Azadipyrromethenes as Near-Infrared Dyes.","Organic letters","2014","16","3","748","751","10.1021/ol4034622","","","0.71073","MoKα","","0.0819","0.0566","","","0.1787","0.1972","","","","","","1.06","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513501","13.4459","0.0012","17.5551","0.0016","20.9947","0.0019","92.009","0.001","93.81","0.002","111.496","0.001","4591.4","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","azaBDTP5c","","","- C54 H42 B F2 N3 O6 S2 -","- C54 H42 B F2 N3 O6 S2 -","- C216 H168 B4 F8 N12 O24 S8 -","4","2","","Wu, Yayang; Cheng, Chi; Jiao, Lijuan; Yu, Changjiang; Wang, Sufan; Wei, Yun; Mu, Xiaolong; Hao, Erhong","β-Thiophene-Fused BF2-Azadipyrromethenes as Near-Infrared Dyes.","Organic letters","2014","16","3","748","751","10.1021/ol4034622","","","0.71073","MoKα","","0.1572","0.0591","","","0.086","0.1042","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513502","11.9539","0.001","16.0342","0.0013","19.7306","0.0016","101.279","0.001","107.357","0.001","93.043","0.001","3514.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","azaBDTP5d","","","- C72 H78 B F2 N3 S2 -","- C72 H78 B F2 N3 S2 -","- C144 H156 B2 F4 N6 S4 -","2","1","","Wu, Yayang; Cheng, Chi; Jiao, Lijuan; Yu, Changjiang; Wang, Sufan; Wei, Yun; Mu, Xiaolong; Hao, Erhong","β-Thiophene-Fused BF2-Azadipyrromethenes as Near-Infrared Dyes.","Organic letters","2014","16","3","748","751","10.1021/ol4034622","","","0.71073","MoKα","","0.1353","0.0811","","","0.234","0.2668","","","","","","1.01","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513503","7.8654","0.0006","14.273","0.001","22.07","0.0016","90","","90","","90","","2477.6","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 N O6 S -","- C26 H31 N O6 S -","- C104 H124 N4 O24 S4 -","4","1","","Wang, Pu-Sheng; Zhou, Xiao-Le; Gong, Liu-Zhu","An organocatalytic asymmetric allylic alkylation allows enantioselective total synthesis of hydroxymetasequirin-a and metasequirin-B tetramethyl ether diacetates.","Organic letters","2014","16","3","976","979","10.1021/ol4037055","","","0.71073","MoKα","","0.0468","0.0335","","","0.0743","0.0811","","","","","","1.045","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513504","8.7966","0.0003","8.4402","0.0002","32.1945","0.0009","90","","93.958","0.001","90","","2384.58","0.12","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 O9 -","- C25 H28 O9 -","- C100 H112 O36 -","4","1","","Wang, Pu-Sheng; Zhou, Xiao-Le; Gong, Liu-Zhu","An organocatalytic asymmetric allylic alkylation allows enantioselective total synthesis of hydroxymetasequirin-a and metasequirin-B tetramethyl ether diacetates.","Organic letters","2014","16","3","976","979","10.1021/ol4037055","","","0.71073","MoKα","","0.07","0.0417","","","0.1031","0.1151","","","","","","0.994","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513505","21.1359","0.0007","21.1359","0.0007","40.1543","0.0019","90","","90","","120","","15534.7","1","223","","223","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C54.5 H42.5 Cl1.5 N6 O3 -","- C54.5 H42.5 Cl1.5 N6 O3 -","- C654 H510 Cl18 N72 O36 -","12","0.333333","","Abe, Hajime; Ohtani, Kohei; Suzuki, Daiki; Chida, Yusuke; Shimada, Yuta; Matsumoto, Shinya; Inouye, Masahiko","Alternating 2,6-/3,5-Substituted Pyridine-Acetylene Macrocycles: π-Stacking Self-Assemblies Enhanced by Intermolecular Dipole-Dipole Interaction.","Organic letters","2014","16","3","828","831","10.1021/ol403579e","","","0.71075","MoKα","","","0.0632","","","","0.163","","","","","","1.006","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513506","8.404","0.0002","10.9966","0.0002","11.7955","0.0004","90","","110.235","0.004","90","","1022.81","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H19 N O2 S -","- C23 H19 N O2 S -","- C46 H38 N2 O4 S2 -","2","1","","Qiao, Baokun; Liu, Xinfei; Duan, Shaobo; Yan, Lin; Jiang, Zhiyong","Highly Enantioselective Organocatalytic α-Sulfenylation of Azlactones.","Organic letters","2014","16","3","672","675","10.1021/ol403303k","","","1.5418","CuKα","","0.0393","0.0365","","","0.0959","0.0987","","","","","","1.038","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513507","9.0174","0.0007","9.9046","0.0009","14.5441","0.0012","90","","97.245","0.007","90","","1288.62","0.19","295.96","0.1","295.96","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H14 N2 -","- C16 H14 N2 -","- C64 H56 N8 -","4","2","","Zhang, Gen; Ma, Yunxia; Cheng, Guangbin; Liu, Dabin; Wang, Rui","A Unique Combined Source of ""CN"" from 1,2-Dichloroethane and TMSN3 in the Copper-Catalyzed Cyanation of a C(sp(3))-H Bond Adjacent to a Nitrogen Atom.","Organic letters","2014","16","3","656","659","10.1021/ol500045p","","","0.7107","MoKα","","0.0884","0.0539","","","0.1158","0.1383","","","","","","1.042","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513508","15.1753","0.0011","8.7875","0.0007","15.7934","0.0012","90","","112.989","0.002","90","","1938.8","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 O3 -","- C24 H24 O3 -","- C96 H96 O12 -","4","1","","More, Nagnath Yadav; Jeganmohan, Masilamani","Aerobic Dehydrogenative α-Diarylation of Benzyl Ketones with Aromatics through Carbon-Carbon Bond Cleavage.","Organic letters","2014","16","3","804","807","10.1021/ol500079y","","","0.71073","MoKα","","0.0592","0.0444","","","0.1443","0.1607","","","","","","1.147","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513509","11.5559","0.0016","6.328","0.0009","13.4204","0.0018","90","","96.817","0.003","90","","974.4","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H19 Br O4 -","- C21 H19 Br O4 -","- C42 H38 Br2 O8 -","2","1","","Hao, Xiaoyu; Liu, Xiaohua; Li, Wei; Tan, Fei; Chu, Yangyang; Zhao, Xiaohu; Lin, Lili; Feng, Xiaoming","Chiral Lewis acid catalyzed asymmetric cycloadditions of disubstituted ketenes for the synthesis of β-lactones and δ-lactones.","Organic letters","2014","16","1","134","137","10.1021/ol4031217","","","0.71073","MoKα","","0.0596","0.0473","","","0.1255","0.1317","","","","","","1.059","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513510","10.535","0.006","8.839","0.005","11.434","0.006","90","","93.082","0.01","90","","1063.2","1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H20 Br N O3 -","- C25 H20 Br N O3 -","- C50 H40 Br2 N2 O6 -","2","1","","Hao, Xiaoyu; Liu, Xiaohua; Li, Wei; Tan, Fei; Chu, Yangyang; Zhao, Xiaohu; Lin, Lili; Feng, Xiaoming","Chiral Lewis acid catalyzed asymmetric cycloadditions of disubstituted ketenes for the synthesis of β-lactones and δ-lactones.","Organic letters","2014","16","1","134","137","10.1021/ol4031217","","","0.71073","MoKα","","0.1135","0.0556","","","0.1408","0.1708","","","","","","0.95","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513511","7.6857","0.0015","15.248","0.003","28.403","0.006","90","","90","","90","","3328.6","1.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H10 F6 N2 -","- C18 H10 F6 N2 -","- C144 H80 F48 N16 -","8","1","","Gao, Bing; Zhao, Yanchuan; Ni, Chuanfa; Hu, Jinbo","AgF-mediated fluorinative homocoupling of gem-difluoroalkenes.","Organic letters","2014","16","1","102","105","10.1021/ol403083e","","","1.54178","CuKα","","0.0359","0.0337","","","0.0897","0.0915","","","","","","1.054","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513512","15.205","0.012","9.06","0.008","12.052","0.01","90","","95.074","0.018","90","","1654","2","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C18 H8 F6 N2 -","- C18 H8 F6 N2 -","- C72 H32 F24 N8 -","4","0.5","","Gao, Bing; Zhao, Yanchuan; Ni, Chuanfa; Hu, Jinbo","AgF-mediated fluorinative homocoupling of gem-difluoroalkenes.","Organic letters","2014","16","1","102","105","10.1021/ol403083e","","","0.71073","MoKα","","0.1109","0.0751","","","0.2232","0.253","","","","","","1.062","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513513","9.122","0.002","16.331","0.004","12.941","0.003","90","","108.021","0.004","90","","1833.3","0.7","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H39 N3 O12 -","- C39 H39 N3 O12 -","- C78 H78 N6 O24 -","2","1","","Jana, Poulami; Paikar, Arpita; Bera, Santu; Maity, Suman Kumar; Haldar, Debasish","Porous organic material from discotic tricarboxyamide: side chain-core interactions.","Organic letters","2014","16","1","38","41","10.1021/ol402865t","","","0.71073","MoKα","","0.0918","0.0477","","","0.0939","0.1094","","","","","","0.994","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513514","16.4549","0.0012","16.4549","0.0012","21.286","0.003","90","","90","","120","","4991.3","0.9","100","2","100","2","","","","","","","","5","P 65","P 65","170","","","","- C27 H39 N3 O9 S3 -","- C27 H39 N3 O9 S3 -","- C162 H234 N18 O54 S18 -","6","1","","Jana, Poulami; Paikar, Arpita; Bera, Santu; Maity, Suman Kumar; Haldar, Debasish","Porous organic material from discotic tricarboxyamide: side chain-core interactions.","Organic letters","2014","16","1","38","41","10.1021/ol402865t","","","0.71073","MoKα","","0.169","0.078","","","0.1972","0.2483","","","","","","1.027","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513515","22.1929","0.0006","7.2579","0.0002","16.8448","0.0003","90","","128.526","0.0013","90","","2122.66","0.1","200","","200","","","","","","","","local","3","C 1 2/c 1","-C 2yc","15","","","","- C13 H12 O3 -","- C13 H12 O3 -","- C104 H96 O24 -","8","1","","Lan, Ping; Banwell, Martin G.; Ward, Jas S.; Willis, Anthony C.","Chemoenzymatic total synthesis and reassignment of the absolute configuration of ribisin C.","Organic letters","2014","16","1","228","231","10.1021/ol403220t","","","0.71073","MoKα","","0.0476","0.0392","","0.1012","0.0962","0.1012","","","","","","0.9981","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513516","10.2195","0.0005","4.7644","0.0003","13.9604","0.0008","90","","107.933","0.003","90","","646.71","0.06","222","","222","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C14 H14 O5 -","- C14 H14 O5 -","- C28 H28 O10 -","2","1","","Lan, Ping; Banwell, Martin G.; Ward, Jas S.; Willis, Anthony C.","Chemoenzymatic total synthesis and reassignment of the absolute configuration of ribisin C.","Organic letters","2014","16","1","228","231","10.1021/ol403220t","","","0.71073","MoKα","","0.0407","0.0383","","0.0967","0.0943","0.0967","","","","","","1.0015","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513517","10.1746","0.0008","4.7518","0.0004","13.9532","0.001","90","","107.731","0.004","90","","642.56","0.09","200","","200","","","","","","","","Research School of Chemistry","3","P 1 21 1","P 2yb","4","","","","- C14 H14 O5 -","- C14 H14 O5 -","- C28 H28 O10 -","2","1","","Lan, Ping; Banwell, Martin G.; Ward, Jas S.; Willis, Anthony C.","Chemoenzymatic total synthesis and reassignment of the absolute configuration of ribisin C.","Organic letters","2014","16","1","228","231","10.1021/ol403220t","","","0.71073","MoKα","","0.0474","0.0372","","0.1004","0.0923","0.1004","","","","","","1.0113","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513518","11.379","0.005","7.083","0.003","15.797","0.007","90","","91.74","0.02","90","","1272.6","1","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","1","","Qi, Jianguo; Sun, Chenbin; Tian, Yulin; Wang, Xiaojian; Li, Gang; Xiao, Qiong; Yin, Dali","Highly efficient and versatile synthesis of lactams and N-heterocycles via Al(OTf)3-catalyzed cascade cyclization and ionic hydrogenation reactions.","Organic letters","2014","16","1","190","192","10.1021/ol403173x","","","1.54178","CuKα","","0.0613","0.0541","","","0.1457","0.158","","","","","","1.054","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513519","12.9227","0.001","16.4108","0.0012","20.4239","0.0015","90","","92.9","0.001","90","","4325.8","0.6","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 Au F3 N3 O3 P S -","- C40 H54 Au F3 N3 O3 P S -","- C160 H216 Au4 F12 N12 O12 P4 S4 -","4","1","","Xi, Yumeng; Wang, Dawei; Ye, Xiaohan; Akhmedov, Novruz G.; Petersen, Jeffrey L.; Shi, Xiaodong","Synergistic Au/Ga catalysis in ambient Nakamura reaction.","Organic letters","2014","16","1","306","309","10.1021/ol403337u","","","0.71073","MoKα","","0.0519","0.0349","","","0.0827","0.0919","","","","","","1.021","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513520","8.665","0.005","8.848","0.005","10.375","0.006","74.678","0.012","79.658","0.01","83.356","0.011","752.7","0.7","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C15 H19 N3 O2 -","- C15 H19 N3 O2 -","- C30 H38 N6 O4 -","2","2","","Wu, Kui; Fan, Zhoulong; Xue, Yu; Yao, Qizheng; Zhang, Ao","Rh(III)-catalyzed intermolecular C-H amination of 1-aryl-1H-pyrazol-5(4H)-ones with alkylamines.","Organic letters","2014","16","1","42","45","10.1021/ol402965d","","","0.71073","MoKα","","0.1369","0.1075","","","0.2938","0.3161","","","","","","1.115","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513521","26.2768","0.0009","8.5963","0.0003","20.857","0.0007","90","","104.751","0.002","90","","4556","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 F N3 O4 -","- C28 H20 F N3 O4 -","- C224 H160 F8 N24 O32 -","8","1","","Tréguier, Bret; Roche, Stéphane P","Double annulative cascade of tryptophan-containing peptides triggered by selectfluor.","Organic letters","2014","16","1","278","281","10.1021/ol403281t","","","0.71073","MoKα","","0.0469","0.0401","","","0.1062","0.1124","","","","","","1.014","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513522","13.9551","0.0005","20.5372","0.0008","14.7137","0.0006","90","","118.117","0.001","90","","3719.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H43 Cl Fe Ni O P2 -","- C45 H43 Cl Fe Ni O P2 -","- C180 H172 Cl4 Fe4 Ni4 O4 P8 -","4","1","","Park, Nathaniel H.; Teverovskiy, Georgiy; Buchwald, Stephen L.","Development of an air-stable nickel precatalyst for the amination of aryl chlorides, sulfamates, mesylates, and triflates.","Organic letters","2014","16","1","220","223","10.1021/ol403209k","","","0.71073","MoKα","","0.0357","0.0288","","","0.0709","0.0748","","","","","","1.023","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513523","17.609","0.0003","12.3369","0.0002","17.6426","0.0003","90","","99.8883","0.0013","90","","3775.75","0.11","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H46 Cl2 Hg2 O4 -","- C40 H46 Cl2 Hg2 O4 -","- C160 H184 Cl8 Hg8 O16 -","4","1","","Flídrová, Karolína; Böhm, Stanislav; Dvořáková, Hana; Eigner, Václav; Lhoták, Pavel","Dimercuration of calix[4]arenes: novel substitution pattern in calixarene chemistry.","Organic letters","2014","16","1","138","141","10.1021/ol403133b","","x-ray","1.5418","CuKα","","0.0492","0.045","","","0.1212","0.1232","","","","2.33","2.33","2.24","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513524","13.64125","0.00016","16.5808","0.0002","18.5708","0.0003","90","","97.8829","0.0012","90","","4160.7","0.1","120","","120","","","","101","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H50 Hg I N O6 -","- C46 H50 Hg I N O6 -","- C184 H200 Hg4 I4 N4 O24 -","4","1","","Flídrová, Karolína; Böhm, Stanislav; Dvořáková, Hana; Eigner, Václav; Lhoták, Pavel","Dimercuration of calix[4]arenes: novel substitution pattern in calixarene chemistry.","Organic letters","2014","16","1","138","141","10.1021/ol403133b","","","1.54184","CuKα","","0.0717","0.0708","","0.1503","0.1503","0.1503","","","","","","1.0167","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513525","13.5818","0.0004","17.169","0.0005","21.3367","0.0006","107.832","0.002","98.237","0.002","109.345","0.003","4299.9","0.3","120","","120","","","","101","","","","","5","P -1","-P 1","2","","","","- C83 H98 Cl10 Hg4 O8 -","- C83 H98 Cl10 Hg4 O8 -","- C166 H196 Cl20 Hg8 O16 -","2","1","","Flídrová, Karolína; Böhm, Stanislav; Dvořáková, Hana; Eigner, Václav; Lhoták, Pavel","Dimercuration of calix[4]arenes: novel substitution pattern in calixarene chemistry.","Organic letters","2014","16","1","138","141","10.1021/ol403133b","","","0.71073","MoKα","","0.0908","0.0552","","0.1734","0.1537","0.1734","","","","","","1.0977","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513526","13.3097","0.0003","16.7693","0.0005","21.3618","0.0006","102.48","0.002","106.494","0.002","107.577","0.002","4113.7","0.2","120","","120","","","","101","","","","","5","P -1","-P 1","2","","","","- C41 H48 Cl4 Hg2 O4 -","- C41 H48 Cl4 Hg2 O4 -","- C164 H192 Cl16 Hg8 O16 -","4","2","","Flídrová, Karolína; Böhm, Stanislav; Dvořáková, Hana; Eigner, Václav; Lhoták, Pavel","Dimercuration of calix[4]arenes: novel substitution pattern in calixarene chemistry.","Organic letters","2014","16","1","138","141","10.1021/ol403133b","","","1.54184","CuKα","","0.0563","0.0474","","0.1641","0.1285","0.1641","","","","","","1.0438","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513527","4.379","0.004","8.588","0.008","9.945","0.009","77.22","0.014","82.897","0.015","85.329","0.014","361.4","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H8 N O3 -","- C7 H8 N O3 -","- C14 H16 N2 O6 -","2","1","","Rana, Anup; Panda, Pradeepta K.","β-Octamethoxyporphycenes.","Organic letters","2014","16","1","78","81","10.1021/ol403068j","","","0.71073","MoKα","","0.1153","0.0759","","","0.1682","0.1914","","","","","","1.121","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513528","12.3046","0.0007","10.5352","0.0006","18.0332","0.0014","90","","90.359","0.005","90","","2337.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N2 O4 -","- C26 H28 N2 O4 -","- C104 H112 N8 O16 -","4","1","","Rana, Anup; Panda, Pradeepta K.","β-Octamethoxyporphycenes.","Organic letters","2014","16","1","78","81","10.1021/ol403068j","","","0.71073","MoKα","","0.1878","0.0648","","","0.1048","0.1498","","","","","","0.963","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513529","11.6106","0.0009","9.0413","0.0007","24.953","0.002","90","","90","","90","","2619.4","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H28 N4 O8 Zn -","- C28 H28 N4 O8 Zn -","- C112 H112 N16 O32 Zn4 -","4","0.5","","Rana, Anup; Panda, Pradeepta K.","β-Octamethoxyporphycenes.","Organic letters","2014","16","1","78","81","10.1021/ol403068j","","","0.71073","MoKα","","0.105","0.1037","","","0.1946","0.1953","","","","","","1.367","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513530","13.867","0.002","12.856","0.002","15.535","0.002","90","","90","","90","","2769.5","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H30 N4 O9 -","- C28 H30 N4 O9 -","- C112 H120 N16 O36 -","4","0.5","","Rana, Anup; Panda, Pradeepta K.","β-Octamethoxyporphycenes.","Organic letters","2014","16","1","78","81","10.1021/ol403068j","","","0.71073","MoKα","","0.15","0.0881","","","0.2659","0.3191","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513531","14.1047","0.0006","12.6047","0.0005","15.526","0.0007","90","","90","","90","","2760.3","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H28 N4 O8 Pd -","- C28 H28 N4 O8 Pd -","- C112 H112 N16 O32 Pd4 -","4","0.5","","Rana, Anup; Panda, Pradeepta K.","β-Octamethoxyporphycenes.","Organic letters","2014","16","1","78","81","10.1021/ol403068j","","","0.71073","MoKα","","0.075","0.0354","","","0.0936","0.1086","","","","","","0.914","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513532","7.8564","0.0002","10.2682","0.0003","10.0915","0.0003","90","","103.955","0.001","90","","790.06","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H23 N O4 S -","- C16 H23 N O4 S -","- C32 H46 N2 O8 S2 -","2","1","","Brawn, Ryan A.; Zhu, Kaicheng; Panek, James S.","Rhodium(II)-catalyzed alkyne amination of homopropargylic sulfamate esters: stereoselective synthesis of functionalized norcaradienes by arene cyclopropanation.","Organic letters","2014","16","1","74","77","10.1021/ol403035g","","","1.54178","CuKα","","0.0231","0.0231","","","0.0592","0.0592","","","","","","1.037","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513533","12.9248","0.0019","15.416","0.002","39.31","0.006","90","","90","","90","","7832.5","1.9","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C68 H92 N4 O25 S4 -","- C68 H92 N4 O25 S4 -","- C272 H368 N16 O100 S16 -","4","0.5","","Brawn, Ryan A.; Zhu, Kaicheng; Panek, James S.","Rhodium(II)-catalyzed alkyne amination of homopropargylic sulfamate esters: stereoselective synthesis of functionalized norcaradienes by arene cyclopropanation.","Organic letters","2014","16","1","74","77","10.1021/ol403035g","","","1.54178","CuKα","","0.0392","0.0374","","","0.0879","0.0884","","","","","","1.106","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513534","9.1458","0.0002","12.1107","0.0002","19.6005","0.0003","100.663","0.001","99.955","0.001","92.248","0.001","2095.69","0.07","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 N O P -","- C27 H22 N O P -","- C108 H88 N4 O4 P4 -","4","2","","Zhang, Bo; Daniliuc, Constantin Gabriel; Studer, Armido","6-Phosphorylated phenanthridines from 2-isocyanobiphenyls via radical C-P and C-C bond formation.","Organic letters","2014","16","1","250","253","10.1021/ol403256e","","","0.71073","MoKα","","0.0628","0.0529","","","0.1201","0.1289","","","","","","1.044","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513535","9.563","0.003","9.128","0.003","10.913","0.004","90","","92.657","0.007","90","","951.6","0.6","100","2","100","2","","","101.325","","","","Synthesis","4","P 1 21 1","P 2yb","4","PheBK","ethyl 4-(tert-butoxycarbonylamino)-3-oxo-5-phenylpentanoate","","- C18 H25 N O5 -","- C18 H25 N O5 -","- C36 H50 N2 O10 -","2","1","","Bandyopadhyay, Anupam; Malik, Ankita; Kumar, Mothukuri Ganesh; Gopi, Hosahudya N.","Exploring β-hydroxy γ-amino acids (statines) in the design of hybrid peptide foldamers.","Organic letters","2014","16","1","294","297","10.1021/ol403290h","","x-ray","0.71073","MoKα","","0.1748","0.0799","","","0.2006","0.244","","","","","","1.127","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513536","13.863","0.015","5.14","0.005","13.888","0.016","90","","107.36","0.02","90","","944.5","1.8","100","2","100","2","","","101.325","","","","Synthesis","4","P 1 21 1","P 2yb","4","Boc-gF(b-OH)-OEt","(3R,4S)-ethyl 4-((tert-butoxycarbonyl)amino)-3-hydroxy-5-phenylpentanoate","","- C18 H27 N O5 -","- C18 H27 N O5 -","- C36 H54 N2 O10 -","2","1","","Bandyopadhyay, Anupam; Malik, Ankita; Kumar, Mothukuri Ganesh; Gopi, Hosahudya N.","Exploring β-hydroxy γ-amino acids (statines) in the design of hybrid peptide foldamers.","Organic letters","2014","16","1","294","297","10.1021/ol403290h","","x-ray","0.71073","MoKα","","0.1083","0.0602","","","0.1517","0.1791","","","","","","0.924","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513537","13.6287","0.0014","10.3904","0.001","29.171","0.003","90","","102.281","0.003","90","","4036.3","0.7","100","2","100","2","","","101.325","","","","Synthesis","4","P 1 2 1","P 2y","3","","Boc-U-(S,S)-Phe-U-(S,S)-Phe-OET","","- C37 H57 N4 O10.5 -","- C37 H54 N4 O10.5 -","- C148 H216 N16 O42 -","4","2","","Bandyopadhyay, Anupam; Malik, Ankita; Kumar, Mothukuri Ganesh; Gopi, Hosahudya N.","Exploring β-hydroxy γ-amino acids (statines) in the design of hybrid peptide foldamers.","Organic letters","2014","16","1","294","297","10.1021/ol403290h","","x-ray","0.71073","MoKα","","0.1931","0.0881","","","0.1911","0.2405","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513538","10.544","0.0008","9.6062","0.0008","21.5794","0.0016","90","","100.859","0.002","90","","2146.6","0.3","100","2","100","2","","","101.325","","","","Syntehsis","4","P 1 21 1","P 2yb","4","Tetra hybrid peptide","Boc-U-(R,S)F-U-(R,S)F-OEt","","- C38 H60 N4 O13 -","- C38 H60 N4 O13 -","- C76 H120 N8 O26 -","2","1","","Bandyopadhyay, Anupam; Malik, Ankita; Kumar, Mothukuri Ganesh; Gopi, Hosahudya N.","Exploring β-hydroxy γ-amino acids (statines) in the design of hybrid peptide foldamers.","Organic letters","2014","16","1","294","297","10.1021/ol403290h","","x-ray","0.71073","MoKα","","0.0663","0.0548","","","0.1503","0.1583","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513539","10.62159","0.00013","7.29245","0.0001","19.6083","0.0002","90","","98.1569","0.0011","90","","1503.44","0.03","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 Br O -","- C16 H21 Br O -","- C64 H84 Br4 O4 -","4","2","","Germain, Nicolas; Guénée, Laure; Mauduit, Marc; Alexakis, Alexandre","Asymmetric conjugate addition to α-substituted enones/enolate trapping.","Organic letters","2014","16","1","118","121","10.1021/ol403104s","","","1.54184","CuKα","","0.0274","0.0268","","","0.07","0.0705","","","","","","1.032","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513540","5.7301","0.0005","10.3183","0.0014","13.7835","0.0017","79.233","0.011","87.668","0.008","88.785","0.009","799.86","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H16 F3 N O3 S -","- C14 H16 F3 N O3 S -","- C28 H32 F6 N2 O6 S2 -","2","1","","He, Yu-Tao; Li, Lian-Hua; Yang, Yan-Fang; Zhou, Zhao-Zhao; Hua, Hui-Liang; Liu, Xue-Yuan; Liang, Yong-Min","Copper-catalyzed intermolecular cyanotrifluoromethylation of alkenes.","Organic letters","2014","16","1","270","273","10.1021/ol403263c","","","0.7107","MoKα","","0.0909","0.0619","","","0.154","0.1829","","","","","","1.072","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513541","4.6665","0.0004","22.797","0.0019","12.8429","0.0011","90","","99.421","0.001","90","","1347.8","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 Br N2 -","- C17 H11 Br N2 -","- C68 H44 Br4 N8 -","4","1","","Rao, Bin; Zeng, Xiaoming","Aminocyanation by the addition of N-CN bonds to arynes: chemoselective synthesis of 1,2-bifunctional aminobenzonitriles.","Organic letters","2014","16","1","314","317","10.1021/ol403346x","","","0.71073","MoKα","","0.0353","0.0291","","","0.0786","0.0815","","","","","","1.06","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513542","17.1427","0.0019","3.9574","0.0004","17.4219","0.0019","90","","108.858","0.001","90","","1118.5","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 Br N2 -","- C13 H9 Br N2 -","- C52 H36 Br4 N8 -","4","1","","Rao, Bin; Zeng, Xiaoming","Aminocyanation by the addition of N-CN bonds to arynes: chemoselective synthesis of 1,2-bifunctional aminobenzonitriles.","Organic letters","2014","16","1","314","317","10.1021/ol403346x","","","0.71073","MoKα","","0.0262","0.0229","","","0.0585","0.0599","","","","","","1.085","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513543","8.326","0.007","8.643","0.007","25.63","0.02","81.878","0.007","87.849","0.007","61.655","0.007","1606","2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H26 O4 -","- C18 H26 O4 -","- C72 H104 O16 -","4","2","","Xu, Ke; Cheng, Bin; Li, Yun; Xu, Tingting; Yu, Cunming; Zhang, Jun; Ma, Zhiqiang; Zhai, Hongbin","Stereocontrolled total syntheses of (±)-fawcettimine, (±)-lycoflexine, and (±)-lycoflexine N-oxide","Organic Letters","2014","16","1","196","199","10.1021/ol403185g","","","0.71073","MoKα","","0.0836","0.053","","","0.1207","0.1365","","","","","","1.033","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513544","14.824","0.003","11.994","0.003","17.503","0.004","90","","90.27","0.003","90","","3112","1.2","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H45 N O4 S Si -","- C29 H45 N O4 S Si -","- C116 H180 N4 O16 S4 Si4 -","4","2","","Jiang, Jiu-Long; Yao, Ming; Lu, Chong-Dao","Efficient synthesis of α-quaternary α-hydroxy-β-amino esters via silyl glyoxylate-mediated three-component reactions.","Organic letters","2014","16","1","318","321","10.1021/ol403388w","","","0.71073","MoKα","","0.2318","0.0883","","","0.1645","0.2266","","","","","","0.951","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513545","5.8785","0.0017","18.843","0.005","9.875","0.003","90","","95.496","0.014","90","","1088.8","0.5","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H28 Br N O4 S -","- C18 H28 Br N O4 S -","- C36 H56 Br2 N2 O8 S2 -","2","1","","Jiang, Jiu-Long; Yao, Ming; Lu, Chong-Dao","Efficient synthesis of α-quaternary α-hydroxy-β-amino esters via silyl glyoxylate-mediated three-component reactions.","Organic letters","2014","16","1","318","321","10.1021/ol403388w","","","0.71073","MoKα","","0.108","0.0591","","","0.1316","0.1513","","","","","","1.012","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513546","10.2181","0.0009","10.6644","0.001","14.3363","0.0011","98.551","0.007","108.489","0.007","101.04","0.008","1416.9","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H36 O4 -","- C35 H36 O4 -","- C70 H72 O8 -","2","1","","Li, Xiao-Long; Zhao, Bing-Xin; Huang, Xiao-Jun; Zhang, Dong-Mei; Jiang, Ren-Wang; Li, Ying-Jie; Jian, Yu-Qing; Wang, Ying; Li, Yao-Lan; Ye, Wen-Cai","(+)- and (-)-Cajanusine, a pair of new enantiomeric stilbene dimers with a new skeleton from the leaves of Cajanus cajan.","Organic letters","2014","16","1","224","227","10.1021/ol403211a","","","1.54184","CuKα","","0.061","0.0444","","","0.1033","0.1169","","","","","","1.05","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513547","22.5316","0.001","13.8442","0.0005","8.1046","0.0003","90","","107.998","0.002","90","","2404.38","0.17","100","1","100","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C14 H23 O1.5 -","- C14 H23 O1.5 -","- C112 H184 O12 -","8","1","","Altenhofer, Erich; Harmata, Michael","Synthesis of functionalized cyclic boronates.","Organic letters","2014","16","1","3","5","10.1021/ol4029918","","","1.54178","CuKα","","0.0576","0.048","","","0.1153","0.1203","","","","","","1.062","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513548","9.6305","0.0019","11.802","0.002","13.8","0.003","90","","90","","90","","1568.5","0.5","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O5 -","- C18 H18 O5 -","- C72 H72 O20 -","4","1","","Li, Xin; Lin, Mao-Hui; Han, Yu; Wang, Feng; Cheng, Jin-Pei","Asymmetric Diels-Alder reaction of 3-olefinic benzofuran-2-ones and polyenals: construction of chiral spirocyclic benzofuran-2-ones.","Organic letters","2014","16","1","114","117","10.1021/ol403094a","","","1.54178","CuKα","","0.0531","0.0497","","","0.1012","0.1033","","","","","","1.215","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513549","8.7505","0.0008","9.3028","0.0007","15.4206","0.0013","90","","90","","90","","1255.3","0.18","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O4 -","- C16 H14 O4 -","- C64 H56 O16 -","4","1","","Li, Xin; Lin, Mao-Hui; Han, Yu; Wang, Feng; Cheng, Jin-Pei","Asymmetric Diels-Alder reaction of 3-olefinic benzofuran-2-ones and polyenals: construction of chiral spirocyclic benzofuran-2-ones.","Organic letters","2014","16","1","114","117","10.1021/ol403094a","","","0.71073","MoKα","","0.0369","0.0366","","","0.096","0.0962","","","","","","1.145","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513550","11.4942","0.0005","18.5575","0.0006","16.2678","0.0008","90","","97.687","0.004","90","","3438.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 F6 O6 Pd2 S2 -","- C34 H30 F6 O6 Pd2 S2 -","- C136 H120 F24 O24 Pd8 S8 -","4","1","","Wang, Binjie; Shen, Chuang; Yao, Jinzhong; Yin, Hong; Zhang, Yuhong","Palladium(II)-catalyzed ortho-olefination of arenes applying sulfoxides as remote directing groups.","Organic letters","2014","16","1","46","49","10.1021/ol402921w","","","0.71073","MoKα","","0.0707","0.0456","","","0.1186","0.1355","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513551","18.1408","0.001","15.6808","0.0006","19.7387","0.001","90","","90","","90","","5614.9","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H26 Cl2 O2 Pd2 S2 -","- C28 H26 Cl2 O2 Pd2 S2 -","- C224 H208 Cl16 O16 Pd16 S16 -","8","1","","Wang, Binjie; Shen, Chuang; Yao, Jinzhong; Yin, Hong; Zhang, Yuhong","Palladium(II)-catalyzed ortho-olefination of arenes applying sulfoxides as remote directing groups.","Organic letters","2014","16","1","46","49","10.1021/ol402921w","","","0.71073","MoKα","","0.0512","0.0331","","","0.066","0.0739","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513552","11.033","0.002","7.4849","0.0013","21.792","0.004","90","","96.722","0.006","90","","1787.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 N O3 -","- C21 H17 N O3 -","- C84 H68 N4 O12 -","4","1","","Li, Wenbo; Zhang, Junliang","Phosphine-mediated regio- and stereoselective hydrocarboxylation of enynes.","Organic letters","2014","16","1","162","165","10.1021/ol4031556","","","0.71073","MoKα","","0.0688","0.0425","","","0.1046","0.1229","","","","","","1.025","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513553","13.273","0.01","5.392","0.004","16.338","0.012","90","","112.857","0.01","90","","1077.5","1.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 O4 -","- C12 H12 O4 -","- C48 H48 O16 -","4","1","","Wang, Haining; Dong, Ben; Wang, Yang; Li, Jingfu; Shi, Yian","A palladium-catalyzed regioselective hydroesterification of alkenylphenols to lactones with phenyl formate as CO source.","Organic letters","2014","16","1","186","189","10.1021/ol403171p","","","0.71073","MoKα","","0.0376","0.034","","","0.0894","0.0922","","","","","","1.041","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513554","5.717","0.0011","7.812","0.0016","12.901","0.003","90","","93.75","0.03","90","","574.9","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H12 O2 -","- C15 H12 O2 -","- C30 H24 O4 -","2","1","","Wang, Haining; Dong, Ben; Wang, Yang; Li, Jingfu; Shi, Yian","A palladium-catalyzed regioselective hydroesterification of alkenylphenols to lactones with phenyl formate as CO source.","Organic letters","2014","16","1","186","189","10.1021/ol403171p","","","0.71073","MoKα","","0.0651","0.0471","","","0.106","0.115","","","","","","1.005","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513555","7.8959","0.0011","13.193","0.0018","25.493","0.004","90","","90","","90","","2655.6","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H10 Cl2 O -","- C16 H10 Cl2 O -","- C128 H80 Cl16 O8 -","8","1","","Yuan, Weiming; Ma, Shengming","Benzofuran derivatives from alkynyl-substituted benzynes and aryl halides.","Organic letters","2014","16","1","193","195","10.1021/ol4032254","","","0.71073","MoKα","","0.0436","0.0396","","","0.1022","0.1062","","","","","","1.06","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513556","9.4516","0.0019","10.17","0.002","15.38","0.003","82.35","0.03","81.34","0.03","66.75","0.03","1338.4","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H14 N2 -","- C18 H14 N2 -","- C72 H56 N8 -","4","2","","Su, Qing; Li, Pei; He, Mina; Wu, Qiaolin; Ye, Ling; Mu, Ying","Facile synthesis of acridine derivatives by ZnCl2-promoted intramolecular cyclization of o-arylaminophenyl Schiff bases.","Organic letters","2014","16","1","18","21","10.1021/ol402732n","","","0.71073","MoKα","","0.0829","0.0491","","","0.1403","0.161","","","","","","0.969","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513557","26.139","0.005","4.8057","0.001","11.615","0.002","90","","108.86","0.03","90","","1380.7","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 Cl2 N2 Zn -","- C12 H14 Cl2 N2 Zn -","- C48 H56 Cl8 N8 Zn4 -","4","0.5","","Su, Qing; Li, Pei; He, Mina; Wu, Qiaolin; Ye, Ling; Mu, Ying","Facile synthesis of acridine derivatives by ZnCl2-promoted intramolecular cyclization of o-arylaminophenyl Schiff bases.","Organic letters","2014","16","1","18","21","10.1021/ol402732n","","","0.71073","MoKα","","0.0318","0.0262","","","0.0571","0.0591","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513558","19.2525","0.0015","26.897","0.002","16.0354","0.0011","90","","90","","90","","8303.7","1.1","170","2","170","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C74 H83 F6 N7 O15 P -","- C66 H66 F6 N6 O14 P -","- C264 H264 F24 N24 O56 P4 -","4","0.5","","Wei, Peifa; Li, Jinying; Yan, Xuzhou; Zhou, Qizhong","Metallosupramolecular poly[2]pseudorotaxane constructed by metal coordination and crown-ether-based molecular recognition.","Organic letters","2014","16","1","126","129","10.1021/ol403111e","","","0.71073","MoKα","","0.0854","0.0592","","","0.1827","0.1988","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513559","12.1292","0.0005","12.9727","0.0005","15.079","0.0006","88.779","0.003","87.358","0.003","82.905","0.003","2351.69","0.16","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C89 H91 F12 N8 O14.5 P2 -","- C82 H78 F12 N6 O14 P2 -","- C82 H78 F12 N6 O14 P2 -","1","0.5","","Wei, Peifa; Li, Jinying; Yan, Xuzhou; Zhou, Qizhong","Metallosupramolecular poly[2]pseudorotaxane constructed by metal coordination and crown-ether-based molecular recognition.","Organic letters","2014","16","1","126","129","10.1021/ol403111e","","","0.71073","MoKα","","0.1819","0.143","","","0.409","0.4389","","","","","","1.608","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513560","10.6749","0.0013","15.0601","0.0014","12.3997","0.0014","90","0.0011","108.478","0.0013","90","0.0011","1890.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","TIPSNDT3Q","TIPSNDT3Q","","- C38 H46 N4 S2 Si2 -","- C38 H46 N4 S2 Si2 -","- C76 H92 N8 S4 Si4 -","2","0.5","","Yanai, Naoyuki; Mori, Takamichi; Shinamura, Shoji; Osaka, Itaru; Takimiya, Kazuo","Dithiophene-Fused Tetracyanonaphthoquinodimethanes (DT-TNAPs): synthesis and characterization of π-extended quinoidal compounds for n-channel organic semiconductor.","Organic letters","2014","16","1","240","243","10.1021/ol403234q","","","0.7107","MoKα","","0.0623","0.0482","","","0.1319","0.1438","","","","","","0.936","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513561","10.561","0.003","14.952","0.004","12.363","0.004","90","","107.937","0.004","90","","1857.3","0.9","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","TIPSNDT3Q2","TIPSNDT3Q2","","- C38 H46 N4 S2 Si2 -","- C38 H46 N4 S2 Si2 -","- C76 H92 N8 S4 Si4 -","2","0.5","","Yanai, Naoyuki; Mori, Takamichi; Shinamura, Shoji; Osaka, Itaru; Takimiya, Kazuo","Dithiophene-Fused Tetracyanonaphthoquinodimethanes (DT-TNAPs): synthesis and characterization of π-extended quinoidal compounds for n-channel organic semiconductor.","Organic letters","2014","16","1","240","243","10.1021/ol403234q","","","0.71073","MoKα","","0.0636","0.0452","","","0.1082","0.1198","","","","","","1.038","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513562","9.5712","0.0008","11.3652","0.0009","18.3894","0.0013","72.646","0.007","84.919","0.007","72.923","0.007","1825.1","0.3","294.5","0.6","294.5","0.6","","","","","","","","3","P -1","-P 1","2","","","","- C12 H18 O4 -","- C12 H18 O4 -","- C72 H108 O24 -","6","3","","Pan, Zhiqiang; Zheng, Cunying; Wang, Hongyu; Chen, Yanhe; Li, Yun; Cheng, Bin; Zhai, Hongbin","Total synthesis of (±)-sculponeatin N.","Organic letters","2014","16","1","216","219","10.1021/ol403208g","","","1.5418","CuKα","","0.0896","0.0772","","","0.2633","0.3268","","","","","","1.427","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513563","18.279","0.0011","6.5834","0.0003","15.098","0.0007","90","","96.08","0.005","90","","1806.64","0.16","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","","Pan, Zhiqiang; Zheng, Cunying; Wang, Hongyu; Chen, Yanhe; Li, Yun; Cheng, Bin; Zhai, Hongbin","Total synthesis of (±)-sculponeatin N.","Organic letters","2014","16","1","216","219","10.1021/ol403208g","","","0.7107","MoKα","","0.0888","0.063","","","0.1578","0.173","","","","","","1.087","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513564","7.0862","0.0004","24.1874","0.0017","20.3324","0.0013","90","","94.376","0.006","90","","3474.7","0.4","294.7","0.3","294.7","0.3","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H27.5 O4 -","- C20 H27.5 O4 -","- C160 H220 O32 -","8","2","","Pan, Zhiqiang; Zheng, Cunying; Wang, Hongyu; Chen, Yanhe; Li, Yun; Cheng, Bin; Zhai, Hongbin","Total synthesis of (±)-sculponeatin N.","Organic letters","2014","16","1","216","219","10.1021/ol403208g","","","0.71073","MoKα","","0.1554","0.0899","","","0.2304","0.2895","","","","","","1.025","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513565","8.4671","0.0007","11.9089","0.0011","12.8735","0.0011","70.766","0.008","75.194","0.008","77.187","0.008","1171.4","0.19","295.08","0.1","295.08","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H36 O4 Si -","- C23 H36 O4 Si -","- C46 H72 O8 Si2 -","2","1","","Pan, Zhiqiang; Zheng, Cunying; Wang, Hongyu; Chen, Yanhe; Li, Yun; Cheng, Bin; Zhai, Hongbin","Total synthesis of (±)-sculponeatin N.","Organic letters","2014","16","1","216","219","10.1021/ol403208g","","","0.7107","MoKα","","0.1298","0.0761","","","0.2335","0.3166","","","","","","0.962","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513811","17.462","0.004","6.347","0.0013","13.727","0.003","90","","110.83","0.03","90","","1421.9","0.6","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 F N O2 S -","- C15 H20 F N O2 S -","- C60 H80 F4 N4 O8 S4 -","4","1","","Cui, Jian; Jia, Qun; Feng, Ruo-Zhu; Liu, Shan-Shan; He, Tian; Zhang, Chi","Boron trifluoride etherate functioning as a fluorine source in an iodosobenzene-mediated intramolecular aminofluorination of homoallylic amines.","Organic letters","2014","16","5","1442","1445","10.1021/ol500238k","","","0.71073","MoKα","","0.0415","0.0345","","","0.0973","0.1017","","","","","","1.09","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513812","10.3289","0.0019","12.271","0.002","27.811","0.005","90","","90","","90","","3524.9","1.1","113","2","113","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H17 F4 N O2 S -","- C18 H17 F2.719 N O2 S -","- C144 H136 F21.752 N8 O16 S8 -","8","1","","Cui, Jian; Jia, Qun; Feng, Ruo-Zhu; Liu, Shan-Shan; He, Tian; Zhang, Chi","Boron trifluoride etherate functioning as a fluorine source in an iodosobenzene-mediated intramolecular aminofluorination of homoallylic amines.","Organic letters","2014","16","5","1442","1445","10.1021/ol500238k","","","0.71073","MoKα","","0.0558","0.0491","","","0.1283","0.134","","","","","","1.055","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513813","6.189","0.001","12.134","0.0014","19.64","0.007","90","","94.544","0.005","90","","1470.3","0.6","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 F N O2 S -","- C15 H22 F N O2 S -","- C60 H88 F4 N4 O8 S4 -","4","1","","Cui, Jian; Jia, Qun; Feng, Ruo-Zhu; Liu, Shan-Shan; He, Tian; Zhang, Chi","Boron trifluoride etherate functioning as a fluorine source in an iodosobenzene-mediated intramolecular aminofluorination of homoallylic amines.","Organic letters","2014","16","5","1442","1445","10.1021/ol500238k","","","0.71075","MoKα","","0.0514","0.0382","","","0.0973","0.1001","","","","","","0.979","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513814","6.1325","0.001","7.0271","0.0012","34.947","0.004","90","","90.605","0.004","90","","1505.9","0.4","113","2","113","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C17 H18 F N O2 S -","- C17 H18 F N O2 S -","- C68 H72 F4 N4 O8 S4 -","4","2","","Cui, Jian; Jia, Qun; Feng, Ruo-Zhu; Liu, Shan-Shan; He, Tian; Zhang, Chi","Boron trifluoride etherate functioning as a fluorine source in an iodosobenzene-mediated intramolecular aminofluorination of homoallylic amines.","Organic letters","2014","16","5","1442","1445","10.1021/ol500238k","","","0.71075","MoKα","","0.0446","0.04","","","0.0972","0.1013","","","","","","1.002","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513815","6.28","0.0008","19.188","0.002","12.903","0.0015","90","","96.84","0.005","90","","1543.8","0.3","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 F N O2 S -","- C14.76 H21.4 F0.88 N O2 S -","- C59.04 H85.6 F3.52 N4 O8 S4 -","4","1","","Cui, Jian; Jia, Qun; Feng, Ruo-Zhu; Liu, Shan-Shan; He, Tian; Zhang, Chi","Boron trifluoride etherate functioning as a fluorine source in an iodosobenzene-mediated intramolecular aminofluorination of homoallylic amines.","Organic letters","2014","16","5","1442","1445","10.1021/ol500238k","","","0.71075","MoKα","","0.0638","0.0421","","","0.1027","0.1136","","","","","","1.068","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513816","7.6488","0.0011","16.8386","0.0013","17.921","0.0019","90","","90","","90","","2308.1","0.4","293","2","293","2","","","","","","","","6","P 2 21 21","P 2bc 2","18","","","","- C20 H20 Cl F3 N2 O5 -","- C20 H16 Cl F3 N2 O3 -","- C80 H64 Cl4 F12 N8 O12 -","4","1","","Chen, Qiao; Wang, Guoqiang; Jiang, Xianxing; Xu, Zhaoqing; Lin, Li; Wang, Rui","Highly enantioselective organocatalyzed vinylogous Michael-type reaction for the construction of trifluoromethylated all-carbon quaternary stereocenters.","Organic letters","2014","16","5","1394","1397","10.1021/ol500157b","","","0.71073","MoKα","","0.1738","0.1035","","","0.2653","0.3379","","","","","","0.961","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513817","13.1171","0.0008","13.503","0.0008","22.5774","0.0013","95.97","0.003","100.719","0.003","115.78","0.003","3459.9","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","HG82D","","- C21 H16 B F4 N3 -","- C21 H16 B F4 N3 -","- C168 H128 B8 F32 N24 -","8","4","","Alawode, Olajide E.; Naganaboina, Vijaya Kumar; Liyanage, Thakshila; Desper, John; Rayat, Sundeep","One-pot cascade approach to phenanthridine-fused quinazoliniminiums from heteroenyne-allenes.","Organic letters","2014","16","5","1494","1497","10.1021/ol500314x","","","0.71073","MoKα","","0.1198","0.068","","","0.1589","0.1873","","","","","","1.021","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513818","11.0318","0.0006","6.8167","0.0003","21.8563","0.0011","90","","94.287","0.002","90","","1639.01","0.14","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","II-VKN-91","","- C20 H14 B F4 N3 -","- C20 H14 B F4 N3 -","- C80 H56 B4 F16 N12 -","4","1","","Alawode, Olajide E.; Naganaboina, Vijaya Kumar; Liyanage, Thakshila; Desper, John; Rayat, Sundeep","One-pot cascade approach to phenanthridine-fused quinazoliniminiums from heteroenyne-allenes.","Organic letters","2014","16","5","1494","1497","10.1021/ol500314x","","","0.71073","MoKα","","0.0566","0.0461","","","0.1328","0.1422","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513819","15.1901","0.0005","5.6134","0.0002","39.9231","0.0017","90","","93.453","0.003","90","","3398","0.2","100","","100","","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C32 H50 N2 O3 S -","- C32 H50 N2 O3 S -","- C128 H200 N8 O12 S4 -","4","1","","Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Shah, Rushabh S.; Thompson, Amber L.; Thomson, James E.","(-)-(2S,3R,Z)-Nakinadine A: First Asymmetric Synthesis and Absolute Configuration Assignment.","Organic letters","2014","16","5","1354","1357","10.1021/ol500096r","","","0.6889","synchrotron","","0.0767","0.0672","","0.2067","0.1881","0.2067","","","","","","1.0026","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513820","7.618","0.005","8.981","0.005","18.678","0.012","90","","93.644","0.01","90","","1275.3","1.4","373","2","373","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","2","","Zhang, Dewu; Ge, Hanlin; Zou, Jian-Hua; Tao, Xiaoyu; Chen, Ridao; Dai, Jungui","Periconianone A, a New 6/6/6 Carbocyclic Sesquiterpenoid from Endophytic Fungus Periconia sp. with Neural Anti-inflammatory Activity.","Organic letters","2014","16","5","1410","1413","10.1021/ol500197x","","","1.54178","CuKα","","0.0422","0.0414","","","0.101","0.1021","","","","","","1.048","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513821","15.769","0.012","27.12","0.02","11.319","0.009","90","","90","","90","","4841","6","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C44.4 H34.4 Cl7.2 N4 O8 S2 -","- C44.4 H34 Cl7.2 N4 O8 S2 -","- C177.6 H136 Cl28.8 N16 O32 S8 -","4","1","","Ema, Tadashi; Okuda, Keiichi; Watanabe, Sagiri; Yamasaki, Takayuki; Minami, Tsuyoshi; Esipenko, Nina A.; Anzenbacher, Jr, Pavel","Selective anion sensing by chiral macrocyclic receptors with multiple hydrogen-bonding sites","Organic Letters","2014","16","5","1302","1305","10.1021/ol403643d","","","0.71075","MoKα","","0.0626","0.0601","","","0.1639","0.1665","","","","","","1.091","","","","has coordinates,has disorder","218602","2020-10-21","18:00:00",""
"1513822","10.0375","0.001","41.669","0.003","10.5117","0.0009","90","","110.473","0.004","90","","4118.8","0.6","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C46 H37 N7 O10 -","- C46 H37 N7 O10 -","- C184 H148 N28 O40 -","4","2","","Ema, Tadashi; Okuda, Keiichi; Watanabe, Sagiri; Yamasaki, Takayuki; Minami, Tsuyoshi; Esipenko, Nina A.; Anzenbacher, Jr, Pavel","Selective anion sensing by chiral macrocyclic receptors with multiple hydrogen-bonding sites","Organic Letters","2014","16","5","1302","1305","10.1021/ol403643d","","","0.71075","MoKα","","","0.0503","","","","0.1151","","","","","","1.072","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513823","11.6577","0.0002","12.319","0.0002","18.3198","0.0003","90","","90","","90","","2630.93","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H34 O11 -","- C29 H34 O11 -","- C116 H136 O44 -","4","1","","Shi, Yi-Ming; Yang, Jie; Xu, Li; Li, Xiao-Nian; Shang, Shan-Zhai; Cao, Peng; Xiao, Wei-Lie; Sun, Han-Dong","Structural Characterization and Antioxidative Activity of Lancifonins: Unique Nortriterpenoids from Schisandra lancifolia.","Organic letters","2014","16","5","1370","1373","10.1021/ol5001186","","","1.54178","CuKα","","0.0278","0.0277","","","0.0688","0.0689","","","","","","1.117","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513824","10.9599","0.0015","12.1631","0.0017","14.371","0.002","102.481","0.002","108.708","0.002","101.479","0.002","1695.4","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H25 Cl O9 -","- C42 H25 Cl O9 -","- C84 H50 Cl2 O18 -","2","1","","Shu, Wen-Ming; Ma, Jun-Rui; Yang, Yan; Wu, An-Xin","An Efficient Synthesis of Novel Fused Cycloheptatrienes through Mn(II)-Mediated Formal Intermolecular [2 + 2 + 2 + 1] Cycloaddition.","Organic letters","2014","16","5","1286","1289","10.1021/ol500202q","","","0.71073","MoKα","","0.063","0.0504","","","0.1497","0.1654","","","","","","1.041","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513825","8.47047","0.0001","14.19176","0.00018","21.8094","0.0003","90","","90","","90","","2621.73","0.06","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H42 O6 -","- C28 H42 O6 -","- C112 H168 O24 -","4","1","","Xue, Jinghua; Wu, Ping; Xu, Liangxiong; Wei, Xiaoyi","Penicillitone, a Potent in Vitro Anti-inflammatory and Cytotoxic Rearranged Sterol with an Unusual Tetracycle Core Produced by Penicillium purpurogenum.","Organic letters","2014","16","5","1518","1521","10.1021/ol500418f","","","1.54184","CuKα","","0.0318","0.0307","","","0.0783","0.0793","","","","","","1.086","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513826","7.1144","0.0005","26.573","0.002","9.7522","0.0007","90","","101.267","0.002","90","","1808.1","0.2","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H23 Br F2 O3 Si Zn -","- C10 H23 Br F2 O3 Si Zn -","- C40 H92 Br4 F8 O12 Si4 Zn4 -","4","1","","Kosobokov, Mikhail D.; Levin, Vitalij V.; Zemtsov, Artem A.; Struchkova, Marina I.; Korlyukov, Alexander A.; Arkhipov, Dmitry E.; Dilman, Alexander D.","Geminal Silicon/Zinc Reagent as an Equivalent of Difluoromethylene Bis-carbanion.","Organic letters","2014","16","5","1438","1441","10.1021/ol5002297","","","0.71073","MoKα","","0.123","0.0491","","","0.1115","0.142","","","","","","0.996","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513827","4.62","0.0001","14.0234","0.0003","15.5359","0.0004","99.0404","0.0015","95.4568","0.0014","99.291","0.002","973.48","0.04","99","2","99","2","","","","","","","","4","P -1","-P 1","2","C12-QNDT-CN","","","- C44 H54 N4 S2 -","- C44 H54 N4 S2 -","- C44 H54 N4 S2 -","1","0.5","","Mori, Takamichi; Yanai, Naoyuki; Osaka, Itaru; Takimiya, Kazuo","Quinoidal Naphtho[1,2-b:5,6-b']dithiophenes for Solution-Processed n-Channel Organic Field-Effect Transistors.","Organic letters","2014","16","5","1334","1337","10.1021/ol5000567","","","1.54187","CuKα","","0.1009","0.0692","","","0.1628","0.2009","","","","","","0.965","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513828","12.674","0.0002","18.0944","0.0003","21.0316","0.0003","90","","92.142","0.001","90","","4819.77","0.13","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","Kinghorn 1937","","","- C28 H30 O7 -","- C28 H30 O7 -","- C224 H240 O56 -","8","2","","Bueno Pérez, Lynette; Pan, Li; Muñoz Acuña, Ulyana; Li, Jie; Chai, Hee-Byung; Gallucci, Judith C.; Ninh, Tran Ngoc; Carcache de Blanco, Esperanza J.; Soejarto, Djaja D.; Kinghorn, A. Douglas","Caeruleanone A, a Rotenoid with a New Arrangement of the D-Ring from the Fruits of Millettia caerulea.","Organic letters","2014","16","5","1462","1465","10.1021/ol500266z","","x-ray","0.71073","MoKα","","0.0725","0.0428","","","0.1012","0.114","","","","","","1.045","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513829","9.2285","0.0004","12.5843","0.0005","12.7057","0.0005","99.428","0.002","109.693","0.002","94.741","0.002","1355.32","0.1","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C23 H40 I N O5 Si2 -","- C23 H40 I N O5 Si2 -","- C46 H80 I2 N2 O10 Si4 -","2","2","","Coste, Alexis; Bayle, Alexandre; Marrot, Jérome; Evano, Gwilherm","A Convergent Synthesis of the Fully Elaborated Macrocyclic Core of TMC-95A.","Organic letters","2014","16","5","1306","1309","10.1021/ol403675c","","","0.71073","MoKα","","0.0185","0.0173","","","0.043","0.0607","","","","","","1.213","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513830","9.373","0.003","12.818","0.005","27.701","0.011","90","","90","","90","","3328","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H49 I N2 O6 Si2 -","- C28 H49 I N2 O6 Si2 -","- C112 H196 I4 N8 O24 Si8 -","4","1","","Coste, Alexis; Bayle, Alexandre; Marrot, Jérome; Evano, Gwilherm","A Convergent Synthesis of the Fully Elaborated Macrocyclic Core of TMC-95A.","Organic letters","2014","16","5","1306","1309","10.1021/ol403675c","","","0.71073","MoKα","","0.0296","0.0253","","","0.069","0.0793","","","","","","1.273","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513831","15.6616","0.0006","36.288","0.0012","19.8167","0.0007","90","","93.443","0.002","90","","11242.1","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H38 I N O5 Si2 -","- C23 H38 I N O5 Si2 -","- C368 H608 I16 N16 O80 Si32 -","16","8","","Coste, Alexis; Bayle, Alexandre; Marrot, Jérome; Evano, Gwilherm","A Convergent Synthesis of the Fully Elaborated Macrocyclic Core of TMC-95A.","Organic letters","2014","16","5","1306","1309","10.1021/ol403675c","","","0.71073","MoKα","","0.1305","0.0744","","","0.1857","0.2164","","","","","","1.032","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513832","12.036","0.002","16.67","0.003","24.484","0.005","89.4","0.03","85.2","0.03","83.07","0.03","4859.5","1.6","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C46.5 H62 N8 O8 -","- C46.5 H62 N8 O8 -","- C186 H248 N32 O32 -","4","2","","Tron, Arnaud; Thornton, Peter J.; Rocher, Mathias; Jacquot de Rouville, Henri-Pierre; Desvergne, Jean-Pierre; Kauffmann, Brice; Buffeteau, Thierry; Cavagnat, Dominique; Tucker, James H. R.; McClenaghan, Nathan D.","Formation of a hydrogen-bonded barbiturate [2]-rotaxane.","Organic letters","2014","16","5","1358","1361","10.1021/ol500099u","","","1.54178","CuKα","","0.2336","0.1779","","","0.3994","0.4302","","","","","","1.512","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513833","8.90819","0.00016","9.29032","0.00017","48.8609","0.0009","90","","90","","90","","4043.72","0.13","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 Br I N O -","- C23 H19 Br I N O -","- C184 H152 Br8 I8 N8 O8 -","8","2","","Tabata, Hidetsugu; Kayama, Susumu; Takahashi, Yuka; Tani, Norihiko; Wakamatsu, Shintaro; Tasaka, Tomohiko; Oshitari, Tetsuta; Natsugari, Hideaki; Takahashi, Hideyo","A complete gear system in N-benzoyl-carbazole derivatives.","Organic letters","2014","16","5","1514","1517","10.1021/ol500417t","","","1.54187","CuKα","","","0.0471","","","","0.0856","","","","","","1.268","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513834","9.87619","0.00018","13.817","0.0003","15.2234","0.0003","90","","90","","90","","2077.37","0.07","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 Br I N O -","- C23 H19 Br I N O -","- C92 H76 Br4 I4 N4 O4 -","4","1","","Tabata, Hidetsugu; Kayama, Susumu; Takahashi, Yuka; Tani, Norihiko; Wakamatsu, Shintaro; Tasaka, Tomohiko; Oshitari, Tetsuta; Natsugari, Hideaki; Takahashi, Hideyo","A complete gear system in N-benzoyl-carbazole derivatives.","Organic letters","2014","16","5","1514","1517","10.1021/ol500417t","","","1.54187","CuKα","","","0.0392","","","","0.0811","","","","","","1.142","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513835","35.727","0.0013","13.896","0.0003","19.912","0.0008","90","","116.668","0.001","90","","8834","0.5","173","2","173","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C46 H55 Cl3 N3 O P S2 -","- C46 H55 Cl3 N3 O P S2 -","- C368 H440 Cl24 N24 O8 P8 S16 -","8","2","","He, Xiaoming; Lin, Jian-Bin; Kan, Wang Hay; Trudel, Simon; Baumgartner, Thomas","Synthesis and properties of cholesteric click-phospholes.","Organic letters","2014","16","5","1366","1369","10.1021/ol500129p","","","0.71073","MoKα","","0.1163","0.0824","","","0.2221","0.2672","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513906","11.695","0.002","18.236","0.003","13.348","0.002","90","","108.795","0.002","90","","2694.9","0.8","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 O6 -","- C36 H24 O6 -","- C144 H96 O24 -","4","1","","Gao, Qinghe; Wu, Xia; Liu, Shan; Wu, Anxin","I2-Promoted Selective Oxidative Cross-Coupling/Annulation of 2-Naphthols with Methyl Ketones: A Strategy To Build Naphtho[2,1-b]furan-1(2H)-ones with a Quaternary Center.","Organic letters","2014","16","6","1732","1735","10.1021/ol5004093","","","0.71073","MoKα","","0.0536","0.0428","","","0.1177","0.1255","","","","","","1.064","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513907","22.141","0.003","9.7407","0.0014","18.082","0.004","90","","120.784","0.002","90","","3350.3","1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H16 O3 S -","- C21 H16 O3 S -","- C168 H128 O24 S8 -","8","1","","Gao, Qinghe; Wu, Xia; Liu, Shan; Wu, Anxin","I2-Promoted Selective Oxidative Cross-Coupling/Annulation of 2-Naphthols with Methyl Ketones: A Strategy To Build Naphtho[2,1-b]furan-1(2H)-ones with a Quaternary Center.","Organic letters","2014","16","6","1732","1735","10.1021/ol5004093","","","0.71073","MoKα","","0.0585","0.0482","","","0.1398","0.1653","","","","","","1.112","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513908","11.636","0.002","15.963","0.003","19.746","0.004","102.414","0.002","101.791","0.002","108.945","0.002","3235.3","1.1","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C75.32 H68.31 Cl1.98 N8 Ni2 O0.31 -","- C75.32 H68.31 Cl1.98 N8 Ni2 O0.312 -","- C150.64 H136.62 Cl3.96 N16 Ni4 O0.624 -","2","1","","Oda, Kazuma; Akita, Masanari; Hiroto, Satoru; Shinokubo, Hiroshi","Silylethynyl substituents as porphyrin protecting groups for solubilization and selectivity control.","Organic letters","2014","16","6","1818","1821","10.1021/ol500569b","","","0.71075","MoKα","","0.0733","0.0547","","","0.1527","0.1756","","","","","","1.13","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513909","10.0289","0.0012","11.1264","0.0013","24.23","0.003","90","","90","","90","","2703.7","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","arai39","","","- C15 H13 N O3 S -","- C15 H13 N O3 S -","- C120 H104 N8 O24 S8 -","8","2","","Arai, Takayoshi; Yamamoto, Yushi","Diversity-Oriented Asymmetric Catalysis (DOAC): Stereochemically Divergent Synthesis of Thiochromanes Using an Imidazoline-Aminophenol-Nickel-Catalyzed Michael/Henry Reaction.","Organic letters","2014","16","6","1700","1703","10.1021/ol500361w","","","0.71073","MoKα","","0.0532","0.04","","","0.0915","0.106","","","","","","1.064","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513910","15.833","0.004","10.199","0.002","11.895","0.003","90","","90","","90","","1920.8","0.8","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H26 Cl N O5 -","- C19 H26 Cl N O5 -","- C76 H104 Cl4 N4 O20 -","4","1","","Ghavimi, Bahman; Magnus, Philip","Total synthesis of 8,14-dihydromorphinandienone alkaloids.","Organic letters","2014","16","6","1708","1711","10.1021/ol500368p","","","0.71073","MoKα","","0.0581","0.0478","","","0.1118","0.1169","","","","","","1.169","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513911","10.348","0.003","10.853","0.003","17.384","0.005","102.934","0.006","93.21","","103.857","0.006","1835","0.9","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N O7 -","- C20 H21 N O7 -","- C80 H84 N4 O28 -","4","2","","Ghavimi, Bahman; Magnus, Philip","Total synthesis of 8,14-dihydromorphinandienone alkaloids.","Organic letters","2014","16","6","1708","1711","10.1021/ol500368p","","","0.71075","MoKα","","0.22","0.0839","","","0.1449","0.1902","","","","","","1.069","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513912","7.8437","0.0015","13.259","0.002","16.12","0.002","90","","90","","90","","1676.5","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","","Ghavimi, Bahman; Magnus, Philip","Total synthesis of 8,14-dihydromorphinandienone alkaloids.","Organic letters","2014","16","6","1708","1711","10.1021/ol500368p","","","0.71075","MoKα","","0.0302","0.0289","","","0.0745","0.0753","","","","","","1.159","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513913","9.0867","0.0015","10.101","0.002","11.628","0.002","70.291","0.003","82.861","0.003","67.216","0.003","926.3","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N O7 -","- C20 H23 N O7 -","- C40 H46 N2 O14 -","2","1","","Ghavimi, Bahman; Magnus, Philip","Total synthesis of 8,14-dihydromorphinandienone alkaloids.","Organic letters","2014","16","6","1708","1711","10.1021/ol500368p","","","0.71073","MoKα","","0.0446","0.0406","","","0.106","0.1089","","","","","","1.038","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513914","12.166","0.002","15.353","0.0003","19.159","0.0003","90","","97.195","0.004","90","","3550.4","0.6","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C152 H160 O48 -","8","2","","Ghavimi, Bahman; Magnus, Philip","Total synthesis of 8,14-dihydromorphinandienone alkaloids.","Organic letters","2014","16","6","1708","1711","10.1021/ol500368p","","","0.71075","MoKα","","0.2105","0.1042","","","0.2149","0.249","","","","","","1.355","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513915","9.626","0.004","15.695","0.006","12.703","0.005","90","","100.641","0.006","90","","1886.2","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl N O5 -","- C20 H26 Cl N O5 -","- C80 H104 Cl4 N4 O20 -","4","1","","Ghavimi, Bahman; Magnus, Philip","Total synthesis of 8,14-dihydromorphinandienone alkaloids.","Organic letters","2014","16","6","1708","1711","10.1021/ol500368p","","","0.71075","MoKα","","0.0563","0.0523","","","0.1201","0.1226","","","","","","1.199","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513916","7.407","0.002","11.2","0.003","17.505","0.005","90","","90","","90","","1452.2","0.7","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N3 O2 -","- C16 H17 N3 O2 -","- C64 H68 N12 O8 -","4","1","","Li, Qiong; Zhang, Shu-Yu; He, Gang; Ai, Zhaoyan; Nack, William A.; Chen, Gong","Copper-catalyzed carboxamide-directed ortho amination of anilines with alkylamines at room temperature.","Organic letters","2014","16","6","1764","1767","10.1021/ol500464x","","","0.71073","MoKα","","0.0542","0.0441","","","0.1114","0.1184","","","","","","1.045","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513917","9.1774","0.001","9.9179","0.0011","18.81","0.002","89.777","0.002","88.17","0.002","88.491","0.002","1710.6","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N3 O2 -","- C20 H19 N3 O2 -","- C80 H76 N12 O8 -","4","2","","Li, Qiong; Zhang, Shu-Yu; He, Gang; Ai, Zhaoyan; Nack, William A.; Chen, Gong","Copper-catalyzed carboxamide-directed ortho amination of anilines with alkylamines at room temperature.","Organic letters","2014","16","6","1764","1767","10.1021/ol500464x","","","0.71073","MoKα","","0.1016","0.0589","","","0.1343","0.1533","","","","","","1.02","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513918","7.071","0.003","11.759","0.004","17.021","0.006","90","","90","","90","","1415.3","0.9","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 N4 O2 -","- C15 H16 N4 O2 -","- C60 H64 N16 O8 -","4","1","","Li, Qiong; Zhang, Shu-Yu; He, Gang; Ai, Zhaoyan; Nack, William A.; Chen, Gong","Copper-catalyzed carboxamide-directed ortho amination of anilines with alkylamines at room temperature.","Organic letters","2014","16","6","1764","1767","10.1021/ol500464x","","","0.71073","MoKα","","0.0547","0.046","","","0.11","0.1159","","","","","","1.037","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513919","9.522","0.003","15.626","0.004","19.401","0.005","90","","92.289","0.005","90","","2884.4","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N4 O2 -","- C15 H16 N4 O2 -","- C120 H128 N32 O16 -","8","2","","Li, Qiong; Zhang, Shu-Yu; He, Gang; Ai, Zhaoyan; Nack, William A.; Chen, Gong","Copper-catalyzed carboxamide-directed ortho amination of anilines with alkylamines at room temperature.","Organic letters","2014","16","6","1764","1767","10.1021/ol500464x","","","0.71073","MoKα","","0.1518","0.1077","","","0.2676","0.2909","","","","","","1.081","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513920","22.866","0.006","7.402","0.002","19.103","0.005","90","","101.646","0.004","90","","3166.7","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Br N3 O2 -","- C16 H16 Br N3 O2 -","- C128 H128 Br8 N24 O16 -","8","1","","Li, Qiong; Zhang, Shu-Yu; He, Gang; Ai, Zhaoyan; Nack, William A.; Chen, Gong","Copper-catalyzed carboxamide-directed ortho amination of anilines with alkylamines at room temperature.","Organic letters","2014","16","6","1764","1767","10.1021/ol500464x","","","0.71073","MoKα","","0.0628","0.0371","","","0.1107","0.1226","","","","","","0.945","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513921","10.649","0.008","19.364","0.014","22.911","0.016","90","","100.61","0.03","90","","4644","6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-[Leu-(R)Gamma Val]5-OMe","t-Butyloxycarbonyl-[leucyl-R-Gamma-valyl]5-methyl ester","","- C73 H132 N10 O17 -","- C73 H132 N10 O17 -","- C146 H264 N20 O34 -","2","1","","Sonti, Rajesh; Dinesh, Bhimareddy; Basuroy, Krishnayan; Raghothama, Srinivasarao; Shamala, Narayanaswamy; Balaram, Padmanabhan","C12 Helices in Long Hybrid (αγ)n Peptides Composed Entirely of Unconstrained Residues with Proteinogenic Side Chains.","Organic letters","2014","16","6","1656","1659","10.1021/ol500307p","","","0.71073","MoKα","","0.4246","0.1178","","","0.2571","0.4086","","","","","","0.876","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513922","20.097","0.003","5.6328","0.0008","26.033","0.004","90","","105.683","0.009","90","","2837.3","0.7","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H25 N O4 -","- C13 H25 N O4 -","- C104 H200 N8 O32 -","8","2","","Rigoli, Jared W.; Guzei, Ilia A.; Schomaker, Jennifer M.","Aminodiols via Stereocontrolled Oxidation of Methyleneaziridines.","Organic letters","2014","16","6","1696","1699","10.1021/ol5003576","","x-ray","1.54178","CuKα","","0.0409","0.0348","","","0.0894","0.0937","","","","","","1.032","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513923","13.862","0.0009","9.1079","0.0009","10.5256","0.0014","90","","102.094","0.004","90","","1299.4","0.2","100.26","","100.26","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H23 N O4 -","- C12 H23 N O4 -","- C48 H92 N4 O16 -","4","1","","Rigoli, Jared W.; Guzei, Ilia A.; Schomaker, Jennifer M.","Aminodiols via Stereocontrolled Oxidation of Methyleneaziridines.","Organic letters","2014","16","6","1696","1699","10.1021/ol5003576","","x-ray","1.54178","CuKα","K-L~3~","0.0347","0.0341","","","0.0903","0.0911","","","","","","1.043","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513924","35.053","0.012","8.354","0.003","25.955","0.015","90","","129.604","0.011","90","","5856","5","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28.89 H34.77 N3 O10.94 -","- C28.888 H34.776 N3 O10.944 -","- C231.104 H278.208 N24 O87.552 -","8","1","","Rigoli, Jared W.; Guzei, Ilia A.; Schomaker, Jennifer M.","Aminodiols via Stereocontrolled Oxidation of Methyleneaziridines.","Organic letters","2014","16","6","1696","1699","10.1021/ol5003576","","x-ray","0.71073","MoKα","","0.0449","0.0402","","","0.107","0.111","","","","","","1.032","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513925","7.988","0.0007","13.4927","0.0012","15.604","0.002","108.116","0.005","93.05","0.005","104.286","0.005","1533.5","0.3","100","","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H31 N3 O10 -","- C27 H31 N3 O10 -","- C54 H62 N6 O20 -","2","1","","Rigoli, Jared W.; Guzei, Ilia A.; Schomaker, Jennifer M.","Aminodiols via Stereocontrolled Oxidation of Methyleneaziridines.","Organic letters","2014","16","6","1696","1699","10.1021/ol5003576","","x-ray","1.54178","CuKα","","0.0405","0.0393","","","0.1022","0.1034","","","","","","1.033","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513926","13.7974","0.0009","14.6937","0.0012","15.3341","0.0012","95.649","0.004","97.703","0.004","95.445","0.004","3047.3","0.4","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H76 F9 N3 O16 -","- C56 H76 F9 N3 O16 -","- C112 H152 F18 N6 O32 -","2","1","","Rigoli, Jared W.; Guzei, Ilia A.; Schomaker, Jennifer M.","Aminodiols via Stereocontrolled Oxidation of Methyleneaziridines.","Organic letters","2014","16","6","1696","1699","10.1021/ol5003576","","","1.54178","CuKα","","0.0807","0.0667","","","0.1543","0.163","","","","","","1.059","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513927","8.043","0.005","14.966","0.005","21.126","0.005","90","","91.963","0.005","90","","2541.5","1.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 Br N2 O10 -","- C28 H21 Br N2 O10 -","- C112 H84 Br4 N8 O40 -","4","1","","Castillo-Contreras, Emmanuel B; Dake, Gregory R.","DMAP Promoted Tandem Addition Reactions Forming Substituted Tetrahydroxanthones.","Organic letters","2014","16","6","1642","1645","10.1021/ol5002945","","","0.71073","MoKα","","0.0623","0.0396","","","0.0822","0.0895","","","","","","1.011","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513928","8.395","0.005","14.767","0.005","20.845","0.005","90","","92.298","0.005","90","","2582.1","1.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 N2 O10 -","- C30 H22 N2 O10 -","- C120 H88 N8 O40 -","4","1","","Castillo-Contreras, Emmanuel B; Dake, Gregory R.","DMAP Promoted Tandem Addition Reactions Forming Substituted Tetrahydroxanthones.","Organic letters","2014","16","6","1642","1645","10.1021/ol5002945","","","0.71073","MoKα","","0.0607","0.0441","","","0.113","0.1255","","","","","","1.015","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513929","10.1322","0.0002","14.72","0.0004","15.8556","0.0004","105.938","0.002","93.37","0.002","108.963","0.002","2121.81","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C75 H27 N O4 -","- C75 H27 N O4 -","- C150 H54 N2 O8 -","2","1","","Aroua, Safwan; Schweizer, W. Bernd; Yamakoshi, Yoko","C60 Pyrrolidine Bis-carboxylic Acid Derivative as a Versatile Precursor for Biocompatible Fullerenes.","Organic letters","2014","16","6","1688","1691","10.1021/ol500363r","","","1.54178","CuKα","","0.0694","0.055","","","0.1592","0.1692","","","","","","1.405","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513930","9.6185","0.0005","10.2636","0.0007","12.3384","0.0009","76.047","0.006","78.775","0.005","81.549","0.005","1153.08","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H24 Cl N -","- C31 H24 Cl N -","- C62 H48 Cl2 N2 -","2","1","","Bunescu, Ala; Wang, Qian; Zhu, Jieping","Three-Component Povarov Reaction-Heteroannulation with Arynes: Synthesis of 5,6-Dihydroindolo[1,2-a]quinolines.","Organic letters","2014","16","6","1756","1759","10.1021/ol500447r","","","0.71073","MoKα","","0.0782","0.0564","","","0.1359","0.15","","","","","","1.037","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513931","8.0659","0.0007","8.7522","0.0009","23.942","0.003","90","","90","","90","","1690.2","0.3","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","methyl 3-(p-chlorobenzoyl)-2-(2,3-dioxo-1H-indol-1-yl)propionate","","- C19 H14 Cl N O5 -","- C19 H14 Cl N O5 -","- C76 H56 Cl4 N4 O20 -","4","1","","Zari, Sergei; Kudrjashova, Marina; Pehk, Tõnis; Lopp, Margus; Kanger, Tõnis","Remote activation of the nucleophilicity of isatin.","Organic letters","2014","16","6","1740","1743","10.1021/ol500421k","","","0.71073","MoKα","","0.0462","0.0383","","","0.0933","0.0978","","","","","","1.032","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513932","10.2775","0.0006","11.529","0.0007","21.0711","0.0012","90","","101.425","0.001","90","","2447.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H25 N O2 S -","- C32 H25 N O2 S -","- C128 H100 N4 O8 S4 -","4","1","","Zhu, Can; Ma, Shengming","Efficient Carbazole Synthesis via Pd/Cu-Cocatalyzed Cross-Coupling/Isomerization of 2-Allyl-3-iodoindoles and Terminal Alkynes.","Organic letters","2014","16","6","1542","1545","10.1021/ol500119r","","","0.71073","MoKα","","0.0643","0.0572","","","0.1336","0.1379","","","","","","1.165","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513933","12.928","0.002","11.9718","0.0019","11.6528","0.0018","90","","114.04","0.002","90","","1647.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N O2 S -","- C20 H17 N O2 S -","- C80 H68 N4 O8 S4 -","4","1","","Zhu, Can; Ma, Shengming","Efficient Carbazole Synthesis via Pd/Cu-Cocatalyzed Cross-Coupling/Isomerization of 2-Allyl-3-iodoindoles and Terminal Alkynes.","Organic letters","2014","16","6","1542","1545","10.1021/ol500119r","","","0.71073","MoKα","","0.0564","0.0448","","","0.1114","0.1185","","","","","","1.039","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513934","11.29","0.0006","15.2347","0.0005","13.7812","0.0006","90","","110.517","0.005","90","","2220.01","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 F N O3 S -","- C26 H18 F N O3 S -","- C104 H72 F4 N4 O12 S4 -","4","1","","Li, Zexiang; Ling, Fei; Cheng, Dong; Ma, Cheng","Pd-Catalyzed Branching Cyclizations of Enediyne-Imides toward Furo[2,3-b]pyridines.","Organic letters","2014","16","6","1822","1825","10.1021/ol500574b","","","0.71073","MoKα","","0.0681","0.0453","","","0.1068","0.1215","","","","","","1.027","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513935","10.8495","0.0007","12.3266","0.0009","12.3307","0.0008","106.273","0.006","95.855","0.005","114.131","0.007","1399.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H29 N O -","- C37 H29 N O -","- C74 H58 N2 O2 -","2","1","","Li, Zexiang; Ling, Fei; Cheng, Dong; Ma, Cheng","Pd-Catalyzed Branching Cyclizations of Enediyne-Imides toward Furo[2,3-b]pyridines.","Organic letters","2014","16","6","1822","1825","10.1021/ol500574b","","","0.71073","MoKα","","0.0856","0.0506","","","0.1151","0.1371","","","","","","1.027","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513936","13.4073","0.0006","13.4502","0.0005","15.0436","0.0006","77.579","0.003","89.394","0.003","74.486","0.004","2549.62","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H24 Br N O3 S -","- C29 H24 Br N O3 S -","- C116 H96 Br4 N4 O12 S4 -","4","2","","Li, Zexiang; Ling, Fei; Cheng, Dong; Ma, Cheng","Pd-Catalyzed Branching Cyclizations of Enediyne-Imides toward Furo[2,3-b]pyridines.","Organic letters","2014","16","6","1822","1825","10.1021/ol500574b","","","0.71073","MoKα","","0.0862","0.0484","","","0.1086","0.1289","","","","","","1.018","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513937","13.442","0.001","23.75","0.002","9.908","0.001","90","","99.766","0.005","90","","3117.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H30 F6 N6 O3 S -","- C31 H30 F6 N6 O3 S -","- C124 H120 F24 N24 O12 S4 -","4","1","","Osorio-Planes, Laura; Rodríguez-Escrich, Carles; Pericàs, Miquel A","Photoswitchable thioureas for the external manipulation of catalytic activity.","Organic letters","2014","16","6","1704","1707","10.1021/ol500381c","","","0.71073","MoKα","","0.2077","0.0888","","","0.2002","0.2483","","","","","","1.031","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513938","8.695","0.005","9.993","0.005","13.764","0.008","80.053","0.017","87.203","0.018","75.852","0.017","1142.2","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 F6 N4 O2 S -","- C24 H18 F6 N4 O2 S -","- C48 H36 F12 N8 O4 S2 -","2","1","","Osorio-Planes, Laura; Rodríguez-Escrich, Carles; Pericàs, Miquel A","Photoswitchable thioureas for the external manipulation of catalytic activity.","Organic letters","2014","16","6","1704","1707","10.1021/ol500381c","","","0.71073","MoKα","","0.0863","0.0591","","","0.1592","0.1797","","","","","","0.986","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513939","8.915","0.0005","11.1839","0.0005","25.103","0.0011","90","","90","","90","","2502.9","0.2","291.31","0.12","291.31","0.12","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 Br N O5 -","- C29 H24 Br N O5 -","- C116 H96 Br4 N4 O20 -","4","1","","Zhao, Shuai; Lin, Jun-Bing; Zhao, Yuan-Yuan; Liang, Yong-Min; Xu, Peng-Fei","Hydrogen-Bond-Directed Formal [5 + 1] Annulations of Oxindoles with Ester-Linked Bisenones: Facile Access to Chiral Spirooxindole δ-Lactones.","Organic letters","2014","16","6","1802","1805","10.1021/ol500547e","","","0.7107","MoKα","","0.0787","0.0447","","","0.0784","0.0899","","","","","","1.028","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513940","8.4418","0.0011","10.0416","0.0012","12.6007","0.0015","71.386","0.002","80.108","0.002","80.498","0.003","990.2","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H19 N5 -","- C26 H19 N5 -","- C52 H38 N10 -","2","1","","Gulevskaya, Anna V.; Tyaglivy, Alexander S.; Pozharskii, Alexander F.; Nelina-Nemtseva, Julia I; Steglenko, Dmitry V.","Heterocyclization of Enediynes Promoted by Sodium Azide: A Case of Ambiguity of X-ray Data and Structure Revision.","Organic letters","2014","16","6","1582","1585","10.1021/ol500125j","","","0.71073","MoKα","","0.0584","0.0465","","","0.0977","0.1038","","","","","","1.019","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513941","7.6291","0.0006","12.2206","0.001","14.8111","0.0012","87.143","0.002","83.175","0.002","73.598","0.002","1315.1","0.18","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H19 N7 -","- C36 H19 N7 -","- C72 H38 N14 -","2","1","","Gulevskaya, Anna V.; Tyaglivy, Alexander S.; Pozharskii, Alexander F.; Nelina-Nemtseva, Julia I; Steglenko, Dmitry V.","Heterocyclization of Enediynes Promoted by Sodium Azide: A Case of Ambiguity of X-ray Data and Structure Revision.","Organic letters","2014","16","6","1582","1585","10.1021/ol500125j","","","0.71073","MoKα","","0.0645","0.0481","","","0.1216","0.1338","","","","","","1.023","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513942","9.586","0.0004","9.8319","0.0004","16.7791","0.0007","90","","91.418","0.001","90","","1580.92","0.11","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 N3 -","- C22 H15 N3 -","- C88 H60 N12 -","4","1","","Gulevskaya, Anna V.; Tyaglivy, Alexander S.; Pozharskii, Alexander F.; Nelina-Nemtseva, Julia I; Steglenko, Dmitry V.","Heterocyclization of Enediynes Promoted by Sodium Azide: A Case of Ambiguity of X-ray Data and Structure Revision.","Organic letters","2014","16","6","1582","1585","10.1021/ol500125j","","","0.71073","MoKα","","0.0499","0.0406","","","0.0996","0.1071","","","","","","1.025","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513943","13.0279","0.001","11.261","0.0009","11.0155","0.0009","90","","108.566","0.002","90","","1531.9","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N3 -","- C20 H17 N3 -","- C80 H68 N12 -","4","1","","Gulevskaya, Anna V.; Tyaglivy, Alexander S.; Pozharskii, Alexander F.; Nelina-Nemtseva, Julia I; Steglenko, Dmitry V.","Heterocyclization of Enediynes Promoted by Sodium Azide: A Case of Ambiguity of X-ray Data and Structure Revision.","Organic letters","2014","16","6","1582","1585","10.1021/ol500125j","","","0.71073","MoKα","","0.0604","0.0412","","","0.0848","0.0952","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513944","14.4399","0.001","7.9155","0.0006","26.9248","0.0019","90","","100.693","0.002","90","","3024","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 F3 N3 -","- C17 H16 F3 N3 -","- C136 H128 F24 N24 -","8","2","","Gulevskaya, Anna V.; Tyaglivy, Alexander S.; Pozharskii, Alexander F.; Nelina-Nemtseva, Julia I; Steglenko, Dmitry V.","Heterocyclization of Enediynes Promoted by Sodium Azide: A Case of Ambiguity of X-ray Data and Structure Revision.","Organic letters","2014","16","6","1582","1585","10.1021/ol500125j","","","0.71073","MoKα","","0.0626","0.049","","","0.1306","0.1438","","","","","","1.007","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513945","6.5295","0.0006","16.1868","0.0015","22.781","0.002","90","","90","","90","","2407.8","0.4","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","13315a","","","- C27 H32 N2 O4 S -","- C27 H32 N2 O4 S -","- C108 H128 N8 O16 S4 -","4","1","","Fang, Li-Chao; Hsung, Richard P.","Stereoselective Synthesis of Isoquinuclidines through an Aza-[4 + 2] Cycloaddition of Chiral Cyclic 2-Amidodienes.","Organic letters","2014","16","6","1826","1829","10.1021/ol500390a","","","1.54178","CuKα","","0.0274","0.025","","","0.0626","0.0638","","","","","","1.048","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513946","8.2102","0.001","7.2353","0.0009","29.835","0.004","90","","90.168","0.002","90","","1772.3","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H17 Cl N4 O4 -","- C18 H17 Cl N4 O4 -","- C72 H68 Cl4 N16 O16 -","4","2","","Yin, Qin; You, Shu-Li","Asymmetric Chlorination/Ring Expansion for the Synthesis of α-Quaternary Cycloalkanones.","Organic letters","2014","16","6","1810","1813","10.1021/ol5005565","","","0.71073","MoKα","","0.0591","0.0533","","","0.1413","0.148","","","","","","1.006","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513947","15.293","0.003","8.606","0.002","14.701","0.003","90","","106.01","0.004","90","","1859.8","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H8 F3 N O2 -","- C9 H8 F3 N O2 -","- C72 H64 F24 N8 O16 -","8","1","","Xie, Jin; Yuan, Xiangai; Abdukader, Ablimit; Zhu, Chengjian; Ma, Jing","Visible-light-promoted radical C-h trifluoromethylation of free anilines.","Organic letters","2014","16","6","1768","1771","10.1021/ol500469a","","","0.71073","MoKα","","0.0442","0.0372","","","0.1013","0.1119","","","","","","1.05","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513948","7.968","0.0016","15.3","0.003","16.954","0.003","90","","90","","90","","2066.9","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","4-(methylsulfonyl)-2-(trifluoromethyl)aniline","","","- C8 H8 F3 N O2 S -","- C8 H8 F3 N O2 S -","- C64 H64 F24 N8 O16 S8 -","8","1","","Xie, Jin; Yuan, Xiangai; Abdukader, Ablimit; Zhu, Chengjian; Ma, Jing","Visible-light-promoted radical C-h trifluoromethylation of free anilines.","Organic letters","2014","16","6","1768","1771","10.1021/ol500469a","","","0.71073","MoKα","","0.1027","0.059","","","0.1537","0.1802","","","","","","1","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513949","19.4814","0.0018","18.4101","0.0014","18.5749","0.0015","90","","99.456","0.006","90","","6571.4","1","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C121 H108 Cl2 O4 -","- C121 H108 Cl2 O4 -","- C242 H216 Cl4 O8 -","2","0.5","","Tran-Van, Anne-Florence; Huxol, Elena; Basler, Jonathan M.; Neuburger, Markus; Adjizian, Jean-Joseph; Ewels, Chris P.; Wegner, Hermann A.","Synthesis of substituted [8]cycloparaphenylenes by [2 + 2 + 2] cycloaddition.","Organic letters","2014","16","6","1594","1597","10.1021/ol500194s","","","1.5418","CuKα","","0.1478","0.0912","","0.2421","0.1038","0.1038","","","","","","1.1016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513950","7.8552","0.0008","5.5784","0.0006","24.405","0.003","90","","93.577","0.002","90","","1067.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 F3 N2 O -","- C11 H9 F3 N2 O -","- C44 H36 F12 N8 O4 -","4","1","","Wang, Shuai; Nie, Jing; Zheng, Yan; Ma, Jun-An","A direct copper-promoted three-component entry to trifluoromethylketoximes.","Organic letters","2014","16","6","1606","1609","10.1021/ol500203m","","","0.71073","MoKα","","0.0808","0.0469","","","0.1187","0.1403","","","","","","1.066","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513951","16.1601","0.0008","8.647","0.0004","22.3451","0.0011","90","","94.538","0.002","90","","3112.6","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H31 N O2 -","- C45 H31 N O2 -","- C180 H124 N4 O8 -","4","1","","Bock, Harald; Subervie, Daniel; Mathey, Pierre; Pradhan, Anirban; Sarkar, Parantap; Dechambenoit, Pierre; Hillard, Elizabeth A.; Durola, Fabien","Helicenes from diarylmaleimides.","Organic letters","2014","16","6","1546","1549","10.1021/ol500154k","","","0.71073","MoKα","","0.0555","0.0459","","","0.1246","0.134","","","","","","1.054","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513952","23.975","0.003","82.044","0.012","14.299","0.002","90","","90","","90","","28126","7","120","2","120","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C57 H59 N O2 -","- C57 H59 N O2 -","- C1368 H1416 N24 O48 -","24","","","Bock, Harald; Subervie, Daniel; Mathey, Pierre; Pradhan, Anirban; Sarkar, Parantap; Dechambenoit, Pierre; Hillard, Elizabeth A.; Durola, Fabien","Helicenes from diarylmaleimides.","Organic letters","2014","16","6","1546","1549","10.1021/ol500154k","","","0.71073","MoKα","","0.1044","0.0685","","","0.1855","0.2144","","","","","","1.036","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513953","27.41","0.003","7.7863","0.0008","22.292","0.002","90","","107.21","0.001","90","","4544.6","0.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","12195a","","","- C27 H27 N O5 -","- C27 H27 N O5 -","- C216 H216 N8 O40 -","8","1","","Kim, Yong Wook; Georg, Gunda I.","Boron-Heck Reaction of Cyclic Enaminones: Regioselective Direct Arylation via Oxidative Palladium(II) Catalysis.","Organic letters","2014","16","6","1574","1577","10.1021/ol500105d","","","0.71073","MoKα","","0.067","0.0417","","","0.0941","0.107","","","","","","1.029","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513954","10.0755","0.0014","13.4968","0.0019","13.586","0.002","90","","93.953","0.004","90","","1843.1","0.5","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 O5 -","- C23 H20 O5 -","- C92 H80 O20 -","4","1","","Yamamoto, Yoshihiko; Matsui, Kazuma; Shibuya, Masatoshi","Tandem ruthenium-catalyzed transfer-hydrogenative cyclization/intramolecular diels-alder reaction of enediynes affording dihydrocoumarin-fused polycycles.","Organic letters","2014","16","6","1806","1809","10.1021/ol500548x","","","0.71073","MoKα","","0.068","0.0519","","","0.1258","0.1358","","","","","","1.032","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513955","7.5175","0.0003","10.5792","0.0004","11.8536","0.0005","115.153","0.002","102.95","0.002","96.901","0.002","806.44","0.06","298","2","298","2","","","","","","","as described","4","P -1","-P 1","2","","trans-(2-allyl-2-methyl-3-oxotetrahydrofuran-5-yl)methyl 4-nitrobenzoate","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C32 H34 N2 O12 -","2","1","","Boyer, Alistair","Rhodium(II)-Catalyzed Stereocontrolled Synthesis of Dihydrofuran-3-imines from 1-Tosyl-1,2,3-triazoles.","Organic letters","2014","16","6","1660","1663","10.1021/ol500309x","","x-ray","0.71073","MoKα","","0.0604","0.0422","","","0.1078","0.1148","","","","","","1.059","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1514192","13.884","0.0012","8.9553","0.0008","24.8969","0.0015","90","","104.109","0.004","90","","3002.2","0.4","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H46 O2 -","- C38 H46 O2 -","- C152 H184 O8 -","4","1","","Taylor, Rupert G D; Carta, Mariolino; Bezzu, C Grazia; Walker, Jonathan; Msayib, Kadhum J; Kariuki, Benson M; McKeown, Neil B","Triptycene-based organic molecules of intrinsic microporosity.","Organic letters","2014","16","7","1848","1851","10.1021/ol500591q","","","0.71073","MoKα","","0.1763","0.1006","","","0.22","0.2538","","","","","","1.056","","","","has coordinates,has disorder","301776","2025-08-18","14:47:46",""
"1514193","19.538","0.005","8.798","0.005","20.033","0.005","90","","114.939","0.005","90","","3122","2","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H46 O2 -","- C38 H46 O2 -","- C152 H184 O8 -","4","1","","Taylor, Rupert G D; Carta, Mariolino; Bezzu, C Grazia; Walker, Jonathan; Msayib, Kadhum J; Kariuki, Benson M; McKeown, Neil B","Triptycene-based organic molecules of intrinsic microporosity.","Organic letters","2014","16","7","1848","1851","10.1021/ol500591q","","","0.71073","MoKα","","0.1452","0.0697","","","0.1405","0.1725","","","","","","1.015","","","","has coordinates,has disorder","301776","2025-08-18","14:47:46",""
"1514194","22.33","0.03","25.38","0.03","30.52","0.04","90","","110.84","0.001","90","","16165","4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C163.5 H165.5 Cl16.5 N2 O8 -","- C158 H160 N2 O8 -","- C632 H640 N8 O32 -","4","1","","Taylor, Rupert G D; Carta, Mariolino; Bezzu, C Grazia; Walker, Jonathan; Msayib, Kadhum J; Kariuki, Benson M; McKeown, Neil B","Triptycene-based organic molecules of intrinsic microporosity.","Organic letters","2014","16","7","1848","1851","10.1021/ol500591q","","","0.6889","","","0.1762","0.1411","","","0.3904","0.4248","","","","","","1.493","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514195","10.3108","0.0004","21.7962","0.0011","13.5496","0.0005","90","","96.881","0.003","90","","3023.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H41 Br O5 -","- C33 H41 Br O5 -","- C132 H164 Br4 O20 -","4","1","","Xu, Shiyan; Gu, Jixiang; Li, Huilin; Ma, Donghui; Xie, Xingang; She, Xuegong","Enantioselective total synthesis of (-)-walsucochin B.","Organic letters","2014","16","7","1996","1999","10.1021/ol500553x","","","0.7107","MoKα","","0.1088","0.0558","","","0.1218","0.1523","","","","","","1.04","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514196","10.4601","0.0008","21.5168","0.0017","9.1282","0.0007","90","","91.501","0.001","90","","2053.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 B Cl2 F2 N4 -","- C23 H15 B Cl2 F2 N4 -","- C92 H60 B4 Cl8 F8 N16 -","4","1","","Jiang, Ting; Zhang, Ping; Yu, Changjiang; Yin, Jian; Jiao, Lijuan; Dai, En; Wang, Jun; Wei, Yun; Mu, Xiaolong; Hao, Erhong","Straightforward Synthesis of Oligopyrroles through a Regioselective SNAr Reaction of Pyrroles and Halogenated Boron Dipyrrins.","Organic letters","2014","16","7","1952","1955","10.1021/ol500507f","","","0.71073","MoKα","","0.0479","0.04","","","0.1092","0.1162","","","","","","1.04","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514197","27.109","0.003","5.0418","0.0005","37.898","0.004","90","","106.676","0.001","90","","4962","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H23 B Cl2 F2 N4 -","- C27 H23 B Cl2 F2 N4 -","- C216 H184 B8 Cl16 F16 N32 -","8","1","","Jiang, Ting; Zhang, Ping; Yu, Changjiang; Yin, Jian; Jiao, Lijuan; Dai, En; Wang, Jun; Wei, Yun; Mu, Xiaolong; Hao, Erhong","Straightforward Synthesis of Oligopyrroles through a Regioselective SNAr Reaction of Pyrroles and Halogenated Boron Dipyrrins.","Organic letters","2014","16","7","1952","1955","10.1021/ol500507f","","","0.71073","MoKα","","0.0802","0.0521","","","0.1539","0.1744","","","","","","1.087","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514198","26.511","0.002","27.724","0.002","7.4876","0.0007","90","","90","","90","","5503.3","0.8","293","2","293","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C27 H24 Cl2 N4 -","- C27 H24 Cl2 N4 -","- C216 H192 Cl16 N32 -","8","","","Jiang, Ting; Zhang, Ping; Yu, Changjiang; Yin, Jian; Jiao, Lijuan; Dai, En; Wang, Jun; Wei, Yun; Mu, Xiaolong; Hao, Erhong","Straightforward Synthesis of Oligopyrroles through a Regioselective SNAr Reaction of Pyrroles and Halogenated Boron Dipyrrins.","Organic letters","2014","16","7","1952","1955","10.1021/ol500507f","","","0.71073","MoKα","","0.0676","0.0444","","","0.1008","0.1082","","","","","","1.05","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514199","9.6985","0.0009","25.546","0.003","17.0217","0.0017","90","","105.367","0.0019","90","","4066.5","0.7","113","2","113","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 -","- C30 H16 -","- C240 H128 -","8","2","","Nobusue, Shunpei; Yamane, Hiroshi; Miyoshi, Hirokazu; Tobe, Yoshito","[4.2](2,2')(2,2')biphenylophanetriyne: a twisted biphenylophane with a highly distorted diacetylene bridge.","Organic letters","2014","16","7","1940","1943","10.1021/ol5004934","","","0.71075","MoKα","","0.1225","0.0659","","","0.1433","0.1787","","","","","","1.024","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514200","6.6165","0.0005","18.9916","0.0011","11.2416","0.0007","90","","93.587","0.004","90","","1409.83","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N3 O -","- C16 H19 N3 O -","- C64 H76 N12 O4 -","4","1","","Vekariya, Rakesh H; Liu, Ruzhang; Aubé, Jeffrey","A concomitant allylic azide rearrangement/intramolecular azide-alkyne cycloaddition sequence.","Organic letters","2014","16","7","1844","1847","10.1021/ol500011f","","","1.54178","CuKα","","0.0522","0.0439","","","0.1123","0.1172","","","","","","1.051","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514201","6.614","0.0003","18.9847","0.0006","11.2005","0.0004","90","","90.675","0.002","90","","1406.29","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N3 O -","- C16 H19 N3 O -","- C64 H76 N12 O4 -","4","1","","Vekariya, Rakesh H; Liu, Ruzhang; Aubé, Jeffrey","A concomitant allylic azide rearrangement/intramolecular azide-alkyne cycloaddition sequence.","Organic letters","2014","16","7","1844","1847","10.1021/ol500011f","","","1.54178","CuKα","","0.0322","0.03","","","0.0769","0.0783","","","","","","1.037","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514202","15.5492","0.0008","10.0774","0.0005","19.0625","0.001","90","","90","","90","","2987","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H21 N3 O -","- C18 H21 N3 O -","- C144 H168 N24 O8 -","8","1","","Vekariya, Rakesh H; Liu, Ruzhang; Aubé, Jeffrey","A concomitant allylic azide rearrangement/intramolecular azide-alkyne cycloaddition sequence.","Organic letters","2014","16","7","1844","1847","10.1021/ol500011f","","","1.54178","CuKα","","0.0326","0.0326","","","0.0792","0.0792","","","","","","1.069","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514203","6.7407","0.0004","16.6911","0.001","13.8906","0.0008","90","","98.6652","0.0016","90","","1544.99","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N3 O -","- C18 H21 N3 O -","- C72 H84 N12 O4 -","4","1","","Vekariya, Rakesh H; Liu, Ruzhang; Aubé, Jeffrey","A concomitant allylic azide rearrangement/intramolecular azide-alkyne cycloaddition sequence.","Organic letters","2014","16","7","1844","1847","10.1021/ol500011f","","","1.54178","CuKα","","0.0341","0.034","","","0.0801","0.0802","","","","","","1.059","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514204","9.2253","0.0003","10.5676","0.0003","21.0165","0.0006","90","","97.559","0.001","90","","2031.08","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H31 N3 O2 -","- C22 H31 N3 O2 -","- C88 H124 N12 O8 -","4","1","","Vekariya, Rakesh H; Liu, Ruzhang; Aubé, Jeffrey","A concomitant allylic azide rearrangement/intramolecular azide-alkyne cycloaddition sequence.","Organic letters","2014","16","7","1844","1847","10.1021/ol500011f","","","1.54178","CuKα","","0.0336","0.033","","","0.0809","0.0812","","","","","","1.024","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514205","6.4163","0.0009","14.742","0.002","21.517","0.003","90","","90","","90","","2035.3","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 O5 -","- C24 H32 O5 -","- C96 H128 O20 -","4","1","","Wang, Sha-Sha; Shi, Yong; Tian, Wei-Sheng","Highly efficient and scalable synthesis of clionamine d.","Organic letters","2014","16","8","2177","2179","10.1021/ol500727c","","","0.71073","MoKα","","0.0898","0.0475","","","0.0996","0.1139","","","","","","0.965","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514206","18.5052","0.0017","10.5619","0.001","24.279","0.002","90","","104.446","0.003","90","","4595.3","0.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 N O2 S -","- C30 H23 N O2 S -","- C240 H184 N8 O16 S8 -","8","2","","Paul, Kartick; Bera, Krishnendu; Jalal, Swapnadeep; Sarkar, Soumen; Jana, Umasish","Fe-Catalyzed Novel Domino Isomerization/Cyclodehydration of Substituted 2-[(Indoline-3-ylidene)(methyl)]benzaldehyde Derivatives: An Efficient Approach toward Benzo[b]carbazole Derivatives.","Organic letters","2014","16","8","2166","2169","10.1021/ol500505k","","","0.71073","MoKα","","0.1605","0.059","","","0.1437","0.2084","","","","","","1.001","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514207","9.1082","0.0008","9.9885","0.0008","27.957","0.002","90","","90","","90","","2543.5","0.4","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H31 N O3 -","- C31 H31 N O3 -","- C124 H124 N4 O12 -","4","1","","Curto, John M; Dickstein, Joshua S; Berritt, Simon; Kozlowski, Marisa C","Asymmetric Synthesis of α-Allyl-α-Aryl α-Amino Acids by Tandem Alkylation/π-Allylation of α-Iminoesters.","Organic letters","2014","16","7","1948","1951","10.1021/ol500506t","","","1.54178","CuKα","","0.0232","0.0229","","","0.0576","0.0579","","","","","","0.997","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514208","9.0234","0.001","9.1282","0.0015","10.3014","0.0013","78.99","0.02","70.106","0.018","65.402","0.015","724.2","0.2","296","1","296","1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C32 H30 N2 O6 -","2","1","","Curto, John M; Dickstein, Joshua S; Berritt, Simon; Kozlowski, Marisa C","Asymmetric Synthesis of α-Allyl-α-Aryl α-Amino Acids by Tandem Alkylation/π-Allylation of α-Iminoesters.","Organic letters","2014","16","7","1948","1951","10.1021/ol500506t","","","0.71073","MoKα","","0.0586","0.0495","","","0.1367","0.15","","","","","","1.078","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514209","29.758","0.003","6.786","0.0007","16.7258","0.0018","90","","117.029","0.003","90","","3008.7","0.5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H33 N3 O9 S2 -","- C28 H33 N3 O9 S2 -","- C112 H132 N12 O36 S8 -","4","1","","Zhou, Jing; Yeung, Ying-Yeung","N-Bromosuccinimide-Induced Aminocyclization-Aziridine Ring-Expansion Cascade: An Asymmetric and Highly Stereoselective Approach toward the Synthesis of Azepane.","Organic letters","2014","16","8","2134","2137","10.1021/ol5005609","","","0.71073","MoKα","","0.0826","0.0536","","","0.1033","0.1122","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514210","11.0231","0.0016","6.0412","0.0008","17.742","0.003","90","","106.574","0.005","90","","1132.4","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H31 Br N2 O2 -","- C24 H31 Br N2 O2 -","- C48 H62 Br2 N4 O4 -","2","1","","Zhou, Jing; Yeung, Ying-Yeung","N-Bromosuccinimide-Induced Aminocyclization-Aziridine Ring-Expansion Cascade: An Asymmetric and Highly Stereoselective Approach toward the Synthesis of Azepane.","Organic letters","2014","16","8","2134","2137","10.1021/ol5005609","","","0.71073","MoKα","","0.062","0.0473","","","0.1097","0.115","","","","","","1.061","","","","has coordinates,has disorder","301776","2025-08-18","14:47:46",""
"1514211","15.553","0.005","9.326","0.005","32.444","0.005","90","","94.255","0.005","90","","4693","3","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H35 N O5 -","- C23 H35 N O5 -","- C184 H280 N8 O40 -","8","4","","Zhang, Xiaofei; Cividino, Pascale; Poisson, Jean-François; Shpak-Kraievskyi, Pavlo; Laurent, Mathieu Y; Martel, Arnaud; Dujardin, Gilles; Py, Sandrine","Asymmetric Synthesis of α,α-Disubstituted Amino Acids by Cycloaddition of (E)-Ketonitrones with Vinyl Ethers.","Organic letters","2014","16","7","1936","1939","10.1021/ol500483t","","x-ray","0.71073","MoKα","","0.0982","0.0669","","","0.1643","0.1808","","","","","","1.068","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514212","6.5131","0.0013","7.9315","0.0016","9.954","0.002","90.89","0.03","94.28","0.03","112.44","0.03","473.4","0.2","297","","297","","","","","","","","","4","P 1","P 1","1","","","","- C18 H25 N O6 -","- C18 H25 N O6 -","- C18 H25 N O6 -","1","1","","Zhang, Xiaofei; Cividino, Pascale; Poisson, Jean-François; Shpak-Kraievskyi, Pavlo; Laurent, Mathieu Y; Martel, Arnaud; Dujardin, Gilles; Py, Sandrine","Asymmetric Synthesis of α,α-Disubstituted Amino Acids by Cycloaddition of (E)-Ketonitrones with Vinyl Ethers.","Organic letters","2014","16","7","1936","1939","10.1021/ol500483t","","x-ray","1.54178","CuKα","","0.0679","0.0526","","","0.1394","0.1529","","","","","","1.045","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514213","26.5845","0.0009","9.3012","0.0003","14.1691","0.0004","90","","112.536","0.002","90","","3236.03","0.18","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H44 N O11 -","- C28 H44 N O11 -","- C112 H176 N4 O44 -","4","1","","Zhang, Xiaofei; Cividino, Pascale; Poisson, Jean-François; Shpak-Kraievskyi, Pavlo; Laurent, Mathieu Y; Martel, Arnaud; Dujardin, Gilles; Py, Sandrine","Asymmetric Synthesis of α,α-Disubstituted Amino Acids by Cycloaddition of (E)-Ketonitrones with Vinyl Ethers.","Organic letters","2014","16","7","1936","1939","10.1021/ol500483t","","","0.71073","MoKα","","0.098","0.0541","","","0.1463","0.1799","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514214","9.2339","0.0008","11.8223","0.0011","17.1508","0.0015","90","","98.572","0.002","90","","1851.4","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H20 F3 N O7 -","- C14 H20 F3 N O7 -","- C56 H80 F12 N4 O28 -","4","2","","Zhang, Xiaofei; Cividino, Pascale; Poisson, Jean-François; Shpak-Kraievskyi, Pavlo; Laurent, Mathieu Y; Martel, Arnaud; Dujardin, Gilles; Py, Sandrine","Asymmetric Synthesis of α,α-Disubstituted Amino Acids by Cycloaddition of (E)-Ketonitrones with Vinyl Ethers.","Organic letters","2014","16","7","1936","1939","10.1021/ol500483t","","","0.71073","MoKα","","0.1921","0.0601","","","0.0964","0.1313","","","","","","0.934","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514215","13.4387","0.001","11.3409","0.0008","13.8597","0.001","90","","97.954","0.0007","90","","2092","0.3","300","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N O2 S -","- C26 H21 N O2 S -","- C104 H84 N4 O8 S4 -","4","1","","Tatton, Matthew R; Simpson, Iain; Donohoe, Timothy J","De novo synthesis of multisubstituted aryl amines using alkene cross metathesis.","Organic letters","2014","16","7","1920","1923","10.1021/ol500441q","","","0.7107","MoKα","","0.09","0.0542","","0.1578","0.1231","0.1574","","","","","","0.977","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514216","13.287","0.0005","11.2749","0.0003","13.4828","0.0005","87.937","0.003","97.022","0.003","88.976","0.003","2002.9","0.12","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 N O2 S -","- C26 H21 N O2 S -","- C104 H84 N4 O8 S4 -","4","2","","Tatton, Matthew R; Simpson, Iain; Donohoe, Timothy J","De novo synthesis of multisubstituted aryl amines using alkene cross metathesis.","Organic letters","2014","16","7","1920","1923","10.1021/ol500441q","","","0.7107","MoKα","","0.0778","0.055","","0.1336","0.1167","0.1336","","","","","","0.9729","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514217","20.1806","0.0005","9.8469","0.0002","16.1504","0.0004","90","","116.648","0.001","90","","2868.45","0.12","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","BL-07-23","","","- C16 H14 Br N S -","- C16 H14 Br N S -","- C128 H112 Br8 N8 S8 -","8","1","","Lemercier, Bérénice C; Pierce, Joshua G","Synthesis of thiazolines by copper catalyzed aminobromination of thiohydroximic acids.","Organic letters","2014","16","7","2074","2076","10.1021/ol500588v","","","0.71073","MoKα","","0.0347","0.025","","","0.0593","0.0621","","","","","","1.054","","","","has coordinates,has disorder","301776","2025-08-18","14:47:46",""
"1514218","16.8408","0.001","14.2476","0.0008","19.6198","0.0011","90","","90","","90","","4707.6","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C28 H28 O4 -","- C28 H28 O4 -","- C224 H224 O32 -","8","1","","Zhu, Mengyun; Liu, Jinqian; Yu, Jianjun; Chen, Liangshun; Zhang, Chunmei; Wang, Limin","AlCl3-Promoted Formal [2 + 3]-Cycloaddition of 1,1-Cyclopropane Diesters with N-Benzylic Sulfonamides To Construct Highly Stereoselective Indane Derivatives.","Organic letters","2014","16","7","1856","1859","10.1021/ol500136x","","","0.71073","MoKα","","0.0614","0.0428","","","0.1118","0.1248","","","","","","1.021","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514219","10.8042","0.0016","11.3229","0.0018","12.0046","0.0018","62.987","0.002","77.86","0.003","71.848","0.003","1239.1","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H31 N O5 -","- C29 H31 N O5 -","- C58 H62 N2 O10 -","2","1","","Pan, Bin; Lu, Xiaodong; Wang, Chunxiang; Hu, Yancheng; Wu, Fan; Wan, Boshun","Gold(I)-Catalyzed Intra- and Intermolecular Alkenylations of β-Yne-pyrroles: Facile Formation of Fused Cycloheptapyrroles and Functionalized Pyrroles.","Organic letters","2014","16","8","2244","2247","10.1021/ol500744k","","","0.71073","MoKα","","0.0587","0.0459","","","0.1345","0.1498","","","","","","0.996","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514220","12.6698","0.0006","5.9884","0.0004","12.7916","0.0008","90","","112.067","0.002","90","","899.43","0.09","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","APE3","","","- C17 H17 Br N2 O4 S -","- C17 H17 Br N2 O4 S -","- C34 H34 Br2 N4 O8 S2 -","2","1","","Pascual-Escudero, Ana; González-Esguevillas, María; Padilla, Silvia; Adrio, Javier; Carretero, Juan C","Enantioselective Synthesis of α-Heteroarylpyrrolidines by Copper-Catalyzed 1,3-Dipolar Cycloaddition of α-Silylimines.","Organic letters","2014","16","8","2228","2231","10.1021/ol5007373","","","0.71073","","","0.0335","0.0277","","","0.0768","0.1","","","","","","1.184","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514221","6.0087","0.0004","17.4567","0.0009","15.2518","0.0012","90","","91.114","0.002","90","","1599.49","0.18","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","APE2","","","- C17 H14 Br N3 O2 -","- C17 H14 Br N3 O2 -","- C68 H56 Br4 N12 O8 -","4","2","","Pascual-Escudero, Ana; González-Esguevillas, María; Padilla, Silvia; Adrio, Javier; Carretero, Juan C","Enantioselective Synthesis of α-Heteroarylpyrrolidines by Copper-Catalyzed 1,3-Dipolar Cycloaddition of α-Silylimines.","Organic letters","2014","16","8","2228","2231","10.1021/ol5007373","","","0.71073","","","0.1224","0.0541","","","0.1331","0.183","","","","","","1.081","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514222","26.574","0.0004","26.574","0.0004","6.5612","0.0001","90","","90","","120","","4012.62","0.11","140","2","140","2","","","","","","","","3","P 61","P 61","169","","","","- C29 H46 O3 -","- C29 H46 O3 -","- C174 H276 O18 -","6","1","","Gong, Jun; Sun, Peng; Jiang, Nan; Riccio, Raffaele; Lauro, Gianluigi; Bifulco, Giuseppe; Li, Tie-Jun; Gerwick, William H; Zhang, Wen","New Steroids with a Rearranged Skeleton as (h)P300 Inhibitors from the Sponge Theonella swinhoei.","Organic letters","2014","16","8","2224","2227","10.1021/ol5007345","","","1.54178","CuKα","","0.0903","0.0805","","","0.2237","0.2327","","","","","","1.033","","","","has coordinates,has disorder","301776","2025-08-18","14:47:46",""
"1514223","10.1035","0.0004","10.4542","0.0005","15.8794","0.0007","90","","90","","90","","1677.25","0.13","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O2 -","- C20 H24 O2 -","- C80 H96 O8 -","4","1","","Li, Xu-Yang; Yang, Yuan-Feng; Peng, Xing-Rong; Li, Ming-Ming; Li, Liang-Qun; Deng, Xu; Qin, Hong-Bo; Liu, Jie-Qing; Qiu, Ming-Hua","One-step semisynthesis method of spirocurcasone and pyracurcasone from curcusones a and B.","Organic letters","2014","16","8","2196","2199","10.1021/ol500692j","","","1.54178","CuKα","","0.0428","0.0428","","","0.1179","0.1179","","","","","","1.154","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514224","10.067","0.0002","10.4909","0.0003","15.8591","0.0004","90","","90","","90","","1674.91","0.07","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O2 -","- C20 H24 O2 -","- C80 H96 O8 -","4","1","","Li, Xu-Yang; Yang, Yuan-Feng; Peng, Xing-Rong; Li, Ming-Ming; Li, Liang-Qun; Deng, Xu; Qin, Hong-Bo; Liu, Jie-Qing; Qiu, Ming-Hua","One-step semisynthesis method of spirocurcasone and pyracurcasone from curcusones a and B.","Organic letters","2014","16","8","2196","2199","10.1021/ol500692j","","","1.54178","CuKα","","0.031","0.0301","","","0.0845","0.0939","","","","","","1.158","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514240","5.76","","5.76","","9.46","","90","","90","","90","","313.86","","","","","","","","","","","","","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","Manganese Dimanganese(III) Oxide","Hausmannite","- Mn3 O4 -","- Mn3 O4 -","- Mn12 O16 -","4","0.125","","Satomi, K.","Oxygen positional parameters of tetragonal Mn3 O4","Journal of the Physical Society of Japan","1961","16","","258","265","10.1143/JPSJ.16.258","","","","","","","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514254","9.6504","0.0011","10.0633","0.0012","12.6865","0.0012","73.782","0.01","80.037","0.009","62.461","0.012","1047.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 Cl I2 O3 -","- C21 H17 Cl I2 O3 -","- C42 H34 Cl2 I4 O6 -","2","1","","Wang, Jia; Zhu, Hai-Tao; Li, Ying-Xiu; Wang, Li-Jing; Qiu, Yi-Feng; Qiu, Zi-Hang; Zhong, Mei-Jin; Liu, Xue-Yuan; Liang, Yong-Min","Facile Synthesis of Halogenated Spiroketals via a Tandem Iodocyclization.","Organic letters","2014","16","8","2236","2239","10.1021/ol500741a","","","0.7107","MoKα","","0.0591","0.0447","","","0.0905","0.1048","","","","","","0.942","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514255","9.5417","0.0005","10.255","0.0007","12.6145","0.0008","73.414","0.006","84.654","0.005","68.761","0.005","1102.55","0.13","121.16","0.1","121.16","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 I3 O3 -","- C21 H17 I3 O3 -","- C42 H34 I6 O6 -","2","1","","Wang, Jia; Zhu, Hai-Tao; Li, Ying-Xiu; Wang, Li-Jing; Qiu, Yi-Feng; Qiu, Zi-Hang; Zhong, Mei-Jin; Liu, Xue-Yuan; Liang, Yong-Min","Facile Synthesis of Halogenated Spiroketals via a Tandem Iodocyclization.","Organic letters","2014","16","8","2236","2239","10.1021/ol500741a","","","0.71073","MoKα","","0.0511","0.0405","","","0.0897","0.0976","","","","","","1.072","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514256","9.8687","0.0009","12.9702","0.0011","29.514","0.003","90","","90","","90","","3777.8","0.6","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","13214z","","","- C20 H18 Cl N O4 S -","- C20 H18 Cl N O4 S -","- C160 H144 Cl8 N8 O32 S8 -","8","1","","He, Shuzhong; Hsung, Richard P; Presser, William R; Ma, Zhi-Xiong; Haugen, Bryan J","An Approach to Cyclohepta[b]indoles through an Allenamide (4 + 3) Cycloaddition-Grignard Cyclization-Chugaev Elimination Sequence.","Organic letters","2014","16","8","2180","2183","10.1021/ol5006455","","","1.54178","CuKα","","0.0649","0.0451","","","0.0955","0.1063","","","","","","1.035","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514257","12.6816","0.0004","13.5032","0.0005","13.3486","0.0005","90","","96.061","0.002","90","","2273.07","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 F N2 O2 -","- C29 H23 F N2 O2 -","- C116 H92 F4 N8 O8 -","4","1","","Laouiti, Anouar; Couty, François; Marrot, Jérome; Boubaker, Taoufik; Rammah, Mohamed M; Rammah, Mohamed B; Evano, Gwilherm","Exploring the anionic reactivity of ynimines, useful precursors of metalated ketenimines.","Organic letters","2014","16","8","2252","2255","10.1021/ol500749h","","","0.71073","MoKα","","0.072","0.0439","","","0.1084","0.1266","","","","","","1.018","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514258","19.789","0.003","6.2044","0.0012","20.095","0.003","90","","100.538","0.008","90","","2425.6","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N2 O2 Si -","- C26 H28 N2 O2 Si -","- C104 H112 N8 O8 Si4 -","4","1","","Laouiti, Anouar; Couty, François; Marrot, Jérome; Boubaker, Taoufik; Rammah, Mohamed M; Rammah, Mohamed B; Evano, Gwilherm","Exploring the anionic reactivity of ynimines, useful precursors of metalated ketenimines.","Organic letters","2014","16","8","2252","2255","10.1021/ol500749h","","","0.71073","MoKα","","0.1453","0.0713","","","0.1841","0.2327","","","","","","1.061","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514265","8.601","0.0017","22.967","0.005","9.524","0.0019","90","","104.23","0.03","90","","1823.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N2 O3 S -","- C18 H20 N2 O3 S -","- C72 H80 N8 O12 S4 -","4","1","","Jung, Da Jung; Jeon, Hyun Ji; Kim, Ju Hyun; Kim, Youngmee; Lee, Sang-Gi","DMF as a Source of Oxygen and Aminomethine: Stereoselective 1,2-Insertion of Rhodium(II) Azavinyl Carbenes into the C═O Bond of Formamides for the Synthesis of cis-Diamino Enones.","Organic letters","2014","16","8","2208","2211","10.1021/ol500723s","","","0.71073","MoKα","","0.0775","0.0472","","","0.1164","0.1292","","","","","","1.039","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514266","15.6742","0.001","5.4689","0.0004","21.5676","0.0015","90","","90.055","0.006","90","","1848.8","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C46 H56 N2 -","- C46 H56 N2 -","- C92 H112 N4 -","2","0.5","","Levick, Matthew T; Grace, Iain; Dai, Sheng-Yao; Kasch, Nicholas; Muryn, Christopher; Lambert, Colin; Turner, Michael L; Procter, David J","A Sm(II)-Mediated Cascade Approach to Dibenzoindolo[3,2-b]carbazoles: Synthesis and Evaluation.","Organic letters","2014","16","8","2292","2295","10.1021/ol500841b","","","1.54178","CuKα","","0.0927","0.0606","","","0.139","0.1601","","","","","","1.034","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514267","5.9862","0.0005","16.452","0.002","20.776","0.0018","95.482","0.009","94.572","0.007","97.856","0.009","2008.7","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H64 N2 -","- C50 H64 N2 -","- C100 H128 N4 -","2","1","","Levick, Matthew T; Grace, Iain; Dai, Sheng-Yao; Kasch, Nicholas; Muryn, Christopher; Lambert, Colin; Turner, Michael L; Procter, David J","A Sm(II)-Mediated Cascade Approach to Dibenzoindolo[3,2-b]carbazoles: Synthesis and Evaluation.","Organic letters","2014","16","8","2292","2295","10.1021/ol500841b","","","1.5418","CuKα","","0.2047","0.0886","","","0.175","0.2254","","","","","","1.032","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514268","16.0145","0.0004","6.92267","0.0001","22.8872","0.0004","90","","90.15","0.002","90","","2537.34","0.09","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 O -","- C17 H14 O -","- C136 H112 O8 -","8","2","","Barroso, Raquel; Valencia, Rocío A; Cabal, María-Paz; Valdés, Carlos","Pd-Catalyzed Autotandem C-C/C-C Bond-Forming Reactions with Tosylhydrazones: Synthesis of Spirocycles with Extended π-Conjugation.","Organic letters","2014","16","8","2264","2267","10.1021/ol500778u","","","1.54184","CuKα","","0.0534","0.047","","","0.1423","0.1515","","","","","","1.045","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514269","9.7709","0.001","29.277","0.003","10.1465","0.0011","90","","98.78","0.002","90","","2868.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 N2 O2 S -","- C34 H30 N2 O2 S -","- C136 H120 N8 O8 S4 -","4","1","","Liu, Xuliang; Gao, Ang; Ding, Lei; Xu, Juan; Zhao, Baoguo","Aminative umpolung synthesis of aryl vicinal diamines from aromatic aldehydes.","Organic letters","2014","16","8","2118","2121","10.1021/ol500522d","","","0.71073","MoKα","","0.0999","0.0686","","","0.173","0.1904","","","","","","1.034","","","","has coordinates,has disorder","301776","2025-08-18","14:47:46",""
"1514270","12.504","0.002","17.249","0.003","26.231","0.004","90","","95.167","0.004","90","","5634.6","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 N2 O2 S -","- C34 H30 N2 O2 S -","- C272 H240 N16 O16 S8 -","8","2","","Liu, Xuliang; Gao, Ang; Ding, Lei; Xu, Juan; Zhao, Baoguo","Aminative umpolung synthesis of aryl vicinal diamines from aromatic aldehydes.","Organic letters","2014","16","8","2118","2121","10.1021/ol500522d","","","0.71073","MoKα","","0.1331","0.0895","","","0.2293","0.2732","","","","","","1.025","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514271","7.055","0.005","8.528","0.005","11.612","0.005","91.367","0.005","107.144","0.005","93.909","0.005","665.3","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 F N2 O2 -","- C15 H15 F N2 O2 -","- C30 H30 F2 N4 O4 -","2","1","","Ghorai, Manas K; Talukdar, Ranadeep; Tiwari, Deo Prakash","A Route to Highly Functionalized β-Enaminoesters via a Domino Ring-Opening Cyclization/Decarboxylative Tautomerization Sequence of Donor-Acceptor Cyclopropanes with Substituted Malononitriles.","Organic letters","2014","16","8","2204","2207","10.1021/ol5007218","","","0.71069","MoKα","","0.0556","0.0425","","","0.1009","0.1225","","","","","","1.09","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514272","9.2974","0.0007","9.5428","0.0006","15.3051","0.0011","90","","90.768","0.002","90","","1357.8","0.17","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 F N2 O2 -","- C15 H15 F N2 O2 -","- C60 H60 F4 N8 O8 -","4","1","","Ghorai, Manas K; Talukdar, Ranadeep; Tiwari, Deo Prakash","A Route to Highly Functionalized β-Enaminoesters via a Domino Ring-Opening Cyclization/Decarboxylative Tautomerization Sequence of Donor-Acceptor Cyclopropanes with Substituted Malononitriles.","Organic letters","2014","16","8","2204","2207","10.1021/ol5007218","","","0.71073","MoKα","","0.0563","0.0376","","","0.0778","0.0847","","","","","","1.049","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514328","8.1859","0.0003","27.8367","0.0007","12.9701","0.0009","90","","92.636","0.007","90","","2952.3","0.2","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 B Br F2 I N2 S2 -","- C29.997 H24.991 B Br F2 I N2 S2 -","- C119.988 H99.964 B4 Br4 F8 I4 N8 S8 -","4","1","","Heyer, Elodie; Retailleau, Pascal; Ziessel, Raymond","α-Fused Dithienyl BODIPYs Synthesized by Oxidative Ring Closure.","Organic letters","2014","16","9","2330","2333","10.1021/ol500572t","","","1.54187","CuKα","","0.0728","0.0491","","","0.1282","0.1607","","","","","","1.153","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514334","13.5145","0.0004","22.4036","0.0007","22.9937","0.0008","90","","90","","90","","6961.9","0.4","200","1","200","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H34 I N O3 Si -","- C18 H34 I N O3 Si -","- C216 H408 I12 N12 O36 Si12 -","12","3","","Echeverria, Pierre-Georges; Prévost, Sébastien; Cornil, Johan; Férard, Charlène; Reymond, Sébastien; Guérinot, Amandine; Cossy, Janine; Ratovelomanana-Vidal, Virginie; Phansavath, Phannarath","Synthetic Strategy toward the C44-C65 Fragment of Mirabalin.","Organic letters","2014","16","9","2390","2393","10.1021/ol500720j","","","1.54178","CuKα","","0.1523","0.1146","","","0.2809","0.3152","","","","","","1.066","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514335","19.276","0.004","6.8223","0.0014","13.03","0.003","90","","104.354","0.002","90","","1660","0.6","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C18 H19 N3 O -","- C18 H19 N3 O -","- C72 H76 N12 O4 -","4","0.5","","Fang, Tao; Tan, Qitao; Ding, Zhengwei; Liu, Bingxin; Xu, Bin","Pd-Catalyzed Oxidative Annulation of Hydrazides with Isocyanides: Synthesis of 2-Amino-1,3,4-oxadiazoles.","Organic letters","2014","16","9","2342","2345","10.1021/ol5006449","","","0.71073","MoKα","","0.0699","0.0506","","","0.1421","0.1571","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514336","10.604","0.002","23.472","0.005","27.553","0.006","77.89","0.03","83.86","0.03","80.29","0.03","6591","3","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C61.25 H74.5 N6 O16 -","- C61 H75 N6 O16 -","- C244 H300 N24 O64 -","4","2","","Sebaoun, Laure; Kauffmann, Brice; Delclos, Thomas; Maurizot, Victor; Huc, Ivan","Assessing Stabilization through π-π Interactions in Aromatic Oligoamide β-Sheet Foldamers.","Organic letters","2014","16","9","2326","2329","10.1021/ol500512f","","","1.54178","CuKα","","0.3048","0.22","","","0.4951","0.5396","","","","","","1.498","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514337","14.837","0.003","18.674","0.004","25.801","0.005","76.16","0.03","89.61","0.03","72.57","0.03","6606","3","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C121 H141 Cl3 N14 O28 -","- C121 H141 Cl3 N14 O28 -","- C242 H282 Cl6 N28 O56 -","2","1","","Sebaoun, Laure; Kauffmann, Brice; Delclos, Thomas; Maurizot, Victor; Huc, Ivan","Assessing Stabilization through π-π Interactions in Aromatic Oligoamide β-Sheet Foldamers.","Organic letters","2014","16","9","2326","2329","10.1021/ol500512f","","","1.54178","CuKα","","0.336","0.1772","","","0.4005","0.4761","","","","","","1.128","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514338","10.1293","0.0009","10.9916","0.001","16.069","0.0015","90","","90","","90","","1789.1","0.3","147","2","147","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H31 N O3 -","- C16 H31 N O3 -","- C64 H124 N4 O12 -","4","1","","Beveridge, Ramsay E.; Batey, Robert A.","An Organotrifluoroborate-Based Convergent Total Synthesis of the Potent Cancer Cell Growth Inhibitory Depsipeptides Kitastatin and Respirantin.","Organic letters","2014","16","9","2322","2325","10.1021/ol500484f","","","0.71073","MoKα","","0.0421","0.0341","","","0.0784","0.0825","","","","","","1.045","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514343","10.2369","0.0001","10.9853","0.0002","19.9009","0.0003","90","","102.032","0.001","90","","2188.8","0.06","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 O2 -","- C28 H28 O2 -","- C112 H112 O8 -","4","1","","Wu, Yen-Ku; West, F. G.","Formal Homologous Aldol Reactions: Interrupting the Nazarov Cyclization via Carboalkoxylation of Alkynes.","Organic letters","2014","16","9","2534","2537","10.1021/ol500914a","","","1.54178","CuKα","","0.0375","0.0362","","","0.094","0.0952","","","","","","1.044","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514344","6.05","0.003","33.448","0.015","8.747","0.004","90","","95.376","0.014","90","","1762.3","1.4","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 Br O4 -","- C19 H19 Br O4 -","- C76 H76 Br4 O16 -","4","2","","Smith, Siobhan R.; Leckie, Stuart M.; Holmes, Reuben; Douglas, James; Fallan, Charlene; Shapland, Peter; Pryde, David; Slawin, Alexandra M. Z.; Smith, Andrew D.","α-Ketophosphonates as Ester Surrogates: Isothiourea-Catalyzed Asymmetric Diester and Lactone Synthesis.","Organic letters","2014","16","9","2506","2509","10.1021/ol500873s","","","0.71075","MoKα","","","0.1074","","","","0.2924","","","","","","1.043","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514345","9.6196","0.0005","14.4057","0.0012","17.108","0.009","90","","90","","90","","2370.8","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 Br N2 O7 -","- C24 H23 Br N2 O7 -","- C96 H92 Br4 N8 O28 -","4","1","","Zhao, Yong-Long; Wang, Yao; Cao, Jian; Liang, Yong-Min; Xu, Peng-Fei","Organocatalytic Asymmetric Michael-Michael Cascade for the Construction of Highly Functionalized N-Fused Piperidinoindoline Derivatives.","Organic letters","2014","16","9","2438","2441","10.1021/ol5008185","","","0.71","MoKα","","0.0919","0.053","","","0.0798","0.0985","","","","","","1.037","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514346","7.8952","0.0005","12.0717","0.0008","16.5793","0.0007","90","","97.133","0.005","90","","1567.92","0.16","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Br Cl2 N O -","- C16 H14 Br Cl2 N O -","- C64 H56 Br4 Cl8 N4 O4 -","4","1","","Yao, Chuan-Zhi; Xiao, Zu-Feng; Liu, Jie; Ning, Xiao-Shan; Kang, Yan-Biao","Ru-Catalyzed Rearrangement of N-Methyl Isoxazolidines to N-H 1,3-Oxazinanes: A Strategy of Self-Hydride Transferring Cleavage of N-O Bonds.","Organic letters","2014","16","9","2498","2501","10.1021/ol500869p","","","1.54178","CuKα","","0.1075","0.0873","","","0.2472","0.28","","","","","","1.04","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514347","8.7575","0.0007","22.141","0.0017","10.8356","0.0009","90","","91.285","0.002","90","","2100.5","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H19 Cl N2 O3 S -","- C23 H19 Cl N2 O3 S -","- C92 H76 Cl4 N8 O12 S4 -","4","2","","Yin, Qin; You, Shu-Li","Asymmetric Chlorocyclization of Indole-3-yl-benzamides for the Construction of Fused Indolines.","Organic letters","2014","16","9","2426","2429","10.1021/ol5007532","","","0.71073","MoKα","","0.0479","0.0385","","","0.091","0.0964","","","","","","1.012","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514348","12.1923","0.0005","18.8559","0.0008","24.0835","0.001","90","","90","","90","","5536.7","0.4","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C56 H78 N2 O17 -","- C56 H78 N2 O17 -","- C224 H312 N8 O68 -","4","1","","Yu, Guocan; Hua, Bin; Han, Chengyou","Proton Transfer in Host-Guest Complexation between a Difunctional Pillar[5]arene and Alkyldiamines.","Organic letters","2014","16","9","2486","2489","10.1021/ol500857w","","","0.71073","MoKα","","0.0523","0.0397","","","0.0912","0.0981","","","","","","1.021","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514349","20.3564","0.0017","12.7264","0.0008","20.9919","0.0013","90","","108.03","0.008","90","","5171.2","0.7","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H72 N2 O16 -","- C54 H72 N2 O16 -","- C216 H288 N8 O64 -","4","1","","Yu, Guocan; Hua, Bin; Han, Chengyou","Proton Transfer in Host-Guest Complexation between a Difunctional Pillar[5]arene and Alkyldiamines.","Organic letters","2014","16","9","2486","2489","10.1021/ol500857w","","","0.71073","MoKα","","0.2141","0.1334","","","0.3574","0.4278","","","","","","1.288","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514352","9.0114","0.0006","11.6358","0.001","10.5021","0.0009","90","","124.828","0.002","90","","903.94","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 N4 O -","- C9 H8 N4 O -","- C36 H32 N16 O4 -","4","1","","Yin, Hang; Wang, Teng; Jiao, Ning","Copper-Catalyzed Oxoazidation and Alkoxyazidation of Indoles.","Organic letters","2014","16","9","2302","2305","10.1021/ol500793c","","","0.71073","MoKα","","0.039","0.0344","","","0.0837","0.0874","","","","","","1.057","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514353","9.3781","0.0002","12.6568","0.0003","27.0482","0.0006","90","","90","","90","","3210.53","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H54 O4 -","- C34 H54 O4 -","- C136 H216 O16 -","4","1","","Yang, Xing-Wei; Ding, Yuanqing; Zhang, Jing-Jing; Liu, Xia; Yang, Li-Xin; Li, Xiao-Nian; Ferreira, Daneel; Walker, Larry A.; Xu, Gang","New Acylphloroglucinol Derivatives with Diverse Architectures from Hypericum henryi.","Organic letters","2014","16","9","2434","2437","10.1021/ol500808p","","","1.54178","CuKα","","0.0798","0.0794","","","0.2097","0.2106","","","","","","1.186","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514354","9.3216","0.0004","13.2025","0.0006","13.8291","0.0006","90","","107.968","0.001","90","","1618.92","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H54 O5 -","- C36 H54 O5 -","- C72 H108 O10 -","2","1","","Yang, Xing-Wei; Ding, Yuanqing; Zhang, Jing-Jing; Liu, Xia; Yang, Li-Xin; Li, Xiao-Nian; Ferreira, Daneel; Walker, Larry A.; Xu, Gang","New Acylphloroglucinol Derivatives with Diverse Architectures from Hypericum henryi.","Organic letters","2014","16","9","2434","2437","10.1021/ol500808p","","","1.54178","CuKα","","0.0679","0.0678","","","0.1822","0.1827","","","","","","1.079","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514355","24.5965","0.0002","18.9698","0.0002","30.9836","0.0003","90","","93.447","0.001","90","","14430.5","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 N24 O12 -","- C44 H44 N24 O12 -","- C352 H352 N192 O96 -","8","2","","Gilberg, Laura; Khan, Muhammad S. A.; Enderesova, Marketa; Sindelar, Vladimir","Cucurbiturils Substituted on the Methylene Bridge.","Organic letters","2014","16","9","2446","2449","10.1021/ol500828k","","","1.54187","CuKα","","0.0936","0.0795","","","0.2495","0.2724","","","","","","1.048","","","","has coordinates,has disorder","301776","2025-08-18","14:47:46",""
"1514356","22.1827","0.0005","14.2629","0.0003","12.1482","0.0003","90","","106.072","0.0012","90","","3693.34","0.15","291","2","291","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C42 H44 O4 -","- C42 H44 O4 -","- C168 H176 O16 -","4","0.5","","Su, Yijin; Zhang, Yanwei; Akhmedov, Novruz G.; Petersen, Jeffrey L.; Shi, Xiaodong","Ambient Intermolecular [2 + 2] Cycloaddition: An Example of Carbophilicity and Oxophilicity Competition in Au/Ag Catalysis.","Organic letters","2014","16","9","2478","2481","10.1021/ol500854m","","","0.71073","MoKα","","0.0719","0.0532","","","0.1438","0.1587","","","","","","1.074","","","","has coordinates,has disorder","301776","2025-08-18","14:47:46",""
"1514357","9.3001","0.0006","17.6333","0.0013","16.8483","0.0013","90","","96.205","0.001","90","","2746.8","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 O4 -","- C34 H28 O4 -","- C136 H112 O16 -","4","1","","Su, Yijin; Zhang, Yanwei; Akhmedov, Novruz G.; Petersen, Jeffrey L.; Shi, Xiaodong","Ambient Intermolecular [2 + 2] Cycloaddition: An Example of Carbophilicity and Oxophilicity Competition in Au/Ag Catalysis.","Organic letters","2014","16","9","2478","2481","10.1021/ol500854m","","","0.71073","MoKα","","0.1111","0.0503","","","0.1188","0.1469","","","","","","0.997","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514358","10.9837","0.0005","18.0724","0.0007","19.9386","0.0008","68.9726","0.0012","81.9783","0.0013","89.7507","0.0013","3653.7","0.3","291","2","291","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H44 O4 -","- C42 H44 O4 -","- C168 H176 O16 -","4","2","","Su, Yijin; Zhang, Yanwei; Akhmedov, Novruz G.; Petersen, Jeffrey L.; Shi, Xiaodong","Ambient Intermolecular [2 + 2] Cycloaddition: An Example of Carbophilicity and Oxophilicity Competition in Au/Ag Catalysis.","Organic letters","2014","16","9","2478","2481","10.1021/ol500854m","","","0.71073","MoKα","","0.1049","0.0604","","","0.1338","0.1548","","","","","","1.007","","","","has coordinates,has disorder","301776","2025-08-18","14:47:46",""
"1514366","9.076","0.0007","10.7759","0.0008","11.1491","0.0008","80.423","0.004","84.426","0.004","74.609","0.004","1035.04","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H34 O4 Si -","- C21 H34 O4 Si -","- C42 H68 O8 Si2 -","2","1","","Sharma, Indrajeet; Wurst, Jacqueline M.; Tan, Derek S.","Solvent-Dependent Divergent Functions of Sc(OTf)3 in Stereoselective Epoxide-Opening Spiroketalizations.","Organic letters","2014","16","9","2474","2477","10.1021/ol500853q","","","0.71073","MoKα","","0.0595","0.0418","","","0.0972","0.1066","","","","","","1.099","","","","has coordinates,has disorder","301776","2025-08-18","14:47:46",""
"1514910","10.3434","0.0008","10.8351","0.0009","17.8432","0.0014","88.992","0.005","74.957","0.004","66.544","0.004","1763.3","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H31 F N3 O5 P -","- C42 H31 F N3 O5 P -","- C84 H62 F2 N6 O10 P2 -","2","1","","Han, Ying; Sheng, Yin-Jian; Yan, Chao-Guo","Convenient Synthesis of Triphenylphosphanylidene Spiro[cyclopentane-1,3'-indolines] and Spiro[cyclopent[2]ene-1,3'-indolines] via Three-Component Reactions.","Organic letters","2014","16","10","2654","2657","10.1021/ol5008394","","","0.71073","MoKα","","0.1056","0.0534","","","0.1055","0.1227","","","","","","1.011","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514911","11.5092","0.0013","20.748","0.002","18.3368","0.0017","90","","113.281","0.006","90","","4022.2","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 N3 O5 P -","- C39 H34 N3 O5 P -","- C156 H136 N12 O20 P4 -","4","1","","Han, Ying; Sheng, Yin-Jian; Yan, Chao-Guo","Convenient Synthesis of Triphenylphosphanylidene Spiro[cyclopentane-1,3'-indolines] and Spiro[cyclopent[2]ene-1,3'-indolines] via Three-Component Reactions.","Organic letters","2014","16","10","2654","2657","10.1021/ol5008394","","","0.71073","MoKα","","0.0704","0.0549","","","0.1418","0.1499","","","","","","1.051","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1514912","11.8143","0.0014","12.899","0.0015","16.002","0.0019","89.295","0.003","75.627","0.003","66.226","0.003","2151.2","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H38 F N2 O7 P -","- C46 H38 F N2 O7 P -","- C92 H76 F2 N4 O14 P2 -","2","1","","Han, Ying; Sheng, Yin-Jian; Yan, Chao-Guo","Convenient Synthesis of Triphenylphosphanylidene Spiro[cyclopentane-1,3'-indolines] and Spiro[cyclopent[2]ene-1,3'-indolines] via Three-Component Reactions.","Organic letters","2014","16","10","2654","2657","10.1021/ol5008394","","","0.71073","MoKα","","0.1486","0.0716","","","0.1855","0.2104","","","","","","0.986","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515021","9.0685","0.0004","9.5467","0.0004","10.5065","0.0005","90","","107.563","0.0017","90","","867.19","0.07","100","2","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H15 Br F3 N O3 -","- C17 H15 Br F3 N O3 -","- C34 H30 Br2 F6 N2 O6 -","2","1","","Corbett, Michael T.; Xu, Qihai; Johnson, Jeffrey S.","Trisubstituted 2-Trifluoromethyl Pyrrolidines via Catalytic Asymmetric Michael Addition/Reductive Cyclization.","Organic letters","2014","16","9","2362","2365","10.1021/ol500679w","","","1.54178","CuKα","","0.0178","0.0177","","","0.0462","0.0463","","","","","","1.087","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1515388","9.6066","0.001","11.7824","0.0013","15.8331","0.0017","90.523","0.006","95.662","0.006","100.184","0.006","1754.6","0.3","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C39.93 H52.38 O6.19 -","- C36.4636 H46.659 O5.7318 -","- C72.9272 H93.318 O11.4636 -","2","1","","Tran-Van, Anne-Florence; Götz, Silas; Neuburger, Markus; Wegner, Hermann A.","A Strain Induced Change of Mechanism from a [2 + 2 + 2] to a [2 + 1 + 2 + 1] Cycloaddition Reaction.","Organic letters","2014","16","9","2410","2413","10.1021/ol5007604","","","0.71073","MoKα","","0.1153","0.061","","0.1402","0.0689","0.0689","","","","","","1.0016","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515389","8.4549","0.0004","10.6064","0.0004","17.4616","0.0007","72.98","0.002","76.359","0.002","67.627","0.002","1370.82","0.1","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C31 H38 O6 -","- C31 H38 O6 -","- C62 H76 O12 -","2","1","","Tran-Van, Anne-Florence; Götz, Silas; Neuburger, Markus; Wegner, Hermann A.","A Strain Induced Change of Mechanism from a [2 + 2 + 2] to a [2 + 1 + 2 + 1] Cycloaddition Reaction.","Organic letters","2014","16","9","2410","2413","10.1021/ol5007604","","","0.71073","MoKα","","0.0804","0.04","","0.0945","0.043","0.0411","","","","","","1.1157","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515390","9.3751","0.0016","9.8572","0.0017","16.631","0.003","90","","101.792","0.002","90","","1504.5","0.5","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H39 N O6 S -","- C33 H39 N O6 S -","- C66 H78 N2 O12 S2 -","2","1","","Zhou, Zhi; Feng, Xin; Yin, Xiang; Chen, Ying-Chun","Direct Remote Asymmetric Bisvinylogous 1,4-Additions of Cyclic 2,5-Dienones to Nitroalkenes.","Organic letters","2014","16","9","2370","2373","10.1021/ol500700d","","","0.71073","MoKα","","0.0393","0.0361","","","0.0762","0.0785","","","","","","1.001","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515391","6.8189","0.0016","9.465","0.002","33.233","0.008","90","","90","","90","","2144.9","0.9","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O3 S -","- C24 H27 N O3 S -","- C96 H108 N4 O12 S4 -","4","1","","Zhou, Zhi; Feng, Xin; Yin, Xiang; Chen, Ying-Chun","Direct Remote Asymmetric Bisvinylogous 1,4-Additions of Cyclic 2,5-Dienones to Nitroalkenes.","Organic letters","2014","16","9","2370","2373","10.1021/ol500700d","","","0.71073","MoKα","","0.0553","0.0487","","","0.1243","0.1304","","","","","","1.002","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515392","5.7785","0.0003","7.0086","0.0004","36.717","0.002","90","","90","","90","","1487.01","0.14","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 Br N O4 S -","- C15 H12 Br N O4 S -","- C60 H48 Br4 N4 O16 S4 -","4","1","","Zhang, Heng-Xia; Nie, Jing; Cai, Hua; Ma, Jun-An","Cyclic Aldimines as Superior Electrophiles for Cu-Catalyzed Decarboxylative Mannich Reaction of β-Ketoacids with a Broad Scope and High Enantioselectivity.","Organic letters","2014","16","9","2542","2545","10.1021/ol500929d","","","0.71073","MoKα","","0.0262","0.0233","","","0.0552","0.0562","","","","","","1.049","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515393","12.722","0.002","13.0363","0.0007","13.7737","0.0008","75.631","0.005","88.85","0.006","85.215","0.005","2205.2","0.4","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H32 Cl2 N4 O2 S12 -","- C37 H32 Cl2 N4 O2 S12 -","- C74 H64 Cl4 N8 O4 S24 -","2","1","","Cotelle, Yoann; Allain, Magali; Legoupy, Stéphanie; Hudhomme, Piétrick","Fused glycoluril-tetrathiafulvalene molecular clips as receptors for neutral electron acceptor guests.","Organic letters","2014","16","10","2590","2593","10.1021/ol500458e","","x-ray","0.71073","MoKα","","0.1544","0.0624","","","0.1239","0.1555","","","","","","1.033","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515394","8.2764","0.0006","17.108","0.002","20.28","0.002","71.044","0.006","86.04","0.01","86.672","0.008","2707.4","0.5","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C45.34 H36.68 Cl2.68 N8 O2 S12 -","- C45.34 H36.68 Cl2.68 N8 O2 S12 -","- C90.68 H73.36 Cl5.36 N16 O4 S24 -","2","1","","Cotelle, Yoann; Allain, Magali; Legoupy, Stéphanie; Hudhomme, Piétrick","Fused glycoluril-tetrathiafulvalene molecular clips as receptors for neutral electron acceptor guests.","Organic letters","2014","16","10","2590","2593","10.1021/ol500458e","","x-ray","0.71073","MoKα","","0.1302","0.0604","","","0.1308","0.1583","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515755","9.164","0.0016","14.0102","0.0017","9.5202","0.0018","90","","117.23","0.02","90","","1086.8","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H29 B N O2 P -","- C23 H29 B N O2 P -","- C46 H58 B2 N2 O4 P2 -","2","1","","Rast, Slavko; Mohar, Barbara; Stephan, Michel","Efficient Asymmetric Syntheses of 1-Phenyl-phosphindane, Derivatives, and 2- or 3-Oxa Analogues: Mission Accomplished.","Organic letters","2014","16","10","2688","2691","10.1021/ol500970x","","","0.71073","MoKα","","0.0745","0.0583","","","0.1426","0.1584","","","","","","1.063","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515756","11.8787","0.0002","8.9358","0.0002","12.7533","0.0003","90","","108.685","0.002","90","","1282.36","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H14 B O P -","- C13 H14 B O P -","- C52 H56 B4 O4 P4 -","4","2","","Rast, Slavko; Mohar, Barbara; Stephan, Michel","Efficient Asymmetric Syntheses of 1-Phenyl-phosphindane, Derivatives, and 2- or 3-Oxa Analogues: Mission Accomplished.","Organic letters","2014","16","10","2688","2691","10.1021/ol500970x","","","1.54184","CuKα","","0.0491","0.0459","","","0.1324","0.1376","","","","","","1.041","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515757","9.5536","0.0009","9.8415","0.0011","17.0212","0.0017","90","","90","","90","","1600.4","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","","Li, Yi; Xu, Ming-Hua","Rhodium-catalyzed asymmetric tandem cyclization for efficient and rapid access to underexplored heterocyclic tertiary allylic alcohols containing a tetrasubstituted olefin.","Organic letters","2014","16","10","2712","2715","10.1021/ol500993h","","","0.71073","MoKα","","0.0373","0.0324","","","0.0817","0.0851","","","","","","1.041","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515758","9.877","0.0011","12.0636","0.0014","27.244","0.003","90","","90","","90","","3246.2","0.6","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H16 Cl F O2 -","- C18 H16 Cl F O2 -","- C144 H128 Cl8 F8 O16 -","8","1","","Li, Yi; Xu, Ming-Hua","Rhodium-catalyzed asymmetric tandem cyclization for efficient and rapid access to underexplored heterocyclic tertiary allylic alcohols containing a tetrasubstituted olefin.","Organic letters","2014","16","10","2712","2715","10.1021/ol500993h","","","0.71073","MoKα","","0.0438","0.0373","","","0.0881","0.0913","","","","","","1.27","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515759","8.5437","0.0006","22.8556","0.0014","9.3763","0.0007","90","","103.988","0.002","90","","1776.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N2 O3 S -","- C18 H20 N2 O3 S -","- C72 H80 N8 O12 S4 -","4","1","","Miura, Tomoya; Funakoshi, Yuuta; Tanaka, Takamasa; Murakami, Masahiro","Direct Production of Enaminones from Terminal Alkynes via Rhodium-Catalyzed Reaction of Formamides with N-Sulfonyl-1,2,3-triazoles.","Organic letters","2014","16","10","2760","2763","10.1021/ol5010774","","","0.71075","MoKα","","0.0749","0.0603","","","0.1151","0.1238","","","","","","1.06","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515873","10.8837","0.001","9.9484","0.001","24.339","0.002","90","","90","","90","","2635.3","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C120 H144 O32 -","8","1","","Kandur, Wynne V.; Richert, Kathleen J.; Rieder, Curtis J.; Thomas, Andrew M.; Hu, Chunhua; Ziller, Joseph W.; Woerpel, K. A.","Synthesis and Reactivity of 1,2-Dioxolanes from β,γ-Epoxy Ketones.","Organic letters","2014","16","10","2650","2653","10.1021/ol500835f","","","0.71073","MoKα","","0.0643","0.0387","","","0.0812","0.0908","","","","","","1.004","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515874","12.7394","0.001","5.3825","0.0004","17.5551","0.0013","90","","95.114","0.0012","90","","1198.96","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 O5 -","- C12 H16 O5 -","- C48 H64 O20 -","4","1","","Kandur, Wynne V.; Richert, Kathleen J.; Rieder, Curtis J.; Thomas, Andrew M.; Hu, Chunhua; Ziller, Joseph W.; Woerpel, K. A.","Synthesis and Reactivity of 1,2-Dioxolanes from β,γ-Epoxy Ketones.","Organic letters","2014","16","10","2650","2653","10.1021/ol500835f","","","0.71073","MoKα","","0.0465","0.0357","","","0.086","0.0934","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515875","6.107","0.0004","17.9729","0.0011","11.7273","0.0007","90","","93.8337","0.0007","90","","1284.31","0.14","143","2","143","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 O5 -","- C13 H18 O5 -","- C52 H72 O20 -","4","1","","Kandur, Wynne V.; Richert, Kathleen J.; Rieder, Curtis J.; Thomas, Andrew M.; Hu, Chunhua; Ziller, Joseph W.; Woerpel, K. A.","Synthesis and Reactivity of 1,2-Dioxolanes from β,γ-Epoxy Ketones.","Organic letters","2014","16","10","2650","2653","10.1021/ol500835f","","","0.71073","MoKα","","0.0419","0.0365","","","0.0949","0.0996","","","","","","1.021","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515876","13.3403","0.0012","36.423","0.003","8.3934","0.0008","90","","97.753","0.0012","90","","4041","0.6","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H23 N O4 -","- C12 H23 N O4 -","- C144 H276 N12 O48 -","12","3","","Kandur, Wynne V.; Richert, Kathleen J.; Rieder, Curtis J.; Thomas, Andrew M.; Hu, Chunhua; Ziller, Joseph W.; Woerpel, K. A.","Synthesis and Reactivity of 1,2-Dioxolanes from β,γ-Epoxy Ketones.","Organic letters","2014","16","10","2650","2653","10.1021/ol500835f","","","0.71073","MoKα","","0.0898","0.0549","","","0.1171","0.1318","","","","","","1.066","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515877","5.4272","0.0007","8.1299","0.0011","29.841","0.004","90","","90","","90","","1316.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 F3 O5 -","- C12 H13 F3 O5 -","- C48 H52 F12 O20 -","4","1","","Kandur, Wynne V.; Richert, Kathleen J.; Rieder, Curtis J.; Thomas, Andrew M.; Hu, Chunhua; Ziller, Joseph W.; Woerpel, K. A.","Synthesis and Reactivity of 1,2-Dioxolanes from β,γ-Epoxy Ketones.","Organic letters","2014","16","10","2650","2653","10.1021/ol500835f","","","0.71073","MoKα","","0.0344","0.0294","","","0.0628","0.0651","","","","","","1.084","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515878","5.3299","0.0002","7.8346","0.0004","26.1897","0.0012","90","","90","","90","","1093.62","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O5 -","- C11 H14 O5 -","- C44 H56 O20 -","4","1","","Kandur, Wynne V.; Richert, Kathleen J.; Rieder, Curtis J.; Thomas, Andrew M.; Hu, Chunhua; Ziller, Joseph W.; Woerpel, K. A.","Synthesis and Reactivity of 1,2-Dioxolanes from β,γ-Epoxy Ketones.","Organic letters","2014","16","10","2650","2653","10.1021/ol500835f","","","0.71073","MoKα","","0.0285","0.0269","","","0.0719","0.0732","","","","","","1.055","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515879","14.7841","0.0009","8.6141","0.0005","10.4165","0.0006","90","","108.515","0.001","90","","1257.9","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 O6 -","- C12 H18 O6 -","- C48 H72 O24 -","4","1","","Kandur, Wynne V.; Richert, Kathleen J.; Rieder, Curtis J.; Thomas, Andrew M.; Hu, Chunhua; Ziller, Joseph W.; Woerpel, K. A.","Synthesis and Reactivity of 1,2-Dioxolanes from β,γ-Epoxy Ketones.","Organic letters","2014","16","10","2650","2653","10.1021/ol500835f","","","0.71073","MoKα","","0.0456","0.0349","","","0.0815","0.0883","","","","","","1.05","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515880","6.3303","0.0006","10.0505","0.001","10.7006","0.001","112.38","0.001","96.09","0.002","103.804","0.002","596.46","0.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H16 O5 -","- C12 H16 O5 -","- C24 H32 O10 -","2","1","","Kandur, Wynne V.; Richert, Kathleen J.; Rieder, Curtis J.; Thomas, Andrew M.; Hu, Chunhua; Ziller, Joseph W.; Woerpel, K. A.","Synthesis and Reactivity of 1,2-Dioxolanes from β,γ-Epoxy Ketones.","Organic letters","2014","16","10","2650","2653","10.1021/ol500835f","","","0.71073","MoKα","","0.0565","0.0399","","","0.0981","0.1089","","","","","","1.009","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515881","9.6031","0.0001","8.4478","0.0001","10.8364","0.0002","90","","101.527","0.0004","90","","861.37","0.02","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","eri666re","","","- C17 H21 N3 O5 -","- C17 H21 N3 O5 -","- C34 H42 N6 O10 -","2","1","","Arai, Takayoshi; Matsumura, Eri; Masu, Hyuma","Bis(imidazolidine)pyridine-NiCl2 Catalyst for Nitro-Mannich Reaction of Isatin-Derived N-Boc Ketimines: Asymmetric Synthesis of Chiral 3-Substituted 3-Amino-2-oxindoles.","Organic letters","2014","16","10","2768","2771","10.1021/ol501085y","","","1.54178","CuKα","","0.0263","0.0262","","","0.0697","0.0698","","","","","","1.036","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515898","12.0856","0.0011","7.4117","0.0007","23.495","0.002","90","","90.629","0.002","90","","2104.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Br2 O2 -","- C24 H20 Br2 O2 -","- C96 H80 Br8 O8 -","4","1","","Huang, Changfeng; Huang, Yiwei; Akhmedov, Novruz G.; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K.","Functionalized Carbon Nanohoops: Synthesis and Structure of a [9]Cycloparaphenylene Bearing Three 5,8-Dimethoxynaphth-1,4-diyl Units.","Organic letters","2014","16","10","2672","2675","10.1021/ol500904x","","","0.71073","MoKα","","0.055","0.038","","","0.1003","0.1082","","","","","","1.03","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515899","15.9298","0.0011","30.8837","0.0019","23.5589","0.0015","90","","90.976","0.001","90","","11588.6","1.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C51 H47 O4 -","- C48 H40 O4 -","- C576 H480 O48 -","12","3","","Huang, Changfeng; Huang, Yiwei; Akhmedov, Novruz G.; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K.","Functionalized Carbon Nanohoops: Synthesis and Structure of a [9]Cycloparaphenylene Bearing Three 5,8-Dimethoxynaphth-1,4-diyl Units.","Organic letters","2014","16","10","2672","2675","10.1021/ol500904x","","","0.71073","MoKα","","0.1973","0.0583","","","0.1352","0.1689","","","","","","0.749","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1515900","12.845","0.001","6.7365","0.0007","22.24","0.002","90","","101.173","0.002","90","","1888","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Br2 O2 -","- C22 H16 Br2 O2 -","- C88 H64 Br8 O8 -","4","1","","Huang, Changfeng; Huang, Yiwei; Akhmedov, Novruz G.; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K.","Functionalized Carbon Nanohoops: Synthesis and Structure of a [9]Cycloparaphenylene Bearing Three 5,8-Dimethoxynaphth-1,4-diyl Units.","Organic letters","2014","16","10","2672","2675","10.1021/ol500904x","","","0.71073","MoKα","","0.0845","0.0592","","","0.1557","0.1732","","","","","","1.045","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515901","5.8497","0.0016","8.507","0.003","24.476","0.007","90","","90","","90","","1218","0.6","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 O -","- C14 H22 O -","- C56 H88 O4 -","4","1","","Terada, Takuma; Kurahashi, Takuya; Matsubara, Seijiro","Diastereoselective Construction of Trans-Fused Octalone Framework via Ruthenium-Porphyrin-Catalyzed Cycloaddition.","Organic letters","2014","16","10","2594","2597","10.1021/ol500625r","","","0.71075","MoKα","","","0.0856","","","","0.2216","","","","","","1.014","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515902","5.4255","0.0006","9.6517","0.0011","12.7498","0.0015","91.736","0.007","93.937","0.007","94.455","0.007","663.63","0.13","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 Cl O -","- C16 H17 Cl O -","- C32 H34 Cl2 O2 -","2","1","","Terada, Takuma; Kurahashi, Takuya; Matsubara, Seijiro","Diastereoselective Construction of Trans-Fused Octalone Framework via Ruthenium-Porphyrin-Catalyzed Cycloaddition.","Organic letters","2014","16","10","2594","2597","10.1021/ol500625r","","","0.71075","MoKα","","","0.0518","","","","0.1728","","","","","","1.102","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515903","19.218","0.005","5.8015","0.0013","9.748","0.003","90","","101.087","0.007","90","","1066.6","0.5","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 O -","- C12 H18 O -","- C48 H72 O4 -","4","1","","Terada, Takuma; Kurahashi, Takuya; Matsubara, Seijiro","Diastereoselective Construction of Trans-Fused Octalone Framework via Ruthenium-Porphyrin-Catalyzed Cycloaddition.","Organic letters","2014","16","10","2594","2597","10.1021/ol500625r","","","0.71075","MoKα","","","0.059","","","","0.1915","","","","","","0.922","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515942","11.233","0.0019","22.492","0.004","7.1548","0.0012","90","","99.452","0.003","90","","1783.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20.5 H21 Cl N2 O2 -","- C20.5 H21 Cl N2 O2 -","- C82 H84 Cl4 N8 O8 -","4","1","","Min, Chang; Sanchawala, Abbas; Seidel, Daniel","Dual C-H Functionalization of N-Aryl Amines: Synthesis of Polycyclic Amines via an Oxidative Povarov Approach.","Organic letters","2014","16","10","2756","2759","10.1021/ol501073f","","","0.71073","MoKα","","0.0914","0.0795","","","0.2032","0.2129","","","","","","1.002","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515947","15.368","0.0003","55.574","0.0013","6.2795","0.0002","90","","90","","90","","5363.1","0.2","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H37 N O5 Si -","- C28 H37 N O5 Si -","- C224 H296 N8 O40 Si8 -","8","2","","Trost, Barry M.; Ehmke, Veronika","An approach for rapid increase in molecular complexity: atom economic routes to fused polycyclic ring systems.","Organic letters","2014","16","10","2708","2711","10.1021/ol5009872","","","1.54184","CuKα","","0.0829","0.0669","","","0.1644","0.1765","","","","","","1.025","","","","has coordinates,has disorder","301776","2025-08-18","14:47:48",""
"1515976","6.0539","0.0002","11.5542","0.0004","13.5149","0.0005","90","","102.108","0.002","90","","924.31","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H32 O4 -","- C21 H32 O4 -","- C42 H64 O8 -","2","1","","Kumar, Chebolu Naga Sesha Sai Pavan; Chein, Rong-Jie","Synthesis of labdane diterpenes galanal a and B from (+)-sclareolide.","Organic letters","2014","16","11","2990","2992","10.1021/ol501121v","","","0.71073","MoKα","","0.0597","0.0406","","","0.0801","0.0875","","","","","","1.013","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515977","8.9976","0.0005","10.8156","0.0006","16.5526","0.0009","90","","90","","90","","1610.81","0.15","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C72 H92 N4 O20 -","4","1","","Jhuo, Dai-Huei; Hong, Bor-Cherng; Chang, Chun-Wei; Lee, Gene-Hsiang","One-pot organocatalytic enantioselective Michael-Michael-aldol-Henry reaction cascade. A facile entry to the steroid system with six contiguous stereogenic centers.","Organic letters","2014","16","10","2724","2727","10.1021/ol501011t","","","0.71073","MoKα","","0.0493","0.0415","","","0.0976","0.1025","","","","","","1.023","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515978","18.9352","0.0009","29.3697","0.0013","6.2956","0.0003","90","","90","","90","","3501.1","0.3","150","2","150","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H22 Br N O5 -","- C18 H22 Br N O5 -","- C144 H176 Br8 N8 O40 -","8","2","","Jhuo, Dai-Huei; Hong, Bor-Cherng; Chang, Chun-Wei; Lee, Gene-Hsiang","One-pot organocatalytic enantioselective Michael-Michael-aldol-Henry reaction cascade. A facile entry to the steroid system with six contiguous stereogenic centers.","Organic letters","2014","16","10","2724","2727","10.1021/ol501011t","","","0.71073","MoKα","","0.0711","0.0561","","","0.1157","0.1274","","","","","","1.142","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515979","7.3853","0.0002","10.1226","0.0002","17.8638","0.0003","90","","90","","90","","1335.47","0.05","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O4 -","- C14 H19 N O4 -","- C56 H76 N4 O16 -","4","1","","Jhuo, Dai-Huei; Hong, Bor-Cherng; Chang, Chun-Wei; Lee, Gene-Hsiang","One-pot organocatalytic enantioselective Michael-Michael-aldol-Henry reaction cascade. A facile entry to the steroid system with six contiguous stereogenic centers.","Organic letters","2014","16","10","2724","2727","10.1021/ol501011t","","","0.71073","MoKα","","0.0484","0.0395","","","0.0999","0.1045","","","","","","1.076","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515980","25.739","0.005","9.667","0.005","12.857","0.005","90","","90","","90","","3199","2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C36 H44 N4 O4 -","- C36 H44 N4 O4 -","- C144 H176 N16 O16 -","4","1","","Dethe, Dattatraya H.; Erande, Rohan D.; Dherange, Balu D.","Remarkable switch of regioselectivity in diels-alder reaction: divergent total synthesis of borreverine, caulindoles, and flinderoles.","Organic letters","2014","16","10","2764","2767","10.1021/ol501078d","","","0.71069","MoKα","","0.0587","0.0475","","","0.1081","0.1187","","","","","","1.052","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515981","12.114","0.005","12.234","0.005","14.573","0.005","107.079","0.005","98.454","0.005","105.459","0.005","1929.4","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H42 N2 O8 S2 -","- C44 H42 N2 O8 S2 -","- C88 H84 N4 O16 S4 -","2","1","","Dethe, Dattatraya H.; Erande, Rohan D.; Dherange, Balu D.","Remarkable switch of regioselectivity in diels-alder reaction: divergent total synthesis of borreverine, caulindoles, and flinderoles.","Organic letters","2014","16","10","2764","2767","10.1021/ol501078d","","","0.71069","MoKα","","0.0973","0.0613","","","0.142","0.1728","","","","","","0.976","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1515982","13.658","0.005","11.024","0.005","26.112","0.005","90","","100.241","0.005","90","","3869","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H45 N3 O6 S2 -","- C44 H45 N3 O6 S2 -","- C176 H180 N12 O24 S8 -","4","1","","Dethe, Dattatraya H.; Erande, Rohan D.; Dherange, Balu D.","Remarkable switch of regioselectivity in diels-alder reaction: divergent total synthesis of borreverine, caulindoles, and flinderoles.","Organic letters","2014","16","10","2764","2767","10.1021/ol501078d","","","0.71069","MoKα","","0.0672","0.0417","","","0.0876","0.0972","","","","","","1.012","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1515983","12.802","0.005","19.593","0.005","25.555","0.005","90","0.005","90","0.005","90","0.005","6410","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H44 N4 O4 -","- C36 H44 N4 O4 -","- C288 H352 N32 O32 -","8","1","","Dethe, Dattatraya H.; Erande, Rohan D.; Dherange, Balu D.","Remarkable switch of regioselectivity in diels-alder reaction: divergent total synthesis of borreverine, caulindoles, and flinderoles.","Organic letters","2014","16","10","2764","2767","10.1021/ol501078d","","","0.71069","MoKα","","0.1482","0.0999","","","0.2462","0.2831","","","","","","1.093","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1515984","29.124","0.005","8.811","0.005","29.171","0.005","90","","90","","90","","7486","5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H46 N2 O8 S2 -","- C40 H38 N2 O4 S2 -","- C320 H304 N16 O32 S16 -","8","1","","Dethe, Dattatraya H.; Erande, Rohan D.; Dherange, Balu D.","Remarkable switch of regioselectivity in diels-alder reaction: divergent total synthesis of borreverine, caulindoles, and flinderoles.","Organic letters","2014","16","10","2764","2767","10.1021/ol501078d","","","0.71069","MoKα","","0.1095","0.0705","","","0.1802","0.2061","","","","","","0.85","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515985","13.109","0.005","14.562","0.005","19.787","0.005","90","","98.818","0.005","90","","3733","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H40 N2 O8 S2 -","- C43 H40 N2 O8 S2 -","- C172 H160 N8 O32 S8 -","4","1","","Dethe, Dattatraya H.; Erande, Rohan D.; Dherange, Balu D.","Remarkable switch of regioselectivity in diels-alder reaction: divergent total synthesis of borreverine, caulindoles, and flinderoles.","Organic letters","2014","16","10","2764","2767","10.1021/ol501078d","","","0.71069","MoKα","","0.0547","0.0374","","","0.0841","0.0918","","","","","","1.019","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1515986","9.393","0.005","29.532","0.005","15.825","0.005","90","","99.223","0.005","90","","4333","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H52 N4 O8 S2 -","- C48 H52 N4 O8 S2 -","- C192 H208 N16 O32 S8 -","4","1","","Dethe, Dattatraya H.; Erande, Rohan D.; Dherange, Balu D.","Remarkable switch of regioselectivity in diels-alder reaction: divergent total synthesis of borreverine, caulindoles, and flinderoles.","Organic letters","2014","16","10","2764","2767","10.1021/ol501078d","","","0.71069","MoKα","","0.0752","0.0499","","","0.1106","0.129","","","","","","1.039","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1515987","10.515","0.005","13.39","0.005","15.724","0.005","84.427","0.005","72.768","0.005","67.283","0.005","1950.1","1.3","293","2","566","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H49 N2 O7 S2 -","- C44 H48 N2 O7 S2 -","- C88 H96 N4 O14 S4 -","2","1","","Dethe, Dattatraya H.; Erande, Rohan D.; Dherange, Balu D.","Remarkable switch of regioselectivity in diels-alder reaction: divergent total synthesis of borreverine, caulindoles, and flinderoles.","Organic letters","2014","16","10","2764","2767","10.1021/ol501078d","","","0.71069","MoKα","","0.1038","0.0756","","","0.191","0.241","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515988","10.915","0.004","10.002","0.003","27.209","0.009","90","","90","","90","","2970.5","1.7","188","1","188","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H36 N4 O4 -","- C36 H36 N4 O4 -","- C144 H144 N16 O16 -","4","0.5","","Culf, Adrian S.; Cuperlović-Culf, Miroslava; Léger, Daniel A; Decken, Andreas","Small Head-to-Tail Macrocyclic α-Peptoids.","Organic letters","2014","16","10","2780","2783","10.1021/ol501102b","","x-ray","0.71073","MoKα","","0.1129","0.0607","","","0.1353","0.1642","","","","","","1.068","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1515989","17.232","0.012","5.508","0.004","17.915","0.012","90","","114.836","0.01","90","","1543.1","1.9","188","1","188","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 N4 O4 -","- C36 H36 N4 O4 -","- C72 H72 N8 O8 -","2","0.5","","Culf, Adrian S.; Cuperlović-Culf, Miroslava; Léger, Daniel A; Decken, Andreas","Small Head-to-Tail Macrocyclic α-Peptoids.","Organic letters","2014","16","10","2780","2783","10.1021/ol501102b","","x-ray","0.71073","MoKα","","0.1007","0.0562","","","0.1322","0.1542","","","","","","1.122","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1515990","17.384","0.005","9.096","0.002","28.177","0.007","90","","90","","90","","4455","2","188","1","188","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C27 H27 N3 O3 -","- C27 H27 N3 O3 -","- C216 H216 N24 O24 -","8","2","","Culf, Adrian S.; Cuperlović-Culf, Miroslava; Léger, Daniel A; Decken, Andreas","Small Head-to-Tail Macrocyclic α-Peptoids.","Organic letters","2014","16","10","2780","2783","10.1021/ol501102b","","x-ray","0.71073","MoKα","","0.0893","0.0411","","","0.0725","0.0877","","","","","","1.115","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1515991","24.448","0.016","13.284","0.006","27.047","0.012","90","","102.463","0.011","90","","8577","8","188","1","188","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45.5 H45.5 Cl1.5 N5 O5 -","- C45 H45 N5 O5 -","- C360 H360 N40 O40 -","8","1","","Culf, Adrian S.; Cuperlović-Culf, Miroslava; Léger, Daniel A; Decken, Andreas","Small Head-to-Tail Macrocyclic α-Peptoids.","Organic letters","2014","16","10","2780","2783","10.1021/ol501102b","","x-ray","0.71073","MoKα","","0.2204","0.118","","","0.3592","0.3831","","","","","","1.093","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515992","19.5118","0.0004","19.5118","0.0004","12.0531","0.0003","90","","90","","120","","3973.97","0.15","293","2","293","2","","","","","","","","4","P 64","P 64","172","","","","- C46 H52 N4 O18 -","- C46 H52 N4 O18 -","- C138 H156 N12 O54 -","3","0.5","","Zhang, Juanli; Qian, Zhengyi; Wu, Xingkang; Ding, Yanjiao; Li, Jianfang; Lu, Chunhua; Shen, Yuemao","Juanlimycins A and B, Ansamycin Macrodilactams from Streptomyces sp.","Organic letters","2014","16","10","2752","2755","10.1021/ol501072t","","","1.54178","CuKα","","0.1275","0.0771","","","0.1638","0.1859","","","","","","1.057","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1515994","10.7362","0.0005","14.1883","0.0007","12.3716","0.0006","90","","108.855","0.002","90","","1783.42","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O3 S2 -","- C17 H16 N2 O3 S2 -","- C68 H64 N8 O12 S8 -","4","1","","Li, Yiming; Pu, Jiahua; Jiang, Xuefeng","A highly efficient cu-catalyzed s-transfer reaction: from amine to sulfide.","Organic letters","2014","16","10","2692","2695","10.1021/ol5009747","","","0.71073","MoKα","","0.0593","0.0418","","","0.0983","0.1102","","","","","","1.039","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516025","12.421","0.0006","14.0537","0.0005","17.9628","0.0006","66.48","0.02","79.82","0.03","80.77","0.02","2815.8","0.5","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H54 B2 Cl3 F4 N6 -","- C63 H54 B2 Cl3 F4 N6 -","- C126 H108 B4 Cl6 F8 N12 -","2","1","","Yokoi, Hiroki; Hiroto, Satoru; Shinokubo, Hiroshi","Synthesis of Diazo-Bridged BODIPY Dimer and Tetramer by Oxidative Coupling of β-Amino-Substituted BODIPYs.","Organic letters","2014","16","11","3004","3007","10.1021/ol501131j","","","0.71075","MoKα","","0.1162","0.0812","","","0.2219","0.2603","","","","","","1.079","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516043","10.9871","0.0005","15.0321","0.0006","19.4495","0.0009","67.41","0.004","87.04","0.004","85.923","0.004","2957.3","0.2","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H64.5 F12 N5.5 O10 P2 -","- C50 H60 F12 N4 O10 P2 -","- C100 H120 F24 N8 O20 P4 -","2","1","","Xing, Hao; Wei, Peifa; Yan, Xuzhou","Supramolecular Side-Chain Poly[2]pseudorotaxanes Formed by Orthogonal Coordination-Driven Self-Assembly and Crown-Ether-Based Host-Guest Interactions.","Organic letters","2014","16","11","2850","2853","10.1021/ol500983k","","","0.71073","MoKα","","0.1081","0.0839","","","0.2402","0.2627","","","","","","1.114","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516044","14.274","0.002","16.988","0.002","21.032","0.0017","67.91","0.011","80.65","0.02","86.6","0.02","4662.8","1","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C117 H122 N4 O2 Zn -","- C117 H122 N4 O2 Zn -","- C234 H244 N8 O4 Zn2 -","2","1","","Ota, Kensuke; Tanaka, Takayuki; Osuka, Atsuhiro","meso-β Dibenzo[a,g]corannulene-Fused Porphyrins.","Organic letters","2014","16","11","2974","2977","10.1021/ol501115m","","","1.54187","CuKα","","0.068","0.0625","","","0.18","0.1908","","","","","","1.07","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516045","9.353","0.004","21.838","0.013","38.554","0.018","103.231","0.016","90.09","0.02","102.288","0.005","7480","7","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C96.89 H88.31 N4 O1.72 Zn -","- C96.888 H88.308 N4 O1.722 Zn -","- C387.552 H353.232 N16 O6.888 Zn4 -","4","2","","Ota, Kensuke; Tanaka, Takayuki; Osuka, Atsuhiro","meso-β Dibenzo[a,g]corannulene-Fused Porphyrins.","Organic letters","2014","16","11","2974","2977","10.1021/ol501115m","","","1.54187","CuKα","","0.1097","0.0917","","","0.2541","0.2771","","","","","","1.065","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516046","9.7687","0.0011","15.6035","0.0015","26.497","0.002","75.421","0.009","83.382","0.012","87.1181","0.001","3881.8","0.7","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H98 N4 O2 Zn -","- C96 H98 N4 O2 Zn -","- C192 H196 N8 O4 Zn2 -","2","1","","Ota, Kensuke; Tanaka, Takayuki; Osuka, Atsuhiro","meso-β Dibenzo[a,g]corannulene-Fused Porphyrins.","Organic letters","2014","16","11","2974","2977","10.1021/ol501115m","","","1.54187","CuKα","","0.0597","0.0561","","","0.1464","0.15","","","","","","1.002","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516047","9.661","0.003","9.9907","0.0014","10.7602","0.0015","63.28","0.02","80.45","0.02","70.81","0.02","875.9","0.4","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","3–Benzoyl–2,4–diphenyl–4,5–dihydrofuran","","- C23 H18 O2 -","- C23 H18 O2 -","- C46 H36 O4 -","2","1","","Chagarovsky, Alexey O.; Budynina, Ekaterina M.; Ivanova, Olga A.; Villemson, Elena V.; Rybakov, Victor B.; Trushkov, Igor V.; Melnikov, Mikhail Ya","Reaction of Corey Ylide with α,β-Unsaturated Ketones: Tuning of Chemoselectivity toward Dihydrofuran Synthesis.","Organic letters","2014","16","11","2830","2833","10.1021/ol500877c","","x-ray","1.54184","CuKα","","0.0505","0.0476","","","0.1275","0.1304","","","","","","1.017","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516048","10.0605","0.0005","10.1253","0.0007","19.2983","0.0011","90","","91.597","0.004","90","","1965.1","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-(1-benzyl-1H-indol-3-yl)-2-methyl-4,5-dihydrofuran-3-carboxylate","","- C23 H23 N O3 -","- C23 H23 N O3 -","- C92 H92 N4 O12 -","4","1","","Chagarovsky, Alexey O.; Budynina, Ekaterina M.; Ivanova, Olga A.; Villemson, Elena V.; Rybakov, Victor B.; Trushkov, Igor V.; Melnikov, Mikhail Ya","Reaction of Corey Ylide with α,β-Unsaturated Ketones: Tuning of Chemoselectivity toward Dihydrofuran Synthesis.","Organic letters","2014","16","11","2830","2833","10.1021/ol500877c","","","0.71073","MoKα","","0.1413","0.0727","","","0.1793","0.2695","","","","","","0.897","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516049","9.073","0.004","11.096","0.004","19.557","0.007","90","","94.205","0.006","90","","1963.6","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 F N2 O -","- C21 H22 F N2 O -","- C84 H88 F4 N8 O4 -","4","1","","Thirupathi, Nuligonda; Hari Babu, Madala; Dwivedi, Vikas; Kant, Ruchir; Sridhar Reddy, Maddi","Palladium-Catalyzed Tandem Intramolecular Oxy/Amino-Palladation/Isocyanide Insertion: Synthesis of α-Benzofuranyl/Indolylacetamides.","Organic letters","2014","16","11","2908","2911","10.1021/ol501048x","","","0.71075","MoKα","","0.0672","0.0551","","","","0.1474","","","","","","1.086","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516050","10.5434","0.0006","11.509","0.0006","19.6411","0.001","90","","90","","90","","2383.3","0.2","147","2","147","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 N2 O2 -","- C26 H36 N2 O2 -","- C104 H144 N8 O8 -","4","1","","Seo, Min-Seob; Lee, Ansoo; Kim, Hyunwoo","2,2'-dihydroxybenzil: a stereodynamic probe for primary amines controlled by steric strain.","Organic letters","2014","16","11","2950","2953","10.1021/ol501088v","","","1.54178","CuKα","","0.0239","0.0238","","","0.0624","0.0625","","","","","","1.091","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516106","14.0539","0.001","11.358","0.0008","13.4342","0.001","90","","101.523","0.007","90","","2101.2","0.3","294.1","0.4","294.1","0.4","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H15 N O -","- C13 H15 N O -","- C104 H120 N8 O8 -","8","1","","Li, Xiao-Jing; Qiao, Jin-Bao; Sun, Jian; Li, Xue-Qiang; Gu, Peiming","Intramolecular Schmidt Reaction of Acyl Chlorides with Alkyl Azides: Capture of N-Acyliminium Ion Intermediates with Aromatic rings.","Organic letters","2014","16","11","2865","2867","10.1021/ol501058a","","","0.71073","MoKα","","0.0589","0.0483","","","0.118","0.127","","","","","","1.04","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516113","11.272","0.002","5.8049","0.001","16.158","0.003","90","","108.477","0.003","90","","1002.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 F N O2 -","- C11 H12 F N O2 -","- C44 H48 F4 N4 O8 -","4","1","","Lu, Deng-Fu; Liu, Guan-Sai; Zhu, Cheng-Liang; Yuan, Bo; Xu, Hao","Iron(II)-Catalyzed Intramolecular Olefin Aminofluorination.","Organic letters","2014","16","11","2912","2915","10.1021/ol501051p","","","0.71073","MoKα","","0.0655","0.0496","","","0.1268","0.1401","","","","","","1.031","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516114","10.128","0.005","10.497","0.005","20.664","0.005","85.27","0.005","77.477","0.005","78.869","0.005","2102.4","1.5","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H23 N O8 -","- C72 H23 N O8 -","- C144 H46 N2 O16 -","2","1","","Hashikawa, Yoshifumi; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro","Synthesis of open-cage ketolactam derivatives of fullerene c60 encapsulating a hydrogen molecule.","Organic letters","2014","16","11","2970","2973","10.1021/ol501113y","","","0.70926","MoKα","","0.1883","0.1784","","","0.421","0.4281","","","","","","1.111","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516121","5.502","0.004","21.052","0.015","21.138","0.015","88.513","0.011","82.982","0.012","85.62","0.012","2423","3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C120 H88 N8 O24 -","8","4","","Wu, Xia; Gao, Qinghe; Liu, Shan; Wu, Anxin","I2-Catalyzed Oxidative Cross-Coupling of Methyl Ketones and Benzamidines Hydrochloride: A Facile Access to α-Ketoimides.","Organic letters","2014","16","11","2888","2891","10.1021/ol501029w","","","0.71073","MoKα","","0.1953","0.1586","","","0.4124","0.4504","","","","","","1.623","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516122","12.469","0.004","14.085","0.004","14.436","0.004","114.938","0.004","101.497","0.005","98.755","0.005","2171.7","1.1","273","2","273","2","","","","","","","","3","P -1","-P 1","2","compound 4b","","","- C58 H36 O4 -","- C58 H36 O4 -","- C116 H72 O8 -","2","1","","Wackerly, Jay Wm; Zhang, Mengfei; Nodder, Stephen T.; Carlin, Stephen M.; Katz, Jeffrey L.","Single Step Synthesis of Acetylene-Substituted Oxacalix[4]arenes.","Organic letters","2014","16","11","2920","2922","10.1021/ol5010627","","","0.71073","MoKα","","0.11","0.0528","","","0.136","0.179","","","","","","0.769","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516129","17.511","0.003","10.814","0.002","23.711","0.008","90","","130.536","0.018","90","","3412.4","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H34 N2 O6 S2 -","- C37 H34 N2 O6 S2 -","- C148 H136 N8 O24 S8 -","4","1","","Nayak, Sanatan; Ghosh, Nayan; Sahoo, Akhila K.","Access to Cyclobutene-Fused Azepines through Au-Catalyzed Cycloisomerization of Stable Alkyne Tethered Ketene N,N-Acetals.","Organic letters","2014","16","11","2996","2999","10.1021/ol501125r","","","0.71073","MoKα","","0.0882","0.0552","","","0.1301","0.1469","","","","","","1.023","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516130","15.0516","0.0015","28.646","0.003","18.0316","0.0018","90","","90","","90","","7774.7","1.4","298","2","298","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C39 H32 N4 O6 S2 -","- C39 H32 N4 O6 S2 -","- C312 H256 N32 O48 S16 -","8","","","Nayak, Sanatan; Ghosh, Nayan; Sahoo, Akhila K.","Access to Cyclobutene-Fused Azepines through Au-Catalyzed Cycloisomerization of Stable Alkyne Tethered Ketene N,N-Acetals.","Organic letters","2014","16","11","2996","2999","10.1021/ol501125r","","","0.71073","MoKα","","0.1591","0.0803","","","0.1998","0.2453","","","","","","0.967","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516131","8.7849","0.0011","12.6893","0.0016","16.278","0.002","85.618","0.01","79.626","0.011","82.116","0.011","1765.6","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H38 N2 O8 S2 -","- C39 H38 N2 O8 S2 -","- C78 H76 N4 O16 S4 -","2","1","","Nayak, Sanatan; Ghosh, Nayan; Sahoo, Akhila K.","Access to Cyclobutene-Fused Azepines through Au-Catalyzed Cycloisomerization of Stable Alkyne Tethered Ketene N,N-Acetals.","Organic letters","2014","16","11","2996","2999","10.1021/ol501125r","","","0.71073","MoKα","","0.2709","0.0736","","","0.0822","0.1458","","","","","","0.841","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516132","11.406","0.002","14.522","0.003","20.97","0.004","90","","104.457","0.003","90","","3363.4","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 Br N2 O0.5 S -","- C19 H14 Br N2 O0.5 S -","- C152 H112 Br8 N16 O4 S8 -","8","1","","Ravi, Chitrakar; Chandra Mohan, Darapaneni; Adimurthy, Subbarayappa","N-chlorosuccinimide-promoted regioselective sulfenylation of imidazoheterocycles at room temperature.","Organic letters","2014","16","11","2978","2981","10.1021/ol501117z","","","0.71073","MoKα","","0.0481","0.0369","","","0.0952","0.1016","","","","","","1.057","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516133","7.4442","0.0003","27.2175","0.001","19.194","0.0007","90","","90","","90","","3888.9","0.3","193","2","193","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H4 Br4 Cl4 -","- C20 H4 Br4 Cl4 -","- C160 H32 Br32 Cl32 -","8","2","","Zagranyarski, Yulian; Chen, Long; Jänsch, Daniel; Gessner, Thomas; Li, Chen; Müllen, Klaus","Toward perylene dyes by the hundsdiecker reaction.","Organic letters","2014","16","11","2814","2817","10.1021/ol5008586","","","0.71073","MoKα","","0.0859","0.0545","","","0.1238","0.1437","","","","","","0.959","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516134","9.154","0.003","16.606","0.005","13.184","0.004","90","","91.919","0.004","90","","2003","1.1","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H27 N O2 S Si -","- C19 H27 N O2 S Si -","- C76 H108 N4 O8 S4 Si4 -","4","2","","Mita, Tsuyoshi; Sugawara, Masumi; Saito, Keisuke; Sato, Yoshihiro","Catalytic Enantioselective Silylation of N-Sulfonylimines: Asymmetric Synthesis of α-Amino Acids from CO2 via Stereospecific Carboxylation of α-Amino Silanes.","Organic letters","2014","16","11","3028","3031","10.1021/ol501143c","","","0.71075","MoKα","","","0.026","","","","0.0661","","","","","","1.071","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516135","11.1188","0.0003","10.5531","0.0003","15.6491","0.0005","90","","110.738","0.008","90","","1717.26","0.13","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H25 N O2 S Sn -","- C14 H25 N O2 S Sn -","- C56 H100 N4 O8 S4 Sn4 -","4","2","","Mita, Tsuyoshi; Sugawara, Masumi; Saito, Keisuke; Sato, Yoshihiro","Catalytic Enantioselective Silylation of N-Sulfonylimines: Asymmetric Synthesis of α-Amino Acids from CO2 via Stereospecific Carboxylation of α-Amino Silanes.","Organic letters","2014","16","11","3028","3031","10.1021/ol501143c","","","0.71075","MoKα","","","0.017","","","","0.0434","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516147","17.8119","0.0015","17.8119","0.0015","6.2589","0.0005","90","","90","","120","","1719.7","0.2","99.99","","100","0.2","","","","","","","","4","P 32","P 32","145","","((1S,2R,4S)-2-bromo-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanol","","- C7 H9 Br O2 -","- C7 H9 Br O2 -","- C63 H81 Br9 O18 -","9","3","","Zipfel, Hannes F.; Carreira, Erick M.","An efficient synthesis strategy to the core structure of 6-5-6-5-6-membered epipolythiodiketopiperazines.","Organic letters","2014","16","11","2854","2857","10.1021/ol500990f","","x-ray","0.71073","MoKα","K-L~3~","0.0255","0.0235","","","0.0456","0.0467","","","","","","1.033","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516148","11.639","0.0007","5.5765","0.0003","15.5447","0.001","90","","106.278","0.003","90","","968.48","0.1","100","","100","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R,3S)-ethyl 3-(1H-indol-3-yl)-2-(4-methylphenylsulfonamido)butanoate","","- C21 H24 N2 O4 S -","- C21 H24 N2 O4 S -","- C42 H48 N4 O8 S2 -","2","1","","Zipfel, Hannes F.; Carreira, Erick M.","An efficient synthesis strategy to the core structure of 6-5-6-5-6-membered epipolythiodiketopiperazines.","Organic letters","2014","16","11","2854","2857","10.1021/ol500990f","","x-ray","0.71073","MoKα","","0.0465","0.0341","","","0.0678","0.072","","","","","","1.028","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516149","43.265","0.002","15.0547","0.0007","10.2366","0.0004","90","","93.976","0.003","90","","6651.5","0.5","100","2","100","0.2","","","","","","","","5","C 1 2 1","C 2y","5","","(2R,4aS,7aR,9R,11aS,14aR)-7a,14a-bis(benzyloxy)-2,9-dihydroxy-1,7a,8,9,11a,14a-hexahydropyrazino[1,2-a:4,5-a']diindole-6,13(2H,4aH)-dione","","- C32.5 H31 Cl N2 O6 -","- C32.5 H31 Cl N2 O6 -","- C260 H248 Cl8 N16 O48 -","8","2","","Zipfel, Hannes F.; Carreira, Erick M.","An efficient synthesis strategy to the core structure of 6-5-6-5-6-membered epipolythiodiketopiperazines.","Organic letters","2014","16","11","2854","2857","10.1021/ol500990f","","x-ray","1.54178","CuKα","K-L~3~","0.0869","0.0773","","","0.2051","0.2159","","","","","","1.023","","","","has coordinates,has disorder","301776","2025-08-18","14:47:49",""
"1516152","7.952","0.002","12.184","0.004","14.721","0.004","90","","92.596","0.004","90","","1424.8","0.7","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H13 Br O3 -","- C16 H13 Br O3 -","- C64 H52 Br4 O12 -","4","2","","Fu, Liangbing; Wang, Hengbin; Davies, Huw M. L.","Role of Ortho-Substituents on Rhodium-Catalyzed Asymmetric Synthesis of β-Lactones by Intramolecular C-H Insertions of Aryldiazoacetates.","Organic letters","2014","16","11","3036","3039","10.1021/ol5011505","","","0.71073","MoKα","","0.0672","0.0471","","","0.1002","0.1092","","","","","","1","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516153","12.06","0.002","12.066","0.002","14.641","0.003","90","","90","","90","","2130.5","0.7","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Br O3 -","- C11 H11 Br O3 -","- C88 H88 Br8 O24 -","8","2","","Fu, Liangbing; Wang, Hengbin; Davies, Huw M. L.","Role of Ortho-Substituents on Rhodium-Catalyzed Asymmetric Synthesis of β-Lactones by Intramolecular C-H Insertions of Aryldiazoacetates.","Organic letters","2014","16","11","3036","3039","10.1021/ol5011505","","","0.71073","MoKα","","0.0528","0.0424","","","0.0832","0.0875","","","","","","1.016","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516154","6.2085","0.0015","5.3383","0.0012","15.239","0.004","90","","95.715","0.004","90","","502.6","0.2","173","2","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H9 Br O3 -","- C10 H9 Br O3 -","- C20 H18 Br2 O6 -","2","1","","Fu, Liangbing; Wang, Hengbin; Davies, Huw M. L.","Role of Ortho-Substituents on Rhodium-Catalyzed Asymmetric Synthesis of β-Lactones by Intramolecular C-H Insertions of Aryldiazoacetates.","Organic letters","2014","16","11","3036","3039","10.1021/ol5011505","","","0.71073","MoKα","","0.0378","0.0341","","","0.0793","0.0813","","","","","","1.038","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516169","12.2662","0.0017","6.8136","0.0009","7.0499","0.001","90","","105.816","0.001","90","","566.9","0.14","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C10 H8 B2 F4 N4 -","- C10 H8 B2 F4 N4 -","- C20 H16 B4 F8 N8 -","2","0.25","","Yu, Changjiang; Jiao, Lijuan; Zhang, Ping; Feng, Zeya; Cheng, Chi; Wei, Yun; Mu, Xiaolong; Hao, Erhong","Highly Fluorescent BF2 Complexes of Hydrazine-Schiff Base Linked Bispyrrole.","Organic letters","2014","16","11","3048","3051","10.1021/ol501162f","","","0.71073","MoKα","","0.0441","0.0402","","","0.1019","0.1056","","","","","","1.066","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516170","9.2147","0.0009","12.1024","0.0012","7.3238","0.0008","90","","108.772","0.001","90","","773.3","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 B2 F4 N4 -","- C14 H16 B2 F4 N4 -","- C28 H32 B4 F8 N8 -","2","0.5","","Yu, Changjiang; Jiao, Lijuan; Zhang, Ping; Feng, Zeya; Cheng, Chi; Wei, Yun; Mu, Xiaolong; Hao, Erhong","Highly Fluorescent BF2 Complexes of Hydrazine-Schiff Base Linked Bispyrrole.","Organic letters","2014","16","11","3048","3051","10.1021/ol501162f","","","0.71073","MoKα","","0.057","0.0511","","","0.143","0.1497","","","","","","1.045","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516171","9.676","0.0018","13.659","0.003","15.313","0.003","90","","103.66","0.002","90","","1966.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 B2 F4 N4 -","- C18 H24 B2 F4 N4 -","- C72 H96 B8 F16 N16 -","4","1","","Yu, Changjiang; Jiao, Lijuan; Zhang, Ping; Feng, Zeya; Cheng, Chi; Wei, Yun; Mu, Xiaolong; Hao, Erhong","Highly Fluorescent BF2 Complexes of Hydrazine-Schiff Base Linked Bispyrrole.","Organic letters","2014","16","11","3048","3051","10.1021/ol501162f","","","0.71073","MoKα","","0.1254","0.0663","","","0.1495","0.1998","","","","","","1.099","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516172","12.306","0.003","9.48","0.002","18.766","0.004","90","","90","","90","","2189.3","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H9 B F2 N4 -","- C10 H9 B F2 N4 -","- C80 H72 B8 F16 N32 -","8","1","","Yu, Changjiang; Jiao, Lijuan; Zhang, Ping; Feng, Zeya; Cheng, Chi; Wei, Yun; Mu, Xiaolong; Hao, Erhong","Highly Fluorescent BF2 Complexes of Hydrazine-Schiff Base Linked Bispyrrole.","Organic letters","2014","16","11","3048","3051","10.1021/ol501162f","","","0.71073","MoKα","","0.147","0.0474","","","0.0952","0.1272","","","","","","0.947","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516173","8.058","0.0009","21.225","0.002","8.7995","0.001","90","","102.217","0.001","90","","1470.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 B F2 N4 -","- C14 H17 B F2 N4 -","- C56 H68 B4 F8 N16 -","4","1","","Yu, Changjiang; Jiao, Lijuan; Zhang, Ping; Feng, Zeya; Cheng, Chi; Wei, Yun; Mu, Xiaolong; Hao, Erhong","Highly Fluorescent BF2 Complexes of Hydrazine-Schiff Base Linked Bispyrrole.","Organic letters","2014","16","11","3048","3051","10.1021/ol501162f","","","0.71073","MoKα","","0.0679","0.0488","","","0.1465","0.1627","","","","","","1.043","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516174","29.895","0.018","12.375","0.007","15.464","0.009","90","","107.104","0.006","90","","5468","6","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 F6 N4 O4 -","- C26 H22 F6 N4 O4 -","- C208 H176 F48 N32 O32 -","8","1","","Zhang, Fa-Guang; Wei, Yi; Yi, Yu-Ping; Nie, Jing; Ma, Jun-An","Regioselective Cycloaddition of Trifluorodiazoethane with Electron-Deficient Allenic Esters and Ketones: Access to CF3-Substituted Pyrazolines and Pyrazoles.","Organic letters","2014","16","11","3122","3125","10.1021/ol501249h","","","0.71073","MoKα","","0.0883","0.071","","","0.2089","0.2311","","","","","","1.06","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516175","9.4197","0.0019","8.3092","0.0017","17.992","0.004","90","","98.7","0.03","90","","1392","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C60 H72 N8 O12 -","4","1","","Cai, Shangjun; Chen, Chao; Shao, Peng; Xi, Chanjuan","Rh(III)-Catalyzed Cascade Oxidative Olefination/Cyclization of Picolinamides and Alkenes via C-H Activation.","Organic letters","2014","16","11","3142","3145","10.1021/ol501275r","","","0.71073","MoKα","","","0.0619","","","0.1279","0.1304","","","","","","1.227","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516176","7.5875","0.0015","21.568","0.004","8.3245","0.0017","90","","110.26","0.03","90","","1278","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","","Cai, Shangjun; Chen, Chao; Shao, Peng; Xi, Chanjuan","Rh(III)-Catalyzed Cascade Oxidative Olefination/Cyclization of Picolinamides and Alkenes via C-H Activation.","Organic letters","2014","16","11","3142","3145","10.1021/ol501275r","","","0.71073","MoKα","","","0.0584","","","0.1397","0.1434","","","","","","1.125","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516232","14.729","0.003","15.302","0.003","17.015","0.003","110.482","0.0004","91.5392","0.0017","117.76","0.0013","3094.5","1","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","diphenylvinyliene-substituted heterotriangulene","","- C82.5 H44 F15 N O -","- C82.5 H44 F15 N O -","- C165 H88 F30 N2 O2 -","2","1","","Chou, Chih-Ming; Saito, Shohei; Yamaguchi, Shigehiro","Heterotriangulenes π-Expanded at Bridging Positions.","Organic letters","2014","16","11","2868","2871","10.1021/ol501004g","","","0.71075","MoKα","","0.0615","0.0525","","","0.1402","0.149","","","","","","1.035","","","","has coordinates,has disorder","301776","2025-08-18","14:47:49",""
"1516233","26.3661","0.0005","26.5069","0.0005","39.8191","0.0007","100.01","0.0007","99.1855","0.0007","99.1177","0.0007","26552.9","0.9","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","Dibenzo[c,g]fluorenyl-substituted heterotriangulene","","- C122.4 H59 Cl3.4 F15 N -","- C122.4 H59 Cl3.4 F15 N -","- C1224 H590 Cl34 F150 N10 -","10","5","","Chou, Chih-Ming; Saito, Shohei; Yamaguchi, Shigehiro","Heterotriangulenes π-Expanded at Bridging Positions.","Organic letters","2014","16","11","2868","2871","10.1021/ol501004g","","","1.54187","CuKα","","0.1692","0.1238","","","0.3372","0.3744","","","","","","1.073","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1516234","25.7374","0.0005","16.733","0.0003","30.152","0.0008","90","","114.227","0.0007","90","","11841.7","0.4","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Partially cyclized heterotriangulenes","","- C78 H32 F15 N -","- C78 H32 F15 N -","- C624 H256 F120 N8 -","8","1","","Chou, Chih-Ming; Saito, Shohei; Yamaguchi, Shigehiro","Heterotriangulenes π-Expanded at Bridging Positions.","Organic letters","2014","16","11","2868","2871","10.1021/ol501004g","","","1.54187","CuKα","","0.1632","0.0825","","","0.1855","0.2208","","","","","","0.954","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516235","11.5879","0.0002","11.617","0.0002","19.7761","0.0004","90","","90","","90","","2662.19","0.08","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H16 O6 -","- C13 H16 O6 -","- C104 H128 O48 -","8","1","","Rout, Saroj Kumar; Guin, Srimanta; Ali, Wajid; Gogoi, Anupal; Patel, Bhisma K.","Copper-Catalyzed Esterification of Alkylbenzenes with Cyclic Ethers and Cycloalkanes via C(sp(3))-H Activation Following Cross-Dehydrogenative Coupling.","Organic letters","2014","16","11","3086","3089","10.1021/ol5011906","","","0.71073","MoKα","","0.0566","0.0381","","","0.0965","0.1048","","","","","","0.893","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516236","9.772","0.0004","12.0351","0.0004","17.3162","0.0006","90","","93.947","0.001","90","","2031.68","0.13","296","2","296","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","3,10,14,21-tetrakis(4-methoxyphenyl)pentacyclo[11.8.0.0^2,11^.0^4,9^.0^15,20^] henicosa-1(21),2,4(9),5,7,10,13,15(20),16,18-decaen-12-one","","- C49 H36 O5 -","- C49 H36 O5 -","- C98 H72 O10 -","2","0.5","","Nandakumar, Meganathan; Karunakaran, Jayachandran; Mohanakrishnan, Arasambattu K.","Diels-Alder Reaction of 1,3-Diarylbenzo[c]furans with Thiophene S,S-Dioxide/Indenone Derivatives: A Facile Preparation of Substituted Dibenzothiophene S,S-Dioxides and Fluorenones.","Organic letters","2014","16","11","3068","3071","10.1021/ol501175q","","","0.71073","MoKα","","0.0524","0.0397","","","0.1173","0.1248","","","","","","1.094","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516237","13.7369","0.0005","13.8077","0.0005","16.4824","0.0006","78.442","0.002","68.211","0.002","80.216","0.002","2828.35","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3,10-bis(4-methoxyphenyl)12$^6^-thiapentacyclo[11.8.0.0^2,11^.0^4,9^.0^15,20^] henicosa-1(21),2,4(9),5,7,10,13,15(20),16,18-decaene-12,12-dione","","- C34 H24 O4 S -","- C34 H24 O4 S -","- C136 H96 O16 S4 -","4","2","","Nandakumar, Meganathan; Karunakaran, Jayachandran; Mohanakrishnan, Arasambattu K.","Diels-Alder Reaction of 1,3-Diarylbenzo[c]furans with Thiophene S,S-Dioxide/Indenone Derivatives: A Facile Preparation of Substituted Dibenzothiophene S,S-Dioxides and Fluorenones.","Organic letters","2014","16","11","3068","3071","10.1021/ol501175q","","","0.71073","MoKα","","0.0922","0.0536","","","0.1532","0.1698","","","","","","1.039","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516238","9.9374","0.0002","16.1534","0.0004","13.053","0.0003","90","","100.308","0.001","90","","2061.49","0.08","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,9-diphenyl-17$^6^thiatetracyclo[8.7.0^3,8^.0^11,16^] heptadeca-1,3,5,7,9,11(16),12,14-octane-17,17-dione","","- C28 H18 O2 S -","- C28 H18 O2 S -","- C112 H72 O8 S4 -","4","1","","Nandakumar, Meganathan; Karunakaran, Jayachandran; Mohanakrishnan, Arasambattu K.","Diels-Alder Reaction of 1,3-Diarylbenzo[c]furans with Thiophene S,S-Dioxide/Indenone Derivatives: A Facile Preparation of Substituted Dibenzothiophene S,S-Dioxides and Fluorenones.","Organic letters","2014","16","11","3068","3071","10.1021/ol501175q","","","0.71073","MoKα","","0.1043","0.0541","","","0.1415","0.1689","","","","","","1.021","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516262","8.9016","0.0006","12.934","0.0009","13.6174","0.0009","63.626","0.003","78.563","0.003","80.061","0.003","1370.35","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H38 Au Cl4 N5 -","- C20 H38 Au Cl4 N5 -","- C40 H76 Au2 Cl8 N10 -","2","1","","Mirabdolbaghi, Roya; Dudding, Travis; Stamatatos, Theocharis","A Class of Phase-Transfer Catalyst with Interionic Strain: Insight into the Bonding of Disubstituted N- vs Carbene-Stabilized N(I)-Centered Cations.","Organic letters","2014","16","11","2790","2793","10.1021/ol501068f","","","0.71073","MoKα","","0.0256","0.0233","","","0.0499","0.0513","","","","","","1.195","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516263","16.646","0.004","22.121","0.005","9.329","0.002","90","","90.328","0.007","90","","3435.1","1.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H41 Cl F9 N5 O6 -","- C26 H41 Cl F9 N5 O6 -","- C104 H164 Cl4 F36 N20 O24 -","4","1","","Mirabdolbaghi, Roya; Dudding, Travis; Stamatatos, Theocharis","A Class of Phase-Transfer Catalyst with Interionic Strain: Insight into the Bonding of Disubstituted N- vs Carbene-Stabilized N(I)-Centered Cations.","Organic letters","2014","16","11","2790","2793","10.1021/ol501068f","","","0.71073","MoKα","","0.3472","0.294","","","0.6423","0.6581","","","","","","2.637","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516264","11.939","0.002","12.451","0.003","15.057","0.003","90","","90","","90","","2238.3","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Cl N2 O4 -","- C24 H25 Cl N2 O4 -","- C96 H100 Cl4 N8 O16 -","4","1","","Zhang, Han-Ming; Gao, Zhong-Hua; Ye, Song","Bifunctional N-Heterocyclic Carbene-Catalyzed Highly Enantioselective Synthesis of Spirocyclic Oxindolo-β-lactams.","Organic letters","2014","16","11","3079","3081","10.1021/ol501205v","","","0.71073","MoKα","","0.0406","0.0388","","","0.0851","0.0865","","","","","","1.048","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516265","14.7042","0.0004","8.8119","0.0003","27.6407","0.0007","90","","90","","90","","3581.46","0.18","293","2","293.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H16 N2 O -","- C24 H16 N2 O -","- C192 H128 N16 O8 -","8","1","","Dong, Jiaxing; Wang, Fei; You, Jingsong","Copper-Mediated Tandem Oxidative C(sp(2))-H/C(sp)-H Alkynylation and Annulation of Arenes with Terminal Alkynes.","Organic letters","2014","16","11","2884","2887","10.1021/ol501023n","","","0.7107","MoKα","","0.0834","0.0474","","","0.0893","0.1051","","","","","","1.027","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516282","47.182","0.005","9.857","0.005","32.787","0.005","90","0.005","101.008","0.005","90","0.005","14968","8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H60 Cd2 N10 O21 -","- C54 H40 Cd2 N8 O16 -","- C432 H320 Cd16 N64 O128 -","8","1","","Song, Bai-Qiao; Wang, Xin-Long; Yang, Guang-Sheng; Wang, Hai-Ning; Liang, Jun; Shao, Kui-Zhan; Su, Zhong-Min","A polyrotaxane-like metal‒organic framework exhibiting luminescent sensing of Eu3+cations and proton conductivity","CrystEngComm","2014","16","30","6882","","10.1039/C4CE00546E","","","0.71069","MoKα","","0.0706","0.0459","","","0.1196","0.1283","","","","","","0.963","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516325","6.877","0.0014","16.165","0.003","8.684","0.0017","90","","107.06","0.03","90","","922.9","0.3","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 N O3 P -","- C9 H10 N O3 P -","- C36 H40 N4 O12 P4 -","4","1","","Kim, Yea Rin; Cho, Seungyoon; Lee, Phil Ho","Metal-Free Azaphosphaannulation of Phosphonamides through Intramolecular Oxidative C-N Bond Formation.","Organic letters","2014","16","11","3098","3101","10.1021/ol501207w","","","0.71073","MoKα","","0.0904","0.0582","","","0.1487","0.1583","","","","","","0.919","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516326","7.203","0.0014","8.501","0.0017","17.051","0.003","90","","90.9","0.03","90","","1044","0.3","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N O3 P -","- C10 H12 N O3 P -","- C40 H48 N4 O12 P4 -","4","1","","Kim, Yea Rin; Cho, Seungyoon; Lee, Phil Ho","Metal-Free Azaphosphaannulation of Phosphonamides through Intramolecular Oxidative C-N Bond Formation.","Organic letters","2014","16","11","3098","3101","10.1021/ol501207w","","","0.71073","MoKα","","0.0497","0.0441","","","0.1201","0.123","","","","","","1.072","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516339","8.4867","0.0006","6.5654","0.0005","11.1325","0.0007","90","","108.878","0.003","90","","586.92","0.07","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C24 H30 N2 O6 -","2","1","","Gietter, Amber A. S.; Gildner, Peter G.; Cinderella, Andrew P.; Watson, Donald A.","General Route for Preparing β-Nitrocarbonyl Compounds Using Copper Thermal Redox Catalysis.","Organic letters","2014","16","11","3166","3169","10.1021/ol5014153","","","1.54178","CuKα","","0.1015","0.0853","","","0.2531","0.291","","","","","","1.091","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516340","5.8815","0.0003","8.9902","0.0004","15.9025","0.0007","90","","90","","90","","840.86","0.07","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H11 N O4 -","- C7 H11 N O4 -","- C28 H44 N4 O16 -","4","1","","Gietter, Amber A. S.; Gildner, Peter G.; Cinderella, Andrew P.; Watson, Donald A.","General Route for Preparing β-Nitrocarbonyl Compounds Using Copper Thermal Redox Catalysis.","Organic letters","2014","16","11","3166","3169","10.1021/ol5014153","","","1.54178","CuKα","","0.0281","0.0269","","","0.0763","0.0772","","","","","","1.073","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516341","8.9297","0.0003","13.194","0.0005","14.536","0.0005","90","","98.9222","0.0008","90","","1691.89","0.1","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H29 Cl N2 O3 -","- C14 H29 Cl N2 O3 -","- C56 H116 Cl4 N8 O12 -","4","1","","Gietter, Amber A. S.; Gildner, Peter G.; Cinderella, Andrew P.; Watson, Donald A.","General Route for Preparing β-Nitrocarbonyl Compounds Using Copper Thermal Redox Catalysis.","Organic letters","2014","16","11","3166","3169","10.1021/ol5014153","","","0.71073","MoKα","","0.0506","0.0429","","","0.1151","0.1207","","","","","","1.042","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516342","14.922","0.011","11.523","0.009","9.548","0.007","90","","98.829","0.01","90","","1622","2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 Cl2 N2 O3 -","- C14 H17 Cl2 N2 O3 -","- C56 H68 Cl8 N8 O12 -","4","1","","Gietter, Amber A. S.; Gildner, Peter G.; Cinderella, Andrew P.; Watson, Donald A.","General Route for Preparing β-Nitrocarbonyl Compounds Using Copper Thermal Redox Catalysis.","Organic letters","2014","16","11","3166","3169","10.1021/ol5014153","","","0.71073","MoKα","","0.1039","0.0862","","","0.1798","0.1874","","","","","","1.115","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516343","13.7462","0.0017","11.9167","0.0019","12.602","0.0011","90","","106.292","0.011","90","","1981.4","0.4","294.16","0.1","294.16","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C76 H96 N8 O8 -","4","1","","Tian, Jingjing; Du, Qiuchen; Guo, Rui; Li, Yun; Cheng, Bin; Zhai, Hongbin","Total synthesis of indole alkaloid (±)-subincanadine e.","Organic letters","2014","16","12","3173","3175","10.1021/ol501308p","","","1.5418","CuKα","","0.0777","0.0626","","","0.1708","0.1895","","","","","","1","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516457","7.3662","0.0004","17.2624","0.0008","11.3119","0.0007","90","","107.957","0.004","90","","1368.33","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H19 N O2 S -","- C14 H19 N O2 S -","- C56 H76 N4 O8 S4 -","4","2","","Hirner, Sebastian; Kolb, Andreas; Westmeier, Johannes; Gebhardt, Sandra; Middel, Stephen; Harms, Klaus; von Zezschwitz, Paultheo","Rhodium-catalyzed enantioselective addition of organoaluminum reagents to N-tosyl ketimines.","Organic letters","2014","16","11","3162","3165","10.1021/ol501372u","","","0.71073","MoKα","","0.0389","0.0297","","","0.0594","0.0608","","","","","","0.874","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516458","7.6766","0.0004","17.0877","0.0011","22.6809","0.0012","90","","90","","90","","2975.2","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O2 S -","- C15 H21 N O2 S -","- C120 H168 N8 O16 S8 -","8","2","","Hirner, Sebastian; Kolb, Andreas; Westmeier, Johannes; Gebhardt, Sandra; Middel, Stephen; Harms, Klaus; von Zezschwitz, Paultheo","Rhodium-catalyzed enantioselective addition of organoaluminum reagents to N-tosyl ketimines.","Organic letters","2014","16","11","3162","3165","10.1021/ol501372u","","","0.71073","MoKα","","0.0406","0.0309","","","0.0626","0.0639","","","","","","0.859","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516459","9.7947","0.0004","9.9666","0.0005","16.9986","0.0007","90","","90","","90","","1659.4","0.13","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O2 S -","- C19 H21 N O2 S -","- C76 H84 N4 O8 S4 -","4","1","","Hirner, Sebastian; Kolb, Andreas; Westmeier, Johannes; Gebhardt, Sandra; Middel, Stephen; Harms, Klaus; von Zezschwitz, Paultheo","Rhodium-catalyzed enantioselective addition of organoaluminum reagents to N-tosyl ketimines.","Organic letters","2014","16","11","3162","3165","10.1021/ol501372u","","","0.71073","MoKα","","0.0268","0.0252","","","0.0625","0.0634","","","","","","1.103","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516460","10.2019","0.0012","13.2716","0.0008","11.3946","0.0009","90","","100.893","0.008","90","","1515","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H23 N O2 S -","- C15 H23 N O2 S -","- C60 H92 N4 O8 S4 -","4","2","","Hirner, Sebastian; Kolb, Andreas; Westmeier, Johannes; Gebhardt, Sandra; Middel, Stephen; Harms, Klaus; von Zezschwitz, Paultheo","Rhodium-catalyzed enantioselective addition of organoaluminum reagents to N-tosyl ketimines.","Organic letters","2014","16","11","3162","3165","10.1021/ol501372u","","","0.71073","MoKα","","0.0342","0.0289","","","0.0639","0.065","","","","","","0.943","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516461","9.4716","0.001","10.8769","0.0013","11.9856","0.0013","83.113","0.003","83.385","0.003","87.083","0.003","1216.8","0.2","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 N5 O2 S -","- C29 H23 N5 O2 S -","- C58 H46 N10 O4 S2 -","2","1","","Tokimizu, Yusuke; Oishi, Shinya; Fujii, Nobutaka; Ohno, Hiroaki","Gold-Catalyzed Cascade Cyclization of (Azido)ynamides: An Efficient Strategy for the Construction of Indoloquinolines.","Organic letters","2014","16","11","3138","3141","10.1021/ol5012604","","","0.71075","MoKα","","","0.0527","","","","0.1394","","","","","","1.121","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516462","19.6725","0.0012","18.2791","0.0011","12.5149","0.0007","90","","90","","90","","4500.3","0.5","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H22 N2 O2 S -","- C29 H22 N2 O2 S -","- C232 H176 N16 O16 S8 -","8","1","","Tokimizu, Yusuke; Oishi, Shinya; Fujii, Nobutaka; Ohno, Hiroaki","Gold-Catalyzed Cascade Cyclization of (Azido)ynamides: An Efficient Strategy for the Construction of Indoloquinolines.","Organic letters","2014","16","11","3138","3141","10.1021/ol5012604","","","0.71075","MoKα","","","0.0404","","","","0.058","","","","","","1.331","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516464","21.651","0.005","8.9952","0.0016","13.072","0.003","90","","92.662","0.01","90","","2543.1","0.9","103","2","103","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H30 Cl N2 O4 -","- C26 H30 Cl N2 O4 -","- C104 H120 Cl4 N8 O16 -","4","1","","Xu, Jianfeng; Mou, Chengli; Zhu, Tingshun; Song, Bao-An; Chi, Yonggui Robin","N-heterocyclic carbene-catalyzed chemoselective cross-aza-benzoin reaction of enals with isatin-derived ketimines: access to chiral quaternary aminooxindoles.","Organic letters","2014","16","12","3272","3275","10.1021/ol501286e","","","0.71073","MoKα","","0.1303","0.0534","","","0.1109","0.1426","","","","","","1.006","","","","has coordinates,has disorder","301776","2025-08-18","14:47:49",""
"1516477","12.50619","0.00017","11.55718","0.00016","12.58675","0.00017","90","","97.3759","0.0012","90","","1804.19","0.04","201","5","201","5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Br N O4 S -","- C18 H18 Br N O4 S -","- C72 H72 Br4 N4 O16 S4 -","4","1","","Medina, Florian; Besnard, Céline; Lacour, Jérôme","One-Step Synthesis of Nitrogen-Containing Medium-Sized Rings via α-Imino Diazo Intermediates.","Organic letters","2014","16","12","3232","3235","10.1021/ol5012532","","","1.5418","CuKα","","0.0372","0.0339","","","0.0865","0.0891","","","","","","1.055","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516478","12.4111","0.0004","11.2306","0.0004","12.7572","0.0004","90","","98.363","0.003","90","","1759.24","0.1","180","2","180","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C17 H16 Br N O4 S -","- C17 H16 Br N O4 S -","- C68 H64 Br4 N4 O16 S4 -","4","1","","Medina, Florian; Besnard, Céline; Lacour, Jérôme","One-Step Synthesis of Nitrogen-Containing Medium-Sized Rings via α-Imino Diazo Intermediates.","Organic letters","2014","16","12","3232","3235","10.1021/ol5012532","","","0.7107","MoKα","","0.0416","0.0329","","","0.0715","0.0765","","","","","","1.027","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516499","10.201","0.005","19.08","0.009","16.886","0.008","90","","98.7827","0.0017","90","","3248","3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 P2 S2 -","- C38 H36 P2 S2 -","- C152 H144 P8 S8 -","4","1","","Furukawa, Shunsuke; Haga, Shunsuke; Kobayashi, Junji; Kawashima, Takayuki","Synthesis of π-Extended Dibenzophospholes by Intramolecular Radical Cyclization and Their Properties.","Organic letters","2014","16","12","3228","3231","10.1021/ol501189u","","","0.7107","MoKα","","0.0665","0.0459","","","0.1103","0.1243","","","","","","1.062","","","","has coordinates,has disorder","301776","2025-08-18","14:47:49",""
"1516500","9.151","0.005","12.814","0.008","15.408","0.009","109.378","0.006","91.446","0.005","107.726","0.006","1607.4","1.6","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H36 P2 S2 -","- C38 H36 P2 S2 -","- C76 H72 P4 S4 -","2","1","","Furukawa, Shunsuke; Haga, Shunsuke; Kobayashi, Junji; Kawashima, Takayuki","Synthesis of π-Extended Dibenzophospholes by Intramolecular Radical Cyclization and Their Properties.","Organic letters","2014","16","12","3228","3231","10.1021/ol501189u","","","0.7107","MoKa","","0.0446","0.0374","","","0.1053","0.1117","","","","","","1.038","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516501","7.4232","0.0001","16.138","0.0001","16.7378","0.0001","90","","90","","90","","2005.11","0.03","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O6 -","- C23 H23 N O6 -","- C92 H92 N4 O24 -","4","1","","Xiao, You-Cai; Yue, Cai-Zhen; Chen, Peng-Qiao; Chen, Ying-Chun","Asymmetric Dearomatic Diels-Alder Reactions of Diverse Heteroarenes via π-System Activation.","Organic letters","2014","16","12","3208","3211","10.1021/ol501217u","","","1.54184","CuKα","","0.0311","0.0295","","","0.0778","0.0792","","","","","","1.038","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516517","10.2481","0.0016","10.1664","0.0017","12.1731","0.0019","90","","93.195","0.003","90","","1266.3","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Zhang, Zhi-Jing; Quan, Xue-Jing; Ren, Zhi-Hui; Wang, Yao-Yu; Guan, Zheng-Hui","A Facile BPO-Mediated ortho-Hydroxylation and Benzoylation of N-Alkyl Anilines for Synthesis of 2-Benzamidophenols.","Organic letters","2014","16","12","3292","3295","10.1021/ol501293c","","","0.71073","MoKα","","0.0522","0.0414","","","0.1178","0.1273","","","","","","1.053","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516518","8.226","0.0013","11.711","0.0018","13.239","0.002","90","","106.88","0.003","90","","1220.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","","Zhang, Zhi-Jing; Quan, Xue-Jing; Ren, Zhi-Hui; Wang, Yao-Yu; Guan, Zheng-Hui","A Facile BPO-Mediated ortho-Hydroxylation and Benzoylation of N-Alkyl Anilines for Synthesis of 2-Benzamidophenols.","Organic letters","2014","16","12","3292","3295","10.1021/ol501293c","","","0.71073","MoKα","","0.0675","0.0473","","","0.1185","0.1348","","","","","","1.029","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516522","7.495","0.0006","10.4454","0.0009","35.197","0.003","90","","90","","90","","2755.5","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 N O5 -","- C26 H31 N O5 -","- C104 H124 N4 O20 -","4","1","","Letort, Aurélien; Aouzal, Rémi; Ma, Cong; Long, De-Liang; Prunet, Joëlle","Highly efficient synthesis of the tricyclic core of taxol by cascade metathesis.","Organic letters","2014","16","12","3300","3303","10.1021/ol501304j","","","0.71073","MoKα","","0.1565","0.1164","","","0.2886","0.3085","","","","","","1.054","","","","has coordinates,has disorder","301776","2025-08-18","14:47:49",""
"1516523","6.546","0.003","12.058","0.006","8.846","0.005","90","","97.94","0.03","90","","691.5","0.6","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4R,5S,E)-1-but-2-enoyl-3,4-dimethyl-5-phenylimidazolidin-2-one","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C30 H36 N4 O4 -","2","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Coupling of Optically Active α,β-Unsaturated Carbonyl Compounds with Diaryl Ketones: Asymmetric Synthesis of 4,5,5-Trisubstituted γ-Butyrolactones.","Organic letters","2014","16","12","3348","3351","10.1021/ol5013789","","","0.71075","MoKα","","0.0526","0.0358","","","0.0784","0.0828","","","","","","0.924","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516524","8.9315","0.0015","9.1942","0.0012","21.867","0.003","90","","90","","90","","1795.7","0.5","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(R)-3'-phenyl-10,11-dihydro-3'H-spiro[dibenzo[a,d][7]annulene-5,2'-furan]-5'(4'H)-one","","- C24 H20 O2 -","- C24 H20 O2 -","- C96 H80 O8 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Coupling of Optically Active α,β-Unsaturated Carbonyl Compounds with Diaryl Ketones: Asymmetric Synthesis of 4,5,5-Trisubstituted γ-Butyrolactones.","Organic letters","2014","16","12","3348","3351","10.1021/ol5013789","","","0.71075","MoKα","","0.062","0.0382","","","0.0679","0.0722","","","","","","0.927","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516525","8.284","0.005","13.944","0.006","23.978","0.013","90","","90","","90","","2770","3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4R,5S)-1-((R)-3-(5-hydroxy-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl)- 3-phenylpropanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one","","- C35 H34 N2 O3 -","- C35 H34 N2 O3 -","- C140 H136 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Coupling of Optically Active α,β-Unsaturated Carbonyl Compounds with Diaryl Ketones: Asymmetric Synthesis of 4,5,5-Trisubstituted γ-Butyrolactones.","Organic letters","2014","16","12","3348","3351","10.1021/ol5013789","","","0.71075","MoKα","","0.1001","0.0619","","","0.1543","0.1788","","","","","","0.946","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516526","6.63","0.018","8.27","0.02","22.07","0.1","89.6","0.3","87.7","0.3","80","0.2","1191","7","298","2","298","2","","","","","","","","4","P 1","P 1","1","","(4R,5S)-1-((S)-4-hydroxy-3-methyl-4,4-diphenylbutanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one","","- C28 H30 N2 O3 -","- C28 H30 N2 O3 -","- C56 H60 N4 O6 -","2","2","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Coupling of Optically Active α,β-Unsaturated Carbonyl Compounds with Diaryl Ketones: Asymmetric Synthesis of 4,5,5-Trisubstituted γ-Butyrolactones.","Organic letters","2014","16","12","3348","3351","10.1021/ol5013789","","","0.71075","MoKα","","0.0682","0.0448","","","0.1019","0.1095","","","","","","0.967","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516527","7.297","0.002","12.192","0.004","19.971","0.006","90","","94.898","0.004","90","","1770.2","0.9","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C76 H88 N8 O16 -","4","1","","Patel, Pitambar; Chang, Sukbok","N-substituted hydroxylamines as synthetically versatile amino sources in the iridium-catalyzed mild C-h amidation reaction.","Organic letters","2014","16","12","3328","3331","10.1021/ol501338h","","","0.71073","MoKα","","0.0943","0.0708","","","0.2269","0.2463","","","","","","1.176","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516528","16.479","0.0008","8.855","0.0004","17.7803","0.0009","90","","103.143","0.002","90","","2526.6","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H29 F3 Ir N O4 -","- C26 H29 F3 Ir N O4 -","- C104 H116 F12 Ir4 N4 O16 -","4","1","","Patel, Pitambar; Chang, Sukbok","N-substituted hydroxylamines as synthetically versatile amino sources in the iridium-catalyzed mild C-h amidation reaction.","Organic letters","2014","16","12","3328","3331","10.1021/ol501338h","","","0.71073","MoKα","","0.0334","0.0252","","","0.0587","0.063","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516529","9.508","0.0004","10.4245","0.0004","17.1939","0.0007","90","","98.397","0.0017","90","","1685.92","0.12","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C80 H80 N8 O8 -","4","1","","Patel, Pitambar; Chang, Sukbok","N-substituted hydroxylamines as synthetically versatile amino sources in the iridium-catalyzed mild C-h amidation reaction.","Organic letters","2014","16","12","3328","3331","10.1021/ol501338h","","","0.71073","MoKα","","0.0411","0.0382","","","0.1002","0.103","","","","","","1.093","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516574","7.7904","0.0014","14.7","0.003","19.469","0.003","90","","90","","90","","2229.6","0.7","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 I N3 O4 S -","- C22 H18 I N3 O4 S -","- C88 H72 I4 N12 O16 S4 -","4","1","","Tripathi, Chandra Bhushan; Mukherjee, Santanu","Catalytic enantioselective iodoaminocyclization of hydrazones.","Organic letters","2014","16","12","3368","3371","10.1021/ol5013982","","","0.71073","MoKα","","0.0973","0.0455","","","0.0901","0.1061","","","","","","0.935","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516579","6.6422","0.0006","8.0514","0.0007","20.8031","0.0017","89.74","0.007","87.881","0.007","83.068","0.007","1103.64","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25 N2 O4 S2 -","- C22 H25 N2 O4 S2 -","- C44 H50 N4 O8 S4 -","2","1","","Zhang, Jie; Shao, Ying; Wang, Hongxiang; Luo, Qiang; Chen, Jijun; Xu, Dongmei; Wan, Xiaobing","Dual Roles of Sulfonyl Hydrazides: A Three-Component Reaction To Construct Fully Substituted Pyrazoles Using TBAI/TBHP.","Organic letters","2014","16","12","3312","3315","10.1021/ol501312s","","","0.71073","MoKα","","0.0687","0.0529","","","0.1178","0.1251","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516580","12.0564","0.0009","12.1122","0.0009","12.1107","0.0009","90","","110.407","0.001","90","","1657.5","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H12 S2 -","- C24 H12 S2 -","- C96 H48 S8 -","4","1","","Xiong, Xiao-Dong; Deng, Chun-Lin; Peng, Xiao-Shui; Miao, Qian; Wong, Henry N. C.","Heteroatom-bridged tetraphenylenes: synthesis, structures, and properties.","Organic letters","2014","16","12","3252","3255","10.1021/ol501267z","","","0.71073","MoKα","","0.0898","0.0875","","","0.2154","0.2225","","","","","","1.071","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516581","12.7769","0.0007","20.4663","0.001","16.3532","0.0009","90","","109.347","0.001","90","","4034.8","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H12 Se4 -","- C24 H12 Se4 -","- C192 H96 Se32 -","8","2","","Xiong, Xiao-Dong; Deng, Chun-Lin; Peng, Xiao-Shui; Miao, Qian; Wong, Henry N. C.","Heteroatom-bridged tetraphenylenes: synthesis, structures, and properties.","Organic letters","2014","16","12","3252","3255","10.1021/ol501267z","","","0.71073","MoKα","","0.0574","0.0346","","","0.0809","0.0926","","","","","","1.02","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516582","10.4127","0.0005","18.6669","0.0009","13.9771","0.0007","90","","107.068","0.001","90","","2597.1","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 N2 -","- C38 H26 N2 -","- C152 H104 N8 -","4","1","","Xiong, Xiao-Dong; Deng, Chun-Lin; Peng, Xiao-Shui; Miao, Qian; Wong, Henry N. C.","Heteroatom-bridged tetraphenylenes: synthesis, structures, and properties.","Organic letters","2014","16","12","3252","3255","10.1021/ol501267z","","","0.71073","MoKα","","0.0383","0.0356","","","0.0865","0.0891","","","","","","1.054","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516583","12.3385","0.0012","15.6948","0.0015","3.8193","0.0004","90","","90","","90","","739.61","0.13","173","2","173","2","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- C24 H8 O2 -","- C24 H8 O2 -","- C48 H16 O4 -","2","0.25","","Xiong, Xiao-Dong; Deng, Chun-Lin; Peng, Xiao-Shui; Miao, Qian; Wong, Henry N. C.","Heteroatom-bridged tetraphenylenes: synthesis, structures, and properties.","Organic letters","2014","16","12","3252","3255","10.1021/ol501267z","","","0.71073","MoKα","","0.0677","0.0614","","","0.1671","0.1747","","","","","","1.034","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516584","28.5952","0.0014","7.5369","0.0003","15.6922","0.0008","90","","90","","90","","3382","0.3","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C24 H12 Se2 -","- C24 H12 Se2 -","- C192 H96 Se16 -","8","1","","Xiong, Xiao-Dong; Deng, Chun-Lin; Peng, Xiao-Shui; Miao, Qian; Wong, Henry N. C.","Heteroatom-bridged tetraphenylenes: synthesis, structures, and properties.","Organic letters","2014","16","12","3252","3255","10.1021/ol501267z","","","0.71073","MoKα","","0.0251","0.0199","","","0.0471","0.0502","","","","","","1.055","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516585","18.0254","0.0013","10.3777","0.0008","12.614","0.0009","90","","101.085","0.001","90","","2315.6","0.3","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C36 H22 N2 -","- C36 H22 N2 -","- C144 H88 N8 -","4","0.5","","Xiong, Xiao-Dong; Deng, Chun-Lin; Peng, Xiao-Shui; Miao, Qian; Wong, Henry N. C.","Heteroatom-bridged tetraphenylenes: synthesis, structures, and properties.","Organic letters","2014","16","12","3252","3255","10.1021/ol501267z","","","0.71073","MoKα","","0.047","0.0417","","","0.104","0.1112","","","","","","1.076","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516586","8.0482","0.0004","14.1277","0.0008","15.3665","0.0008","99.073","0.002","94.101","0.003","91.448","0.002","1719.75","0.16","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H45 Br N2 O6 Si -","- C34 H45 Br N2 O6 Si -","- C68 H90 Br2 N4 O12 Si2 -","2","1","","Han, Seo-Jung; Vogt, Florian; Krishnan, Shyam; May, Jeremy A.; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M.","A diastereodivergent synthetic strategy for the syntheses of communesin f and perophoramidine.","Organic letters","2014","16","12","3316","3319","10.1021/ol5013263","","","0.71073","MoKα","","0.0754","0.0402","","","0.0805","0.0892","","","","","","1.117","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516587","9.1581","0.0002","12.6857","0.0003","16.703","0.0003","90","","90","","90","","1940.5","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 Br N2 O5 -","- C22 H19 Br N2 O5 -","- C88 H76 Br4 N8 O20 -","4","1","","Han, Seo-Jung; Vogt, Florian; Krishnan, Shyam; May, Jeremy A.; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M.","A diastereodivergent synthetic strategy for the syntheses of communesin f and perophoramidine.","Organic letters","2014","16","12","3316","3319","10.1021/ol5013263","","","0.71073","MoKα","","0.0337","0.0252","","","0.0489","0.05","","","","","","1.035","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1516603","23.009","0.004","5.4564","0.001","13.699","0.003","90","","103.943","0.003","90","","1669.2","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 B N O -","- C20 H20 B N O -","- C80 H80 B4 N4 O4 -","4","1","","Brown, Alec N.; Zakharov, Lev N.; Mikulas, Tanya; Dixon, David A.; Liu, Shih-Yuan","Rhodium-Catalyzed B-H Activation of 1,2-Azaborines: Synthesis and Characterization of BN Isosteres of Stilbenes.","Organic letters","2014","16","12","3340","3343","10.1021/ol501362w","","","0.71073","MoKα","","0.0418","0.0345","","","0.0994","0.1152","","","","","","1.026","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516604","6.7908","0.0004","8.8056","0.0005","28.0909","0.0015","90","","95.65","0.003","90","","1671.59","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 O3 -","- C21 H24 O3 -","- C84 H96 O12 -","4","1","","Lee, Jihoon; Panek, James S.","Synthesis of Isochromene-Type Scaffolds via Single-Flask Diels-Alder-[4 + 2]-Annulation Sequence of a Silyl-Substituted Diene with Menadione.","Organic letters","2014","16","12","3320","3323","10.1021/ol501329t","","","1.54178","CuKα","","0.0504","0.0442","","","0.1115","0.1174","","","","","","1.183","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516606","10.58564","0.00019","6.27352","0.00011","16.626","0.0003","90","","95.2712","0.001","90","","1099.45","0.03","173","","173","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 -","- C30 H24 -","- C60 H48 -","2","0.5","","Horino, Yoshikazu; Takahashi, Yu; Koketsu, Kaori; Abe, Hitoshi; Tsuge, Kiyoshi","Practical and Convenient Synthesis of 1,6-Di- or 1,2,5,6-Tetra-arylhexa-1,3,5-trienes by the Dimerization of Pd(0)-Complexed Alkenylcarbenes Generated from π-Allylpalladium Intermediates.","Organic letters","2014","16","12","3184","3187","10.1021/ol501643x","","","1.54187","CuKα","","","0.0359","","","","0.0993","","","","","","1.096","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516607","6.8751","0.0008","8.4919","0.001","22.997","0.003","90","","90","","90","","1342.6","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 Br N O4 S -","- C11 H14 Br N O4 S -","- C44 H56 Br4 N4 O16 S4 -","4","1","","Chen, Ya-Jing; Chen, Ya-Heng; Feng, Chen-Guo; Lin, Guo-Qiang","Enantioselective Rhodium-Catalyzed Arylation of Cyclic N-Sulfamidate Alkylketimines: A New Access to Chiral β-Alkyl-β-aryl Amino Alcohols.","Organic letters","2014","16","12","3400","3403","10.1021/ol501464e","","","0.71073","MoKα","","0.0416","0.0325","","","0.0739","0.0765","","","","","","0.964","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516608","10.365","0.004","11.372","0.0012","15.121","0.002","90","","96.49","0.02","90","","1770.9","0.7","291","2","291.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 O5 P -","- C19 H19 O5 P -","- C76 H76 O20 P4 -","4","1","","Mi, Xia; Wang, Chenyang; Huang, Mengmeng; Zhang, Jianye; Wu, Yusheng; Wu, Yangjie","Silver-Catalyzed Synthesis of 3-Phosphorated Coumarins via Radical Cyclization of Alkynoates and Dialkyl H-Phosphonates.","Organic letters","2014","16","12","3356","3359","10.1021/ol5013839","","","0.71073","MoKα","","0.0671","0.0451","","","0.1018","0.1129","","","","","","1.021","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516627","5.6849","0.0008","7.6858","0.001","32.425","0.004","90","","90","","90","","1416.7","0.3","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Cl2 -","- C16 H14 Cl2 -","- C64 H56 Cl8 -","4","1","","Srinivas, Harathi D.; Zhou, Qi; Watson, Mary P.","Enantiospecific, nickel-catalyzed cross-couplings of allylic pivalates and arylboroxines.","Organic letters","2014","16","13","3596","3599","10.1021/ol5016724","","","1.54178","CuKα","","0.029","0.0288","","","0.0806","0.0807","","","","","","1.025","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516628","6.5056","0.0006","8.2425","0.0008","21.78","0.002","90","","90","","90","","1167.9","0.19","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N O4 S -","- C10 H15 N O4 S -","- C40 H60 N4 O16 S4 -","4","1","","Choudhary, Amit; Newberry, Robert W.; Raines, Ronald T.","n→ π* Interactions Engender Chirality in Carbonyl Groups.","Organic letters","2014","16","13","3421","3423","10.1021/ol5012967","","","0.71073","MoKα","","0.0259","0.0248","","","0.065","0.0658","","","","","","1.065","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516629","8.4606","0.0003","9.8014","0.0003","14.3985","0.0005","90","","90","","90","","1194.01","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N O4 S -","- C10 H15 N O4 S -","- C40 H60 N4 O16 S4 -","4","1","","Choudhary, Amit; Newberry, Robert W.; Raines, Ronald T.","n→ π* Interactions Engender Chirality in Carbonyl Groups.","Organic letters","2014","16","13","3421","3423","10.1021/ol5012967","","","0.71073","MoKα","","0.0352","0.0315","","","0.0786","0.0822","","","","","","1.075","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516630","7.9045","0.0005","10.8117","0.0007","11.4208","0.0008","90","","90","","90","","976.03","0.11","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H13 N O3 S -","- C8 H13 N O3 S -","- C32 H52 N4 O12 S4 -","4","1","","Choudhary, Amit; Newberry, Robert W.; Raines, Ronald T.","n→ π* Interactions Engender Chirality in Carbonyl Groups.","Organic letters","2014","16","13","3421","3423","10.1021/ol5012967","","","0.71073","MoKα","","0.0352","0.0306","","","0.0752","0.0787","","","","","","1.064","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516631","6.3034","0.0009","6.8102","0.0009","12.5634","0.0017","90","","99.245","0.002","90","","532.31","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H15 N O3 S -","- C9 H15 N O3 S -","- C18 H30 N2 O6 S2 -","2","1","","Choudhary, Amit; Newberry, Robert W.; Raines, Ronald T.","n→ π* Interactions Engender Chirality in Carbonyl Groups.","Organic letters","2014","16","13","3421","3423","10.1021/ol5012967","","","0.71073","MoKα","","0.0422","0.0349","","","0.0806","0.085","","","","","","1.072","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516632","6.4374","0.0004","11.8996","0.0007","12.6886","0.0007","90","","90","","90","","971.98","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H13 N O3 S -","- C8 H13 N O3 S -","- C32 H52 N4 O12 S4 -","4","1","","Choudhary, Amit; Newberry, Robert W.; Raines, Ronald T.","n→ π* Interactions Engender Chirality in Carbonyl Groups.","Organic letters","2014","16","13","3421","3423","10.1021/ol5012967","","","0.71073","MoKα","","0.0237","0.0232","","","0.0637","0.0641","","","","","","1.048","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516633","14.493","0.006","6.393","0.003","11.849","0.005","90","","96.568","0.006","90","","1090.6","0.8","273","2","273","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C9 H15 N O3 S -","- C9 H15 N O3 S -","- C36 H60 N4 O12 S4 -","4","1","","Choudhary, Amit; Newberry, Robert W.; Raines, Ronald T.","n→ π* Interactions Engender Chirality in Carbonyl Groups.","Organic letters","2014","16","13","3421","3423","10.1021/ol5012967","","","0.71073","MoKα","","0.0539","0.0485","","","0.1201","0.1246","","","","","","1.043","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516634","8.7505","0.0008","9.3028","0.0007","15.4206","0.0013","90","","90","","90","","1255.3","0.18","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O4 -","- C16 H14 O4 -","- C64 H56 O16 -","4","1","","Li, Xin; Lin, Mao-Hui; Han, Yu; Wang, Feng; Cheng, Jin-Pei","Correction to Asymmetric Diels-Alder Reaction of 3-Olefinic Benzofuran-2-ones and Polyenals: Construction of Chiral Spirocyclic Benzofuran-2-ones.","Organic letters","2014","16","14","3847","","10.1021/ol501615q","","","0.71073","MoKα","","0.0369","0.0366","","","0.096","0.0962","","","","","","1.144","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516664","16.4531","0.0009","12.9636","0.0006","15.6226","0.0009","90","","102.578","0.006","90","","3252.2","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 N -","- C22 H17 N -","- C176 H136 N8 -","8","1","","Han, Wenjia; Zhang, Guoying; Li, Guangxing; Huang, Hanmin","Rh-catalyzed sequential oxidative C-h and N-N bond activation: conversion of azines into isoquinolines with air at room temperature.","Organic letters","2014","16","13","3532","3535","10.1021/ol501483k","","","0.7107","MoKα","","0.1102","0.0647","","","0.1468","0.1777","","","","","","1.05","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516665","10.7866","0.0004","7.7855","0.0003","14.9348","0.0007","90","","99.41","0.004","90","","1237.33","0.09","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H36 O4 -","- C30 H36 O4 -","- C60 H72 O8 -","2","1","","Tian, Wen-Jing; Yu, Yang; Yao, Xiao-Jun; Chen, Hai-Feng; Dai, Yi; Zhang, Xiao-Kun; Yao, Xin-Sheng","Norsampsones A-D, Four New Decarbonyl Polycyclic Polyprenylated Acylphloroglucinols from Hypericum sampsonii.","Organic letters","2014","16","13","3448","3451","10.1021/ol501333k","","","1.54178","CuKα","","0.0391","0.034","","","0.078","0.0824","","","","","","1.07","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516690","12.86","0.006","26.508","0.012","15.338","0.007","90","","110.628","0.003","90","","4893","4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H52 N2 S4 -","- C60 H52 N2 S4 -","- C240 H208 N8 S16 -","4","1","","Karthik, Ganesan; Srinivasan, A.; Chandrashekar, Tavarekere K.","meso-Aryl Core-Modified Fused Sapphyrins: Syntheses and Structural Diversity.","Organic letters","2014","16","13","3472","3475","10.1021/ol501395t","","","0.71073","MoKα","","0.0849","0.0487","","","0.1133","0.131","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516691","10.9901","0.0006","11.6965","0.0007","13.3134","0.0008","66.633","0.001","67.953","0.001","82.977","0.001","1455.43","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","2","","Zhao, Chen; Li, Ping; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Experimental Study of the Cooperativity of CH-π Interactions.","Organic letters","2014","16","13","3520","3523","10.1021/ol5014729","","","0.71073","MoKα","","0.0526","0.0444","","","0.1112","0.1175","","","","","","1.036","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516692","10.1567","0.0017","12.264","0.002","13.09","0.002","76.602","0.004","73.82","0.004","74.329","0.004","1486","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H31 N O3 -","- C42 H31 N O3 -","- C84 H62 N2 O6 -","2","1","","Zhao, Chen; Li, Ping; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Experimental Study of the Cooperativity of CH-π Interactions.","Organic letters","2014","16","13","3520","3523","10.1021/ol5014729","","","0.71073","MoKα","","0.0653","0.0469","","","0.1043","0.1139","","","","","","1.024","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516693","10.6344","0.0009","13.5264","0.0011","22.2337","0.0018","90","","94.961","0.002","90","","3186.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H32 N2 O3 -","- C43 H32 N2 O3 -","- C172 H128 N8 O12 -","4","1","","Zhao, Chen; Li, Ping; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Experimental Study of the Cooperativity of CH-π Interactions.","Organic letters","2014","16","13","3520","3523","10.1021/ol5014729","","","0.71073","MoKα","","0.0449","0.0375","","","0.0976","0.1019","","","","","","1.058","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516694","16.9467","0.0013","12.1612","0.001","31.646","0.003","90","","97.377","0.002","90","","6468","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H29 Cl2 N O3 -","- C43 H29 Cl2 N O3 -","- C344 H232 Cl16 N8 O24 -","8","2","","Zhao, Chen; Li, Ping; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Experimental Study of the Cooperativity of CH-π Interactions.","Organic letters","2014","16","13","3520","3523","10.1021/ol5014729","","","0.71073","MoKα","","0.1177","0.0821","","","0.181","0.1968","","","","","","1.068","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516703","9.8869","0.0009","8.4979","0.0007","17.1534","0.0017","90","","103.026","0.011","90","","1404.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C64 H48 N8 O12 -","4","1","","Zheng, Jing; Zhang, Yan; Cui, Sunliang","Rh(III)-Catalyzed Selective Coupling of N-Methoxy-1H-indole-1-carboxamides and Aryl Boronic Acids.","Organic letters","2014","16","13","3560","3563","10.1021/ol5014312","","","0.71073","MoKα","","0.062","0.0418","","","0.099","0.1124","","","","","","1.012","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516704","7.1463","0.0003","10.177","0.0004","13.3296","0.0005","99.67","0.0015","92.942","0.0016","99.295","0.0015","940.04","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 Cl3 N O3 -","- C17 H22 Cl3 N O3 -","- C34 H44 Cl6 N2 O6 -","2","1","","Manikandan, Rajendran; Jeganmohan, Masilamani","Ruthenium-catalyzed cyclization of anilides with substituted propiolates or acrylates: an efficient route to 2-quinolinones.","Organic letters","2014","16","13","3568","3571","10.1021/ol501548e","","","1.54178","CuKα","","0.0479","0.043","","","0.156","0.1621","","","","","","1.346","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516705","5.9003","0.0003","14.002","0.0007","21.7297","0.001","90","","90","","90","","1795.22","0.15","180.01","0.1","180.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 N O2 -","- C22 H21 N O2 -","- C88 H84 N4 O8 -","4","1","","Yu, Yuanyuan; Wang, Chunyu; He, Xinze; Yao, Xiaotong; Zu, Liansuo","Efficient Assembly of Polysubstituted Pyrroles via a (3 + 2) Cycloaddition/Skeletal Rearrangement/Redox Isomerization Cascade Reaction.","Organic letters","2014","16","13","3580","3583","10.1021/ol501580b","","","0.7107","MoKα","","0.0538","0.042","","","0.098","0.1042","","","","","","1.067","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516706","10.7784","0.0009","30.335","0.003","10.6785","0.0009","90","","115.168","0.002","90","","3160","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H41 N3 O5 Si2 -","- C25 H41 N3 O5 Si2 -","- C100 H164 N12 O20 Si8 -","4","1","","Liu, Yang; Jin, Shiyu; Wang, Zi; Song, Linhua; Hu, Youhong","Microwave Assisted Tandem Heck-Sonogashira Reactions of N,N-Di-Boc-Protected 6-Amino-5-iodo-2-methyl Pyrimidin-4-ol in An Efficient Approach to Functionalized Pyrido[2,3-d]Pyrimidines.","Organic letters","2014","16","13","3524","3527","10.1021/ol501459e","","","0.71073","MoKα","","0.0829","0.0574","","","0.1422","0.1538","","","","","","0.944","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516707","11.0471","0.0014","12.0602","0.0015","16.587","0.002","79.775","0.002","77.726","0.002","86.565","0.002","2124.5","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H21 N -","- C30 H21 N -","- C120 H84 N4 -","4","2","","Wang, Shaoyin; Chai, Zhuo; Wei, Yun; Zhu, Xiancui; Zhou, Shuangliu; Wang, Shaowu","Lewis Acid Catalyzed Cascade Reaction to Carbazoles and Naphthalenes via Dehydrative [3 + 3]-Annulation.","Organic letters","2014","16","13","3592","3595","10.1021/ol501605h","","","0.71073","MoKα","","0.1022","0.0498","","","0.1095","0.1322","","","","","","1","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516708","10.6667","0.0017","12.2374","0.0019","18.702","0.003","73.907","0.002","82.088","0.002","76.905","0.002","2277.2","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H23 N O -","- C31 H23 N O -","- C124 H92 N4 O4 -","4","2","","Wang, Shaoyin; Chai, Zhuo; Wei, Yun; Zhu, Xiancui; Zhou, Shuangliu; Wang, Shaowu","Lewis Acid Catalyzed Cascade Reaction to Carbazoles and Naphthalenes via Dehydrative [3 + 3]-Annulation.","Organic letters","2014","16","13","3592","3595","10.1021/ol501605h","","","0.71073","MoKα","","0.1131","0.0517","","","0.1176","0.1456","","","","","","1.009","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516709","7.5251","0.0005","13.3225","0.0009","21.8161","0.0015","90","","90","","90","","2187.1","0.3","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C30 H22 O2 -","- C30 H22 O2 -","- C120 H88 O8 -","4","1","","Wang, Shaoyin; Chai, Zhuo; Wei, Yun; Zhu, Xiancui; Zhou, Shuangliu; Wang, Shaowu","Lewis Acid Catalyzed Cascade Reaction to Carbazoles and Naphthalenes via Dehydrative [3 + 3]-Annulation.","Organic letters","2014","16","13","3592","3595","10.1021/ol501605h","","","0.71073","MoKα","","0.0442","0.0369","","","0.083","0.0877","","","","","","1.031","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516710","6.737","0.002","10.853","0.003","12.232","0.004","80.759","0.005","86.793","0.005","73.199","0.005","845","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H16 O4 -","- C23 H16 O4 -","- C46 H32 O8 -","2","1","","Bhojgude, Sachin Suresh; Thangaraj, Manikandan; Suresh, Eringathodi; Biju, Akkattu T.","Tandem [4 + 2]/[2 + 2] cycloaddition reactions involving indene or benzofurans and arynes.","Organic letters","2014","16","13","3576","3579","10.1021/ol501579d","","","0.71073","MoKα","","0.1426","0.1063","","","0.2824","0.3222","","","","","","1.061","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516711","7.9519","0.0017","12.792","0.003","17.476","0.004","90","","90","","90","","1777.7","0.7","298","2","298","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H22 O -","- C24 H22 O -","- C96 H88 O4 -","4","1","","Bhojgude, Sachin Suresh; Thangaraj, Manikandan; Suresh, Eringathodi; Biju, Akkattu T.","Tandem [4 + 2]/[2 + 2] cycloaddition reactions involving indene or benzofurans and arynes.","Organic letters","2014","16","13","3576","3579","10.1021/ol501579d","","","0.71073","MoKα","","0.0733","0.0704","","","0.1562","0.1577","","","","","","1.229","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516712","12.055","0.005","8.557","0.004","23.454","0.01","90","","90.843","0.006","90","","2419.1","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 N O3 S -","- C28 H27 N O3 S -","- C112 H108 N4 O12 S4 -","4","1","","Feng, Xin; Wang, Huiqing; Yang, Bo; Fan, Renhua","One-Pot Synthesis of Highly Substituted 4-Acetonylindoles via Sequential Dearomatization and Silver-Catalyzed Domino Reaction.","Organic letters","2014","16","13","3600","3603","10.1021/ol501678v","","","0.71073","MoKα","","0.1101","0.0772","","","0.2028","0.241","","","","","","0.98","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516713","8.762","0.004","27.035","0.011","8.561","0.004","90","","99.436","0.009","90","","2000.5","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O6 -","- C21 H22 N2 O6 -","- C84 H88 N8 O24 -","4","1","","Li, Deng Yuan; Mao, Xiao Feng; Chen, Hao Jie; Chen, Guo Rong; Liu, Pei Nian","Rhodium-Catalyzed Addition-Cyclization of Hydrazines with Alkynes: Pyrazole Synthesis via Unexpected C-N Bond Cleavage.","Organic letters","2014","16","13","3476","3479","10.1021/ol501402p","","","0.71073","MoKα","","0.0595","0.0424","","","0.101","0.1101","","","","","","1.025","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516714","8.9238","0.0016","10.559","0.0018","11.636","0.002","63.623","0.003","88.104","0.003","66.937","0.003","890.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 Cl N2 O4 -","- C19 H15 Cl N2 O4 -","- C38 H30 Cl2 N4 O8 -","2","1","","Li, Deng Yuan; Mao, Xiao Feng; Chen, Hao Jie; Chen, Guo Rong; Liu, Pei Nian","Rhodium-Catalyzed Addition-Cyclization of Hydrazines with Alkynes: Pyrazole Synthesis via Unexpected C-N Bond Cleavage.","Organic letters","2014","16","13","3476","3479","10.1021/ol501402p","","","0.71073","MoKα","","0.0716","0.0633","","","0.1807","0.1931","","","","","","1.038","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516715","9.0549","0.0018","10.608","0.002","11.805","0.002","71.659","0.004","87.306","0.004","73.948","0.004","1033.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 N2 O6 -","- C21 H22 N2 O6 -","- C42 H44 N4 O12 -","2","1","","Li, Deng Yuan; Mao, Xiao Feng; Chen, Hao Jie; Chen, Guo Rong; Liu, Pei Nian","Rhodium-Catalyzed Addition-Cyclization of Hydrazines with Alkynes: Pyrazole Synthesis via Unexpected C-N Bond Cleavage.","Organic letters","2014","16","13","3476","3479","10.1021/ol501402p","","","0.71073","MoKα","","0.0733","0.0537","","","0.1374","0.1552","","","","","","1.052","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516726","9.115","0.003","10.756","0.004","19.937","0.007","90","","90","","90","","1954.6","1.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 N O2 -","- C26 H23 N O2 -","- C104 H92 N4 O8 -","4","1","","Marsh, Barrie J.; Adams, Harry; Barker, Mike D.; Kutama, Ibrahim U.; Jones, Simon","Enantioselective Catalytic Desymmetrization of Maleimides by Temporary Removal of an Internal Mirror Plane and Stereoablative Over-reduction: Synthesis of (R)-Pyrrolam A.","Organic letters","2014","16","14","3780","","10.1021/ol5016702","","","0.71073","MoKα","","0.0539","0.0442","","","0.1166","0.1248","","","","","","1.137","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516727","8.755","0.003","11.955","0.003","19.235","0.005","90","","90","","90","","2013.3","1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 N O3 -","- C26 H23 N O3 -","- C104 H92 N4 O12 -","4","1","","Marsh, Barrie J.; Adams, Harry; Barker, Mike D.; Kutama, Ibrahim U.; Jones, Simon","Enantioselective Catalytic Desymmetrization of Maleimides by Temporary Removal of an Internal Mirror Plane and Stereoablative Over-reduction: Synthesis of (R)-Pyrrolam A.","Organic letters","2014","16","14","3780","","10.1021/ol5016702","","","0.71073","MoKα","","0.1801","0.0754","","","0.1125","0.1477","","","","","","1.06","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516764","6.208","0.002","7.7318","0.0013","14","0.003","100.602","0.015","91.28","0.02","104.16","0.02","638.8","0.3","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C13 H17 N O S -","- C13 H17 N O S -","- C26 H34 N2 O2 S2 -","2","2","","Guntreddi, Tirumaleswararao; Vanjari, Rajeshwer; Singh, Krishna Nand","Decarboxylative Thioamidation of Arylacetic and Cinnamic Acids: A New Approach to Thioamides.","Organic letters","2014","16","14","3624","","10.1021/ol501482g","","","0.71073","MoKα","","0.0634","0.042","","","0.0968","0.114","","","","","","1.038","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516765","5.6661","0.0004","10.9417","0.0006","17.4225","0.0009","90","","90","","90","","1080.14","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N O S -","- C11 H13 N O S -","- C44 H52 N4 O4 S4 -","4","1","","Guntreddi, Tirumaleswararao; Vanjari, Rajeshwer; Singh, Krishna Nand","Decarboxylative Thioamidation of Arylacetic and Cinnamic Acids: A New Approach to Thioamides.","Organic letters","2014","16","14","3624","","10.1021/ol501482g","","","0.71073","MoKα","","0.0847","0.0612","","","0.1526","0.174","","","","","","1.046","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516766","7.4266","0.0009","8.8041","0.0011","15.597","0.002","95.741","0.001","95.028","0.002","105.542","0.002","970.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 N2 O -","- C26 H22 N2 O -","- C52 H44 N4 O2 -","2","1","","Cong, Xuefeng; Zeng, Xiaoming","Iron-Catalyzed, Chelation-Induced Remote C-H Allylation of Quinolines via 8-Amido Assistance.","Organic letters","2014","16","14","3716","","10.1021/ol501534z","","","0.71073","MoKα","","0.0402","0.0379","","","0.1046","0.1071","","","","","","1.046","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516767","16.8889","0.0013","5.4753","0.0004","19.842","0.0015","90","","108.531","0.001","90","","1739.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N2 O -","- C22 H21 N2 O -","- C88 H84 N8 O4 -","4","1","","Cong, Xuefeng; Zeng, Xiaoming","Iron-Catalyzed, Chelation-Induced Remote C-H Allylation of Quinolines via 8-Amido Assistance.","Organic letters","2014","16","14","3716","","10.1021/ol501534z","","","0.71073","MoKα","","0.0534","0.0443","","","0.1178","0.1253","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516773","10.6163","0.0002","8.2221","0.0002","20.1917","0.0004","90","","97.374","0.002","90","","1747.92","0.06","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C88 H80 N8 O8 -","4","2","","Wu, Xiang; Chen, Shu-Sen; Hu, Yue; Gong, Liu-Zhu","Gold-Catalyzed [1,5]-Hydride Shift onto Unactivated Alkynes To Trigger an Intermolecular Diels-Alder Reaction.","Organic letters","2014","16","14","3820","","10.1021/ol5017355","","","1.54184","CuKα","","0.0394","0.0358","","","0.095","0.0986","","","","","","1.03","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516774","8.7957","0.0004","24.5476","0.0011","12.65","0.0005","90","","96.1755","0.0016","90","","2715.5","0.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 Cl F6 N4 O5 S2 -","- C23 H23 Cl F6 N4 O5 S2 -","- C92 H92 Cl4 F24 N16 O20 S8 -","4","1","","Berry, Matthew T.; Castrejon, Disnay; Hein, Jason E.","Oxidative Esterification of Aldehydes Using Mesoionic 1,2,3-Triazolyl Carbene Organocatalysts.","Organic letters","2014","16","14","3676","","10.1021/ol501458p","","x-ray","0.71073","MoKα","K-L~3~","0.0476","0.0374","","","0.0847","0.0884","","","","","","1.054","","","","has coordinates,has disorder","301776","2025-08-18","14:47:50",""
"1516775","7.6867","0.0008","9.696","0.001","15.7952","0.0017","100.828","0.002","98.209","0.002","102.819","0.002","1106.3","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H22 O9 -","- C26 H22 O9 -","- C52 H44 O18 -","2","1","","Wright, Nathan E.; ElSohly, Adel M.; Snyder, Scott A.","Syntheses of Cyclotriveratrylene Analogues and Their Long Elusive Triketone Congeners.","Organic letters","2014","16","14","3644","","10.1021/ol501284s","","","0.71073","MoKα","","0.0684","0.0446","","","0.1168","0.1315","","","","","","1.031","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516776","12.7447","0.0014","11.7233","0.0013","15.8897","0.0018","90","","96.2678","0.0016","90","","2359.9","0.5","130","2","130","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 O8 -","- C27 H26 O8 -","- C108 H104 O32 -","4","1","","Wright, Nathan E.; ElSohly, Adel M.; Snyder, Scott A.","Syntheses of Cyclotriveratrylene Analogues and Their Long Elusive Triketone Congeners.","Organic letters","2014","16","14","3644","","10.1021/ol501284s","","","0.71073","MoKα","","0.0541","0.0446","","","0.1227","0.1316","","","","","","1.038","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516777","20.637","0.003","20.637","0.003","4.4453","0.0007","90","","90","","120","","1639.6","0.4","130","2","130","2","","","","","","","","3","P 3","P 3","143","","","","- C27 H30 O6 -","- C27 H30 O6 -","- C81 H90 O18 -","3","1","","Wright, Nathan E.; ElSohly, Adel M.; Snyder, Scott A.","Syntheses of Cyclotriveratrylene Analogues and Their Long Elusive Triketone Congeners.","Organic letters","2014","16","14","3644","","10.1021/ol501284s","","","0.71073","MoKα","","0.0467","0.0379","","","0.086","0.0915","","","","","","1.016","","","","has coordinates,has disorder","301776","2025-08-18","14:47:50",""
"1516778","8.514","0.0006","11.9243","0.0009","13.0666","0.0009","75.732","0.004","89.44","0.004","86.411","0.004","1283.1","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 Br2 N2 O -","- C30 H22 Br2 N2 O -","- C60 H44 Br4 N4 O2 -","2","1","","Dawande, Sudam Ganpat; Kanchupalli, Vinaykumar; Lad, Bapurao Sudam; Rai, Jyoti; Katukojvala, Sreenivas","Synergistic Rhodium(II) Carboxylate and Brønsted Acid Catalyzed Multicomponent Reactions of Enalcarbenoids: Direct Synthesis of α-Pyrrolylbenzylamines.","Organic letters","2014","16","14","3700","","10.1021/ol501508f","","","0.71073","MoKα","","0.0615","0.0411","","","0.1029","0.1123","","","","","","1.029","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516779","14.341","0.004","11.316","0.003","17.625","0.005","90","","114.01","","90","","2612.8","1.2","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H14 O2 S -","- C15 H14 O2 S -","- C120 H112 O16 S8 -","8","2","","Liu, Feng-Lei; Chen, Jia-Rong; Zou, You-Quan; Wei, Qiang; Xiao, Wen-Jing","Three-Component Coupling Reaction Triggered by Insertion of Arynes into the S═O Bond of DMSO.","Organic letters","2014","16","14","3768","","10.1021/ol501638x","","","0.71073","MoKα","","0.0807","0.0456","","","0.1204","0.1652","","","","","","0.967","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516780","11.2046","0.0005","5.9421","0.0002","15.3755","0.0007","90","","92.792","0.002","90","","1022.47","0.07","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H19 Br N2 O2 -","- C26 H19 Br N2 O2 -","- C52 H38 Br2 N4 O4 -","2","1","","Yang, Limin; Wang, Fei; Lee, Richmond; Lv, Yunbo; Huang, Kuo-Wei; Zhong, Guofu","Asymmetric NHC-Catalyzed Aza-Diels-Alder Reactions: Highly Enantioselective Route to α-Amino Acid Derivatives and DFT Calculations.","Organic letters","2014","16","15","3872","3875","10.1021/ol501424f","","","0.71073","MoKα","","0.0573","0.0369","","","0.0917","0.1237","","","","","","1.08","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516781","8.324","0.0005","15.6431","0.0012","15.7979","0.0013","90","","94.896","0.001","90","","2049.6","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N2 O2 S -","- C22 H26 N2 O2 S -","- C88 H104 N8 O8 S4 -","4","1","","Jiang, Bo; Tu, Xing-Jun; Wang, Xue; Tu, Shu-Jiang; Li, Guigen","Copper(I)-Catalyzed Multicomponent Reaction Providing a New Access to Fully Substituted Thiophene Derivatives.","Organic letters","2014","16","14","3656","","10.1021/ol501404x","","","0.71073","MoKα","","0.1104","0.0559","","","0.1034","0.1155","","","","","","1.07","","","","has coordinates,has disorder","301776","2025-08-18","14:47:50",""
"1516782","14.552","0.0015","9.7511","0.0011","19.559","0.002","90","","105.499","0.002","90","","2674.5","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 N2 O3 S2 -","- C31 H22 N2 O3 S2 -","- C124 H88 N8 O12 S8 -","4","1","","Jiang, Bo; Tu, Xing-Jun; Wang, Xue; Tu, Shu-Jiang; Li, Guigen","Copper(I)-Catalyzed Multicomponent Reaction Providing a New Access to Fully Substituted Thiophene Derivatives.","Organic letters","2014","16","14","3656","","10.1021/ol501404x","","","0.71073","MoKα","","0.1695","0.0684","","","0.1092","0.1278","","","","","","0.969","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516811","6.9109","0.0011","13.975","0.002","10.4052","0.0016","90","","106.962","0.003","90","","961.2","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H22 Br N O5 -","- C20 H22 Br N O5 -","- C40 H44 Br2 N2 O10 -","2","1","","Gao, Run-Duo; Liu, Chuan; Dai, Li-Xin; Zhang, Wei; You, Shu-Li","Pd(0)-Catalyzed Alkenylation and Allylic Dearomatization Reactions between Nucleophile-Bearing Indoles and Propargyl Carbonate.","Organic letters","2014","16","15","3919","3921","10.1021/ol501704q","","","0.71073","MoKα","","0.0672","0.0567","","","0.1459","0.153","","","","","","1.039","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516832","11.7263","0.0002","13.0863","0.0002","19.3723","0.0003","85.925","0.001","79.517","0.001","76.411","0.001","2840.06","0.08","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H30 O6 -","- C36 H30 O6 -","- C144 H120 O24 -","4","2","","Bruzek, Matthew J.; Anthony, John E.","Synthesis and optical properties of dioxolane-functionalized hexacenes and heptacenes.","Organic letters","2014","16","13","3608","3610","10.1021/ol501373s","","","1.54178","CuKα","","0.0379","0.0354","","","0.0976","0.0997","","","","","","1.055","","","","has coordinates,has disorder","301776","2025-08-18","14:47:50",""
"1516833","6.0156","0.0002","8.3441","0.0003","18.7234","0.0006","95.527","0.003","97.68","0.002","99.574","0.003","911.63","0.05","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H48 O6 -","- C48 H48 O6 -","- C48 H48 O6 -","1","0.5","","Bruzek, Matthew J.; Anthony, John E.","Synthesis and optical properties of dioxolane-functionalized hexacenes and heptacenes.","Organic letters","2014","16","13","3608","3610","10.1021/ol501373s","","","1.54178","CuKα","","0.0572","0.0536","","","0.1518","0.1536","","","","","","1.059","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516834","6.0151","0.0001","17.0075","0.0003","20.7444","0.0003","90","","95.875","0.001","90","","2111.04","0.06","90","0.2","90","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C51 H52 O6 -","- C51 H52 O6 -","- C102 H104 O12 -","2","0.5","","Bruzek, Matthew J.; Anthony, John E.","Synthesis and optical properties of dioxolane-functionalized hexacenes and heptacenes.","Organic letters","2014","16","13","3608","3610","10.1021/ol501373s","","","1.54178","CuKα","","0.0773","0.0726","","","0.1764","0.1802","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516884","18.1584","0.0002","8.4052","0.0001","24.416","0.0003","90","","129.367","0.001","90","","2880.95","0.07","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 B Cl2 F4 N O5 -","- C27 H32 B Cl2 F4 N O5 -","- C108 H128 B4 Cl8 F16 N4 O20 -","4","1","","Gouin, Jérôme; Bürgi, Thomas; Guénée, Laure; Lacour, Jérôme","Convergent Synthesis, Resolution, and Chiroptical Properties of Dimethoxychromenoacridinium Ions.","Organic letters","2014","16","14","3800","","10.1021/ol501692r","","","1.54184","CuKα","","0.0549","0.0498","","","0.1399","0.1456","","","","","","1.005","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516965","9.5166","0.0009","15.4363","0.0015","15.1805","0.0015","90","","96.671","0.002","90","","2214.9","0.4","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 N2 -","- C28 H24 N2 -","- C112 H96 N8 -","4","1","","Mo, Dong-Liang; Pecak, Wiktoria H.; Zhao, Meng; Wink, Donald J.; Anderson, Laura L.","Synthesis of N-Styrenyl Amidines from α,β-Unsaturated Nitrones and Isocyanates through CO2 Elimination and Styrenyl Migration.","Organic letters","2014","16","14","3696","","10.1021/ol501503a","","","0.71073","MoKα","","0.0757","0.0416","","","0.1238","0.1499","","","","","","0.931","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516966","9.3932","0.0006","18.3398","0.0015","23.3368","0.0018","90","","90","","90","","4020.2","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H22 N2 O -","- C23 H22 N2 O -","- C184 H176 N16 O8 -","8","1","","Das, Arindam; Alam, Rauful; Eriksson, Lars; Szabó, Kálmán J","Stereocontrol in synthesis of homoallylic amines. Syn selective direct allylation of hydrazones with allylboronic acids.","Organic letters","2014","16","14","3808","3811","10.1021/ol501699x","","","0.71073","MoKα","","0.1933","0.0969","","","0.1636","0.2021","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516967","9.148","0.0003","10.4716","0.0004","10.7014","0.0004","102.932","0.003","112.881","0.003","94.888","0.003","903.42","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 N2 O -","- C20 H24 N2 O -","- C40 H48 N4 O2 -","2","1","","Das, Arindam; Alam, Rauful; Eriksson, Lars; Szabó, Kálmán J","Stereocontrol in synthesis of homoallylic amines. Syn selective direct allylation of hydrazones with allylboronic acids.","Organic letters","2014","16","14","3808","3811","10.1021/ol501699x","","","0.71073","MoKα","","0.0507","0.0447","","","0.1165","0.121","","","","","","1.06","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516968","8.0129","0.0019","8.8764","0.0018","14.284","0.003","75.661","0.009","88.56","0.011","73.636","0.007","943.3","0.4","173.15","","173.15","","","","","","","","","4","P 1","P 1","1","","","","- C23 H19 Br O4 -","- C23 H19 Br O4 -","- C46 H38 Br2 O8 -","2","2","","Li, Lijun; Su, Cunxiang; Liu, Xiaoqin; Tian, Hua; Shi, Yian","Catalytic Asymmetric Intermolecular Bromoesterification of Unfunctionalized Olefins.","Organic letters","2014","16","14","3728","","10.1021/ol501542r","","","0.71073","MoKα","","0.0563","0.0496","","","0.0966","0.1017","","","","","","1.075","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516969","10.488","0.003","8.97","0.002","10.599","0.003","90","","107.296","0.003","90","","952","0.4","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H11 Br O -","- C10 H11 Br O -","- C40 H44 Br4 O4 -","4","2","","Li, Lijun; Su, Cunxiang; Liu, Xiaoqin; Tian, Hua; Shi, Yian","Catalytic Asymmetric Intermolecular Bromoesterification of Unfunctionalized Olefins.","Organic letters","2014","16","14","3728","","10.1021/ol501542r","","","0.71073","MoKα","","0.0395","0.0368","","","0.0811","0.0831","","","","","","1.081","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516970","11.041","0.002","6.6793","0.0013","12.193","0.002","90","","102.07","0.03","90","","879.3","0.3","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H19 Br O2 -","- C22 H19 Br O2 -","- C44 H38 Br2 O4 -","2","1","","Li, Lijun; Su, Cunxiang; Liu, Xiaoqin; Tian, Hua; Shi, Yian","Catalytic Asymmetric Intermolecular Bromoesterification of Unfunctionalized Olefins.","Organic letters","2014","16","14","3728","","10.1021/ol501542r","","","0.71073","MoKα","","0.0537","0.0494","","","0.1163","0.12","","","","","","1.096","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516971","20.888","0.012","7.515","0.004","14.089","0.008","90","","129.736","0.006","90","","1700.7","1.7","173.15","","173.15","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H17 Br O2 -","- C21 H17 Br O2 -","- C84 H68 Br4 O8 -","4","1","","Li, Lijun; Su, Cunxiang; Liu, Xiaoqin; Tian, Hua; Shi, Yian","Catalytic Asymmetric Intermolecular Bromoesterification of Unfunctionalized Olefins.","Organic letters","2014","16","14","3728","","10.1021/ol501542r","","","0.71073","MoKα","","0.0555","0.0514","","","0.1128","0.1162","","","","","","1.062","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1516972","10.027","0.003","10.035","0.003","10.325","0.004","113.27","0.002","114.37","0.002","96.32","0.002","821.8","0.5","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H18 Br N O2 S -","- C17 H18 Br N O2 S -","- C34 H36 Br2 N2 O4 S2 -","2","1","","Li, Lijun; Su, Cunxiang; Liu, Xiaoqin; Tian, Hua; Shi, Yian","Catalytic Asymmetric Intermolecular Bromoesterification of Unfunctionalized Olefins.","Organic letters","2014","16","14","3728","","10.1021/ol501542r","","","0.71073","MoKα","","0.0414","0.0384","","","0.0913","0.0935","","","","","","1.085","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517020","11.5485","0.0003","16.5802","0.0004","20.5991","0.0004","90","","90","","90","","3944.24","0.16","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H26 N2 O4 -","- C22 H26 N2 O4 -","- C176 H208 N16 O32 -","8","1","","Schurgers, Ben; Brigou, Ben; Urbanczyk-Lipkowska, Zofia; Tourwé, Dirk; Ballet, Steven; De Proft, Frank; Van Lommen, Guy; Verniest, Guido","Synthesis of Fused 3-Aminoazepinones via Trapping of a New Class of Cyclic Seven-Membered Allenamides with Furan.","Organic letters","2014","16","14","3712","3715","10.1021/ol501529z","","","1.54178","CuKα","","0.0417","0.0391","","","0.1019","0.1041","","","","","","1.038","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517021","9.918","0.0004","26.3168","0.0009","7.8796","0.0003","90","","97.924","0.002","90","","2037.02","0.13","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N2 O4 -","- C22 H26 N2 O4 -","- C88 H104 N8 O16 -","4","1","","Schurgers, Ben; Brigou, Ben; Urbanczyk-Lipkowska, Zofia; Tourwé, Dirk; Ballet, Steven; De Proft, Frank; Van Lommen, Guy; Verniest, Guido","Synthesis of Fused 3-Aminoazepinones via Trapping of a New Class of Cyclic Seven-Membered Allenamides with Furan.","Organic letters","2014","16","14","3712","3715","10.1021/ol501529z","","","1.54178","CuKα","","0.051","0.0438","","","0.1193","0.1273","","","","","","1.032","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517022","25.9774","0.0015","25.2649","0.0015","11.2161","0.0006","90","","113.278","0.002","90","","6762.1","0.7","122","2","122","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H42 Au P Si -","- C38 H42 Au P Si -","- C304 H336 Au8 P8 Si8 -","8","1","","Mazzanti, Virginia; Jiang, Huixin; Gotfredsen, Henrik; Morsing, Thorbjørn J; Parker, Christian R.; Nielsen, Mogens Brøndsted","The Gilded Edge in Acetylenic Scaffolding: Pd-Catalyzed Cross-Coupling Reactions of Phosphine-Gold(I) Oligoynyl Complexes.","Organic letters","2014","16","14","3736","","10.1021/ol5015587","","","0.71073","MoKα","","0.0362","0.0249","","","0.0594","0.0663","","","","","","1.0753","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517023","13.3652","0.0006","13.4905","0.0007","17.0362","0.0008","83.516","0.002","86.041","0.002","64.505","0.002","2754.1","0.2","122","2","122","2","","","","","","","","7","P -1","-P 1","2","","","","- C59.7 H40.71 Au2 Cl3.4 N2 O4 P2 -","- C59.7 H40.7098 Au2 Cl3.4 N2 O4 P2 -","- C119.4 H81.4196 Au4 Cl6.8 N4 O8 P4 -","2","1","","Mazzanti, Virginia; Jiang, Huixin; Gotfredsen, Henrik; Morsing, Thorbjørn J; Parker, Christian R.; Nielsen, Mogens Brøndsted","The Gilded Edge in Acetylenic Scaffolding: Pd-Catalyzed Cross-Coupling Reactions of Phosphine-Gold(I) Oligoynyl Complexes.","Organic letters","2014","16","14","3736","","10.1021/ol5015587","","","0.71073","MoKα","","0.0687","0.0387","","","0.0777","0.0889","","","","","","1.0683","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517072","5.9388","0.0012","12.164","0.002","21.118","0.004","90","","97.72","0.03","90","","1511.7","0.5","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 -","- C20 H22 -","- C80 H88 -","4","1","","Peng, Jing; Chen, Chao; Chen, Junjie; Su, Xiang; Xi, Chanjuan; Chen, Hui","Cu-Catalyzed Arylcarbocyclization of Alkynes with Diaryliodonium Salts through C-C Bond Formation on Inert C(sp3)-H Bond.","Organic letters","2014","16","14","3776","","10.1021/ol501655g","","","0.71073","MoKα","","0.0871","0.0725","","","0.2191","0.2614","","","","","","1.139","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517073","7.7819","0.0016","6.151","0.0012","18.029","0.004","90","","97.73","0.03","90","","855.1","0.3","293","2","293","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C23 H26 -","- C23 H26 -","- C46 H52 -","2","1","","Peng, Jing; Chen, Chao; Chen, Junjie; Su, Xiang; Xi, Chanjuan; Chen, Hui","Cu-Catalyzed Arylcarbocyclization of Alkynes with Diaryliodonium Salts through C-C Bond Formation on Inert C(sp3)-H Bond.","Organic letters","2014","16","14","3776","","10.1021/ol501655g","","","0.71073","MoKα","","0.0474","0.0461","","","0.1166","0.1181","","","","","","1.047","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517074","5.606","0.003","8.951","0.007","17.058","0.011","81.48","0.05","82.58","0.05","77.41","0.04","822","1","295","2","295","2","","","","","","","","2","P -1","-P 1","2","","","","- C23 H20 -","- C23 H20 -","- C46 H40 -","2","1","","Peng, Jing; Chen, Chao; Chen, Junjie; Su, Xiang; Xi, Chanjuan; Chen, Hui","Cu-Catalyzed Arylcarbocyclization of Alkynes with Diaryliodonium Salts through C-C Bond Formation on Inert C(sp3)-H Bond.","Organic letters","2014","16","14","3776","","10.1021/ol501655g","","","0.71073","MoKα","","0.172","0.1114","","","0.2341","0.247","","","","","","1.886","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517075","15.2","0.005","9.19","0.005","21.788","0.005","90","","108.912","0.005","90","","2879.2","1.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H31 N O8 -","- C32 H31 N O8 -","- C128 H124 N4 O32 -","4","1","","Talukdar, Ranadeep; Tiwari, Deo Prakash; Saha, Amrita; Ghorai, Manas K.","Diastereoselective Synthesis of Functionalized Tetrahydrocarbazoles via a Domino-Ring Opening-Cyclization of Donor-Acceptor Cyclopropanes with Substituted 2-Vinylindoles.","Organic letters","2014","16","15","3954","3957","10.1021/ol501763n","","","0.71069","MoKα","","0.0974","0.0537","","","0.1202","0.1471","","","","","","1.011","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517076","8.398","0.005","23.088","0.005","12.083","0.005","90","0.005","107.75","0.005","90","0.005","2231.3","1.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 N2 O7 -","- C25 H26 N2 O7 -","- C100 H104 N8 O28 -","4","1","","Talukdar, Ranadeep; Tiwari, Deo Prakash; Saha, Amrita; Ghorai, Manas K.","Diastereoselective Synthesis of Functionalized Tetrahydrocarbazoles via a Domino-Ring Opening-Cyclization of Donor-Acceptor Cyclopropanes with Substituted 2-Vinylindoles.","Organic letters","2014","16","15","3954","3957","10.1021/ol501763n","","","0.71069","MoKα","","0.0807","0.0433","","","0.0892","0.1024","","","","","","1.03","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517120","6.6803","0.0004","10.1921","0.0006","16.8279","0.001","90","","90","","90","","1145.75","0.12","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 Br N O -","- C13 H12 Br N O -","- C52 H48 Br4 N4 O4 -","4","1","","Du, Xiang-Wei; Ghosh, Avipsa; Stanley, Levi M.","Enantioselective synthesis of polycyclic nitrogen heterocycles by rh-catalyzed alkene hydroacylation: constructing six-membered rings in the absence of chelation assistance.","Organic letters","2014","16","15","4036","4039","10.1021/ol501869s","","","0.71073","MoKα","","0.0262","0.022","","","0.0497","0.0506","","","","","","1.022","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517176","12.3141","0.0009","25.4743","0.0019","14.8041","0.0009","90","","94.832","0.005","90","","4627.4","0.6","294.67","0.13","294.67","0.13","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Br F3 N2 O2 S -","- C22 H20 Br F3 N2 O2 S -","- C176 H160 Br8 F24 N16 O16 S8 -","8","2","","He, Yu-Tao; Li, Lian-Hua; Zhou, Zhao-Zhao; Hua, Hui-Liang; Qiu, Yi-Feng; Liu, Xue-Yuan; Liang, Yong-Min","Copper-catalyzed three-component cyanotrifluoromethylation/azidotrifluoromethylation and carbocyclization of 1,6-enynes.","Organic letters","2014","16","15","3896","3899","10.1021/ol501574f","","","0.71","MoKα","","0.2802","0.0946","","","0.2256","0.3269","","","","","","0.994","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517177","16.421","0.002","8.6118","0.0012","16.299","0.002","90","","104.901","0.015","90","","2227.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 F3 N4 O3 S -","- C21 H19 F3 N4 O3 S -","- C84 H76 F12 N16 O12 S4 -","4","1","","He, Yu-Tao; Li, Lian-Hua; Zhou, Zhao-Zhao; Hua, Hui-Liang; Qiu, Yi-Feng; Liu, Xue-Yuan; Liang, Yong-Min","Copper-catalyzed three-component cyanotrifluoromethylation/azidotrifluoromethylation and carbocyclization of 1,6-enynes.","Organic letters","2014","16","15","3896","3899","10.1021/ol501574f","","","1.54184","CuKα","","0.2052","0.1296","","","0.3403","0.4317","","","","","","1.084","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517178","10.0479","0.0008","10.4624","0.0008","10.6624","0.0008","93.078","0.004","90.52","0.004","118.662","0.004","981.34","0.14","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C22 H19 Cl N2 O2 S -","- C22 H19 Cl N2 O2 S -","- C44 H38 Cl2 N4 O4 S2 -","2","2","","Wang, Hui; Li, Yi; Xu, Ming-Hua","Rhodium-catalyzed highly enantioselective arylation of cyclic diketimines: efficient synthesis of chiral tetrasubstituted 1,2,5-thiadiazoline 1,1-dioxides.","Organic letters","2014","16","15","3962","3965","10.1021/ol501770q","","","0.71073","MoKα","","0.065","0.042","","","0.0851","0.1094","","","","","","0.96","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517179","6.859","0.0005","7.8956","0.0006","18.6936","0.0013","90","","90","","90","","1012.37","0.13","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Cl O2 -","- C11 H11 Cl O2 -","- C44 H44 Cl4 O8 -","4","1","","Zhou, Lin; Liu, Xiaohua; Ji, Jie; Zhang, Yuheng; Wu, Wangbin; Liu, Yangbin; Lin, Lili; Feng, Xiaoming","Regio- and enantioselective baeyer-villiger oxidation: kinetic resolution of racemic 2-substituted cyclopentanones.","Organic letters","2014","16","15","3938","3941","10.1021/ol501737a","","","0.71073","MoKα","","0.0613","0.0427","","","0.0829","0.094","","","","","","1.028","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517181","9.5929","0.0008","13.2942","0.0011","18.7485","0.0014","90","","92.399","0.004","90","","2388.9","0.3","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H30 N8 O6 -","- C24 H30 N8 O6 -","- C96 H120 N32 O24 -","4","1","","Wang, Qi-Qiang; Day, Victor W.; Bowman-James, Kristin","Macrocyclic Influences in CO2 Uptake and Stabilization.","Organic letters","2014","16","15","3982","3985","10.1021/ol501812u","","","1.54178","CuKα","","0.0311","0.0275","","","0.0653","0.0667","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517187","13.511","0.003","33.064","0.007","11.248","0.002","90","","107.86","0.03","90","","4782.6","1.9","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H52 N10 O4 -","- C42 H52 N10 O4 -","- C168 H208 N40 O16 -","4","1","","Shang, Jie; Si, Wen; Zhao, Wei; Che, Yanke; Hou, Jun-Li; Jiang, Hua","Preorganized aryltriazole foldamers as effective transmembrane transporters for chloride anion.","Organic letters","2014","16","15","4008","4011","10.1021/ol501772v","","","0.71073","MoKα","","0.1289","0.1038","","","0.2996","0.3286","","","","","","1.135","","","","has coordinates,has disorder","301776","2025-08-18","14:47:50",""
"1517193","34.7416","0.0005","11.7295","0.0002","7.4495","0.0001","90","","90","","90","","3035.68","0.08","291","2","291","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C31 H36 Cl N O6 S2 -","- C31 H36 Cl N O6 S2 -","- C124 H144 Cl4 N4 O24 S8 -","4","1","","Gu, Jing; Ma, Chao; Li, Qing-Zhu; Du, Wei; Chen, Ying-Chun","β,γ-Regioselective Inverse-Electron-Demand Aza-Diels-Alder Reactions with α,β-Unsaturated Aldehydes via Dienamine Catalysis.","Organic letters","2014","16","15","3986","3989","10.1021/ol501814p","","","1.54184","CuKα","","0.0487","0.0471","","","0.1273","0.1293","","","","","","1.03","","","","has coordinates,has disorder","301776","2025-08-18","14:47:50",""
"1517201","8.3852","0.0006","14.3202","0.0012","11.2113","0.0007","90","","105.908","0.004","90","","1294.67","0.17","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N2 O2 S -","- C13 H16 N2 O2 S -","- C52 H64 N8 O8 S4 -","4","1","","Chen, Bo; Scott, Mark E.; Adams, Bruce A.; Hrovat, David A.; Borden, Weston Thatcher; Lautens, Mark","Computational and (13)C Investigations of the Diazadienes and Oxazadienes Formed via the Rearrangement of Methylenecyclopropyl Hydrazones and Oximes.","Organic letters","2014","16","15","3930","3933","10.1021/ol501710m","","","0.71073","MoKα","","0.1265","0.0612","","","0.1388","0.1802","","","","","","1.026","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517203","11.20234","0.00015","14.9864","0.0003","14.7402","0.0003","90","","107.993","0.0016","90","","2353.6","0.08","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C53 H46 Cl4 N2 O P2 Ru -","- C53 H46 Cl4 N2 O P2 Ru -","- C106 H92 Cl8 N4 O2 P4 Ru2 -","2","1","","Chen, Xiangning; Zhou, Han; Zhang, Kunyu; Li, Jiawen; Huang, Hanmin","Highly enantioselective hydrogenation of steric hindrance enones catalyzed by ru complexes with chiral diamine and achiral phosphane.","Organic letters","2014","16","15","3912","3915","10.1021/ol501648a","","","1.5418","CuKα","","0.032","0.0314","","","0.081","0.082","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517204","8.3324","0.0017","11.148","0.002","14.586","0.003","109.23","0.03","99.14","0.03","103.7","0.03","1200.8","0.6","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H30 N4 O3 -","- C29 H30 N4 O3 -","- C58 H60 N8 O6 -","2","1","","Wang, Kai-Bo; Di, Ying-Tong; Bao, Yu; Yuan, Chun-Mao; Chen, Gang; Li, Da-Hong; Bai, Jiao; He, Hong-Ping; Hao, Xiao-Jiang; Pei, Yue-Hu; Jing, Yong-Kui; Li, Zhan-Lin; Hua, Hui-Ming","Peganumine A, a β-Carboline Dimer with a New Octacyclic Scaffold from Peganum harmala.","Organic letters","2014","16","15","4028","4031","10.1021/ol501856v","","","0.71073","MoKα","","0.0693","0.0447","","","0.1004","0.1126","","","","","","0.977","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517205","9.615","0.007","10.042","0.008","10.834","0.008","87.159","0.013","87.752","0.013","73.682","0.012","1002.3","1.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C44 H50 N2 O6 -","2","1","","Yan, Zhi-Ming; Wu, Na; Liang, Dong; Wang, Heng-Shan; Pan, Ying-Ming","One-Pot Stepwise Approach to β-Enaminoketoesters through ""Masked"" 1,3-Aza-Dipoles.","Organic letters","2014","16","15","4048","4051","10.1021/ol501930f","","","0.71073","MoKα","","0.101","0.0526","","","0.1338","0.1595","","","","","","1.009","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517217","14.0236","0.0014","6.7864","0.0007","19.674","0.002","90","","104.499","0.007","90","","1812.7","0.3","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N2 O3 -","- C22 H18 N2 O3 -","- C88 H72 N8 O12 -","4","1","","Nakamura, Itaru; Onuma, Toshiki; Kanazawa, Ryo; Nishigai, Yuki; Terada, Masahiro","Efficient Synthesis of N-Alkylated α,β-Unsaturated Ketonitrones via Cu-Catalyzed Rearrangement.","Organic letters","2014","16","16","4198","4200","10.1021/ol501889g","","","0.71075","MoKα","","","0.0381","","","","0.1003","","","","","","1.065","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517218","6.8426","0.0011","12.785","0.002","29.768","0.005","90","","90","","90","","2604.2","0.7","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C120 H144 O24 -","8","2","","Chuang, Hsiang-Yu; Isobe, Minoru","Novel synthesis of right segment of solanoeclepin a.","Organic letters","2014","16","16","4166","4169","10.1021/ol501858w","","","0.71073","MoKα","","0.0781","0.0522","","","0.1119","0.1241","","","","","","1.003","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517219","7.2566","0.0004","10.5786","0.0006","19.4869","0.0008","90","","90","","90","","1495.91","0.13","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O5 -","- C15 H22 O5 -","- C60 H88 O20 -","4","1","","Chuang, Hsiang-Yu; Isobe, Minoru","Novel synthesis of right segment of solanoeclepin a.","Organic letters","2014","16","16","4166","4169","10.1021/ol501858w","","","0.71073","MoKα","","0.051","0.0413","","","0.1061","0.1238","","","","","","1.144","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517222","17.967","0.005","6.0336","0.0016","14.479","0.004","90","","96.147","0.008","90","","1560.6","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 O2 Se3 -","- C16 H10 O2 Se3 -","- C64 H40 O8 Se12 -","4","1","","Maity, Pintu; Kundu, Debasish; Roy, Rajdip; Ranu, Brindaban C.","A direct synthesis of selenophenes by cu-catalyzed one-pot addition of a selenium moiety to (e,e)-1,3-dienyl bromides and subsequent nucleophilic cyclization.","Organic letters","2014","16","16","4122","4125","10.1021/ol501820e","","","0.71073","MoKα","","0.0747","0.0404","","","0.1094","0.1369","","","","","","1.016","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517228","10.1386","0.0011","14.3557","0.0017","14.5248","0.0016","90","","90","","90","","2114","0.4","103","2","103","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Cl2 N O2 Pd S -","- C20 H23 Cl2 N O2 Pd S -","- C80 H92 Cl8 N4 O8 Pd4 S4 -","4","1","","Kondo, Hiroki; Yu, Feng; Yamaguchi, Junichiro; Liu, Guosheng; Itami, Kenichiro","Branch-Selective Allylic C-H Carboxylation of Terminal Alkenes by Pd/sox Catalyst.","Organic letters","2014","16","16","4212","4215","10.1021/ol5019135","","","0.71075","MoKα","","0.0258","0.0239","","","0.0479","0.0497","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517229","17.4587","0.0006","17.4587","0.0006","10.7319","0.0004","90","","90","","120","","2832.9","0.17","298","2","298","2","","","","","","","as described","3","P 32 2 1","P 32 2""","154","","","","- C20 H32 O3 -","- C20 H32 O3 -","- C120 H192 O18 -","6","1","","Clark, J. Stephen; Delion, Laetitia; Farrugia, Louis J.","Total synthesis of the purported structure of sclerophytin f.","Organic letters","2014","16","16","4300","4303","10.1021/ol5020152","","x-ray","0.71073","MoKα","","0.0764","0.0509","","","0.1122","0.1192","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517230","8.1038","0.0002","13.1776","0.0003","16.2542","0.0004","71.565","0.001","85.809","0.001","75.309","0.001","1592.81","0.07","100","2","100","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C18 H26 O4 -","- C18 H26 O4 -","- C72 H104 O16 -","4","2","","Clark, J. Stephen; Delion, Laetitia; Farrugia, Louis J.","Total synthesis of the purported structure of sclerophytin f.","Organic letters","2014","16","16","4300","4303","10.1021/ol5020152","","x-ray","0.71073","MoKα","","0.0426","0.0358","","","0.102","0.1055","","","","","","1.026","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517231","5.624","0.003","16.55","0.01","19.16","0.012","90","","90","","90","","1783.4","1.8","100","2","100","2","","","","","","","as described","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O4 -","- C20 H32 O4 -","- C80 H128 O16 -","4","1","","Clark, J. Stephen; Delion, Laetitia; Farrugia, Louis J.","Total synthesis of the purported structure of sclerophytin f.","Organic letters","2014","16","16","4300","4303","10.1021/ol5020152","","x-ray","0.71073","MoKα","","0.0701","0.044","","","0.0941","0.1027","","","","","","1.014","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517232","5.526","0.0009","11.111","0.002","13.716","0.002","90","","98.463","0.009","90","","833","0.2","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H23 N O2 S -","- C16 H23 N O2 S -","- C32 H46 N2 O4 S2 -","2","1","","Su, Lin; Zhu, Ting-Shun; Xu, Ming-Hua","Indium-Mediated Asymmetric Intramolecular Allenylation of N-tert-Butanesulfinyl Imines: Efficient and Practical Access to Chiral 3-Allenyl-4-aminochromanes.","Organic letters","2014","16","16","4118","4121","10.1021/ol501815e","","","0.71073","MoKα","","0.0435","0.0367","","","0.0971","0.101","","","","","","1.023","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517233","7.176","0.002","10.859","0.003","12.059","0.004","100.648","0.005","106.125","0.005","95.565","0.005","876.2","0.5","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C38 H42 N2 O6 S2 -","2","2","","Su, Lin; Zhu, Ting-Shun; Xu, Ming-Hua","Indium-Mediated Asymmetric Intramolecular Allenylation of N-tert-Butanesulfinyl Imines: Efficient and Practical Access to Chiral 3-Allenyl-4-aminochromanes.","Organic letters","2014","16","16","4118","4121","10.1021/ol501815e","","","0.71073","MoKα","","0.039","0.0344","","","0.0828","0.085","","","","","","1.269","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517234","19.1174","0.0006","6.6815","0.0002","13.5889","0.0003","90","","110.988","0.003","90","","1620.59","0.09","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H17 N O2 S -","- C15 H21 N O3 S -","- C60 H84 N4 O12 S4 -","4","1","","Su, Lin; Zhu, Ting-Shun; Xu, Ming-Hua","Indium-Mediated Asymmetric Intramolecular Allenylation of N-tert-Butanesulfinyl Imines: Efficient and Practical Access to Chiral 3-Allenyl-4-aminochromanes.","Organic letters","2014","16","16","4118","4121","10.1021/ol501815e","","","0.71073","MoKα","","0.0425","0.036","","","0.0872","0.0917","","","","","","1.263","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517235","11.8178","0.0008","6.1413","0.0004","12.0958","0.0008","90","","95.858","0.005","90","","873.29","0.1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C38 H42 N2 O6 S2 -","2","1","","Su, Lin; Zhu, Ting-Shun; Xu, Ming-Hua","Indium-Mediated Asymmetric Intramolecular Allenylation of N-tert-Butanesulfinyl Imines: Efficient and Practical Access to Chiral 3-Allenyl-4-aminochromanes.","Organic letters","2014","16","16","4118","4121","10.1021/ol501815e","","","0.71073","MoKα","","0.0657","0.0422","","","0.0855","0.0939","","","","","","1.08","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517236","6.9386","0.0001","15.1121","0.0002","23.6998","0.0003","90","","90","","90","","2485.09","0.06","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C112 H104 N8 O40 -","8","1","","Logan, Angus W. J.; Sprague, Simon J.; Foster, Robert W.; Marx, Léo B; Garzya, Vincenzo; Hallside, Michal S.; Thompson, Amber L.; Burton, Jonathan W.","Diastereoselective synthesis of fused lactone-pyrrolidinones; application to a formal synthesis of (-)-salinosporamide a.","Organic letters","2014","16","16","4078","4081","10.1021/ol501662t","","","0.71073","MoKα","","0.0482","0.0358","","0.0788","0.0663","0.0788","","","","","","0.9815","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517237","6.2769","0.0001","19.0465","0.0002","20.3494","0.0004","90","","90","","90","","2432.83","0.07","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H35 N O6 -","- C26 H35 N O6 -","- C104 H140 N4 O24 -","4","1","","Logan, Angus W. J.; Sprague, Simon J.; Foster, Robert W.; Marx, Léo B; Garzya, Vincenzo; Hallside, Michal S.; Thompson, Amber L.; Burton, Jonathan W.","Diastereoselective synthesis of fused lactone-pyrrolidinones; application to a formal synthesis of (-)-salinosporamide a.","Organic letters","2014","16","16","4078","4081","10.1021/ol501662t","","","0.6889","Synchrotron","","0.0425","0.0383","","0.0999","0.0921","0.0999","","","","","","0.9344","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517247","9.6514","0.0005","13.5727","0.0008","28.8023","0.0014","90","","99.6158","0.0017","90","","3720","0.3","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C168 H184 N8 O32 -","8","4","","Azuma, Takumi; Murata, Akihiro; Kobayashi, Yusuke; Inokuma, Tsubasa; Takemoto, Yoshiji","A Dual Arylboronic Acid-Aminothiourea Catalytic System for the Asymmetric Intramolecular Hetero-Michael Reaction of α,β-Unsaturated Carboxylic Acids.","Organic letters","2014","16","16","4256","4259","10.1021/ol501954r","","","0.71075","MoKα","","","0.0554","","","","0.1448","","","","","","1.079","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517248","19.225","0.013","19.225","0.013","10.568","0.009","90","","90","","90","","3906","5","566","2","566","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C10 H12 O4 -","- C10 H12 O4 -","- C160 H192 O64 -","16","1","","Kasare, Sanghratna; Bankar, Siddheshwar K.; Ramasastry, S. S. V.","Expeditious Metal-Free Access to Functionalized Polycyclic Acetals under Mild Aqueous Conditions.","Organic letters","2014","16","16","4284","4287","10.1021/ol501986f","","","0.71073","MoKα","","0.1103","0.0654","","","0.1547","0.184","","","","","","1.055","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517249","10.478","0.004","15.304","0.006","9.535","0.003","90","","104.6","0.02","90","","1479.6","0.9","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C15 H22 O5 -","- C15 H22 O5 -","- C60 H88 O20 -","4","1","","Kasare, Sanghratna; Bankar, Siddheshwar K.; Ramasastry, S. S. V.","Expeditious Metal-Free Access to Functionalized Polycyclic Acetals under Mild Aqueous Conditions.","Organic letters","2014","16","16","4284","4287","10.1021/ol501986f","","","0.71073","MoKα","","0.0326","0.0303","","","0.0956","0.0996","","","","","","0.85","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517250","6.8744","0.0002","14.0493","0.0005","20.5936","0.0008","90","","90.272","0.002","90","","1988.92","0.12","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 Cl2 N O -","- C25 H17 Cl2 N O -","- C100 H68 Cl8 N4 O4 -","4","1","","Mothe, Srinivasa Reddy; Novianti, Maria Laurentia; Ayers, Benjamin James; Chan, Philip Wai Hong","Silver-Catalyzed Tandem Hydroamination/Hydroarylation of 1-(2-Allylamino)phenyl-4-hydroxy-but-2-yn-1-ones to 1'-Allylspiro[indene-1,2'-indolin]-3'-ones.","Organic letters","2014","16","16","4110","4113","10.1021/ol501809p","","","0.71073","MoKα","","0.0652","0.0458","","","0.1226","0.1442","","","","","","1.104","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517251","11.5674","0.0008","18.339","0.0011","7.6496","0.0006","90","","108.4","0.008","90","","1539.8","0.2","296","4","296","4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Xiao, Tiebo; Li, Linyong; Lin, Guoliang; Mao, Zong-Wan; Zhou, Lei","Metal-free visible-light induced cross-dehydrogenative coupling of tertiary amines with diazo compounds.","Organic letters","2014","16","16","4232","4235","10.1021/ol501933h","","","1.54184","CuKα","","0.0582","0.0444","","","0.1035","0.1184","","","","","","1.0729","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517252","10.4739","0.0008","14.9845","0.0009","10.5112","0.0009","90","","96.966","0.007","90","","1637.5","0.2","298","","298.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Cl N O2 -","- C19 H18 Cl N O2 -","- C76 H72 Cl4 N4 O8 -","4","1","","Xiao, Tiebo; Li, Linyong; Lin, Guoliang; Mao, Zong-Wan; Zhou, Lei","Metal-free visible-light induced cross-dehydrogenative coupling of tertiary amines with diazo compounds.","Organic letters","2014","16","16","4232","4235","10.1021/ol501933h","","","1.54184","CuKα","","0.0705","0.0614","","","0.1508","0.1654","","","","","","1.0632","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517253","25.7585","0.0006","10.3249","0.0002","9.5675","0.0002","90","","90","","90","","2544.51","0.09","293","2","293","2","","","","","","","synthesis as described","4","P c a 21","P 2c -2ac","29","","","","- C29 H33 N3 O2 -","- C29 H33 N3 O2 -","- C116 H132 N12 O8 -","4","1","","Galvez, Jaime; Castillo, Juan-Carlos; Quiroga, Jairo; Rajzmann, Michel; Rodriguez, Jean; Coquerel, Yoann","Divergent Chemo-, Regio-, and Diastereoselective Normal Electron-Demand Povarov-Type Reactions with α-Oxo-ketene Dienophiles.","Organic letters","2014","16","16","4126","4129","10.1021/ol5018245","","x-ray","0.71073","MoKα","","0.1115","0.0609","","","0.1398","0.1818","","","","","","1.089","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517254","11.1623","0.0003","13.076","0.0004","27.158","0.001","90","","90","","90","","3963.9","0.2","293","2","293","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C22 H25 N3 O2 -","- C22 H25 N3 O2 -","- C176 H200 N24 O16 -","8","1","","Galvez, Jaime; Castillo, Juan-Carlos; Quiroga, Jairo; Rajzmann, Michel; Rodriguez, Jean; Coquerel, Yoann","Divergent Chemo-, Regio-, and Diastereoselective Normal Electron-Demand Povarov-Type Reactions with α-Oxo-ketene Dienophiles.","Organic letters","2014","16","16","4126","4129","10.1021/ol5018245","","x-ray","0.71073","MoKα","","0.1473","0.0635","","","0.1609","0.2214","","","","","","1.026","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517265","14.3442","0.0001","14.3442","0.0001","26.2596","0.0003","90","","90","","90","","5403.07","0.08","140","2","140","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C30 H38 O6 -","- C30 H38 O6 -","- C240 H304 O48 -","8","1","","Yang, Yong-Xun; Shan, Lei; Liu, Qing-Xin; Shen, Yun-Heng; Zhang, Jian-Ping; Ye, Ji; Xu, Xi-Ke; Li, Hui-Liang; Zhang, Wei-Dong","Carpedilactones A-D, Four New Isomeric Sesquiterpene Lactone Dimers with Potent Cytotoxicity from Carpesium faberi.","Organic letters","2014","16","16","4216","4219","10.1021/ol501923k","","","1.54178","CuKα","","0.0558","0.0518","","","0.1485","0.1522","","","","","","1.133","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517266","11.0003","0.0002","11.3149","0.0002","11.9224","0.0002","88.459","0.001","75.604","0.001","82.956","0.001","1426.49","0.04","140","2","140","2","","","","","","","","4","P 1","P 1","1","","","","- C65 H87 N O14 -","- C65 H87 N O14 -","- C65 H87 N O14 -","1","1","","Yang, Yong-Xun; Shan, Lei; Liu, Qing-Xin; Shen, Yun-Heng; Zhang, Jian-Ping; Ye, Ji; Xu, Xi-Ke; Li, Hui-Liang; Zhang, Wei-Dong","Carpedilactones A-D, Four New Isomeric Sesquiterpene Lactone Dimers with Potent Cytotoxicity from Carpesium faberi.","Organic letters","2014","16","16","4216","4219","10.1021/ol501923k","","","1.54178","CuKα","","0.0439","0.0432","","","0.1166","0.1195","","","","","","1.041","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517267","8.4688","0.0001","9.616","0.0002","32.4284","0.0005","90","","90","","90","","2640.84","0.08","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 O6 -","- C30 H38 O6 -","- C120 H152 O24 -","4","1","","Yang, Yong-Xun; Shan, Lei; Liu, Qing-Xin; Shen, Yun-Heng; Zhang, Jian-Ping; Ye, Ji; Xu, Xi-Ke; Li, Hui-Liang; Zhang, Wei-Dong","Carpedilactones A-D, Four New Isomeric Sesquiterpene Lactone Dimers with Potent Cytotoxicity from Carpesium faberi.","Organic letters","2014","16","16","4216","4219","10.1021/ol501923k","","","1.54178","CuKα","","0.0373","0.0366","","","0.0934","0.0941","","","","","","1.023","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517268","11.9866","0.0001","7.7683","0.0001","14.6557","0.0002","90","","110.8","","90","","1275.73","0.03","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H40 O7 -","- C30 H40 O7 -","- C60 H80 O14 -","2","1","","Yang, Yong-Xun; Shan, Lei; Liu, Qing-Xin; Shen, Yun-Heng; Zhang, Jian-Ping; Ye, Ji; Xu, Xi-Ke; Li, Hui-Liang; Zhang, Wei-Dong","Carpedilactones A-D, Four New Isomeric Sesquiterpene Lactone Dimers with Potent Cytotoxicity from Carpesium faberi.","Organic letters","2014","16","16","4216","4219","10.1021/ol501923k","","","1.54178","CuKα","","0.0308","0.0305","","","0.0822","0.0825","","","","","","1.06","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517269","6.6062","0.0003","9.7077","0.0004","11.6325","0.0005","95.271","0.002","103.669","0.002","93.602","0.002","719.05","0.05","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H24 O3 -","- C16 H24 O3 -","- C32 H48 O6 -","2","1","","Handore, Kishor L.; Reddy, D. Srinivasa","Total synthesis of (±)-nardoaristolone B and its analogues.","Organic letters","2014","16","16","4252","4255","10.1021/ol501949r","","","0.71073","MoKα","","0.0538","0.047","","","0.1323","0.1387","","","","","","1.058","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517282","27.7938","0.0011","6.3604","0.0003","18.1051","0.0007","90","","127.987","0.002","90","","2522.6","0.2","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H32 F3 N O3 -","- C27 H32 F3 N O3 -","- C108 H128 F12 N4 O12 -","4","1","","Han, Zhengxu S.; Xu, Yibo; Fandrick, Daniel R.; Rodriguez, Sonia; Li, Zhibin; Qu, Bo; Gonnella, Nina C.; Sanyal, Sanjit; Reeves, Jonathan T.; Ma, Shengli; Grinberg, Nelu; Haddad, Nizar; Krishnamurthy, Dhileep; Song, Jinhua J.; Yee, Nathan K.; Pfrengle, Waldemar; Ostermeier, Markus; Schnaubelt, Jürgen; Leuter, Zeno; Steigmiller, Sonja; Däubler, Jürgen; Stehle, Emanuel; Neumann, Lukas; Trieselmann, Thomas; Tielmann, Patrick; Buba, Annette; Hamm, Rainer; Koch, Gunter; Renner, Svenja; Dehli, Juan R.; Schmelcher, Florian; Stange, Christian; Mack, Jürgen; Soyka, Rainer; Senanayake, Chris H.","Facile entry to an efficient and practical enantioselective synthesis of a polycyclic cholesteryl ester transfer protein inhibitor.","Organic letters","2014","16","16","4142","4145","10.1021/ol501833g","","","1.54178","CuKα","","0.0553","0.055","","","0.1474","0.1478","","","","","","1.0566","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517283","14.9925","0.0014","10.25","0.0009","14.5255","0.0013","90","","114.65","0.002","90","","2028.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 N O2 Si -","- C21 H29 N O2 Si -","- C84 H116 N4 O8 Si4 -","4","1","","Si, Chang-Mei; Huang, Wei; Du, Zhen-Ting; Wei, Bang-Guo; Lin, Guo-Qiang","Diastereoconvergent Synthesis of trans-5-Hydroxy-6-Substituted-2-Piperidinones by Addition-Cyclization-Deprotection Process.","Organic letters","2014","16","16","4328","4331","10.1021/ol5020812","","","0.71073","MoKα","","0.0541","0.0437","","","0.1182","0.1277","","","","","","1.038","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517284","7.37972","0.00012","14.8985","0.0002","16.3419","0.0003","90","","90","","90","","1796.74","0.05","105","7","105","7","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 Br N2 O3 -","- C22 H17 Br N2 O3 -","- C88 H68 Br4 N8 O12 -","4","1","","Ransborg, Lars Krogager; Overgaard, Mette; Hejmanowska, Joanna; Barfüsser, Sebastian; Jørgensen, Karl Anker; Albrecht, Lukasz","Asymmetric Formation of Bridged Benzoxazocines through an Organocatalytic Multicomponent Dienamine-Mediated One-Pot Cascade.","Organic letters","2014","16","16","4182","4185","10.1021/ol501882x","","x-ray","0.71073","MoKα","","0.0306","0.0284","","","0.0642","0.0653","","","","","","1.064","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517385","11.0367","0.0006","9.0626","0.0005","19.1081","0.001","90","","98.327","0.0007","90","","1891.07","0.18","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Cl N O5 -","- C21 H22 Cl N O5 -","- C84 H88 Cl4 N4 O20 -","4","1","","Cleary, Leah; Pitzen, Jennifer; Brailsford, John A.; Shea, Kenneth J.","Progress toward the Total Synthesis of N-Methylwelwitindolinone B Isothiocyanate.","Organic letters","2014","16","17","4460","","10.1021/ol5020043","","","0.71073","MoKα","","0.043","0.0344","","","0.0842","0.0889","","","","","","1.033","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517386","9.6052","0.0005","14.5858","0.0007","14.9637","0.0007","67.5035","0.0006","80.6214","0.0006","86.2284","0.0006","1910.97","0.16","88","2","88","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H27 N O5 -","- C22 H27 N O5 -","- C88 H108 N4 O20 -","4","2","","Cleary, Leah; Pitzen, Jennifer; Brailsford, John A.; Shea, Kenneth J.","Progress toward the Total Synthesis of N-Methylwelwitindolinone B Isothiocyanate.","Organic letters","2014","16","17","4460","","10.1021/ol5020043","","","0.71073","MoKα","","0.046","0.0404","","","0.1055","0.1103","","","","","","1.028","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517387","7.4167","0.0005","8.783","0.0006","9.1296","0.0007","104.251","0.0008","98.7965","0.0008","110.147","0.0007","522.34","0.06","83","2","83","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H18 O2 -","- C13 H18 O2 -","- C26 H36 O4 -","2","1","","Roosen, Philipp C.; Vanderwal, Christopher D.","Investigations into an Anionic Oxy-Cope/Transannular Conjugate Addition Approach to 7,20-Diisocyanoadociane.","Organic letters","2014","16","17","4368","","10.1021/ol502205m","","","0.71073","MoKα","","0.0411","0.0391","","","0.1147","0.1168","","","","","","1.084","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517388","8.5541","0.0007","8.9646","0.0008","20.1698","0.0017","90","","101.772","0.0011","90","","1514.2","0.2","143","2","143","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 O2 -","- C18 H26 O2 -","- C72 H104 O8 -","4","1","","Roosen, Philipp C.; Vanderwal, Christopher D.","Investigations into an Anionic Oxy-Cope/Transannular Conjugate Addition Approach to 7,20-Diisocyanoadociane.","Organic letters","2014","16","17","4368","","10.1021/ol502205m","","","0.71073","MoKα","","0.052","0.0401","","","0.1","0.1072","","","","","","1.023","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517389","5.9268","0.0006","33.959","0.004","7.8335","0.0008","90","","105.164","0.0012","90","","1521.7","0.3","143","2","143","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 O2 -","- C18 H26 O2 -","- C72 H104 O8 -","4","1","","Roosen, Philipp C.; Vanderwal, Christopher D.","Investigations into an Anionic Oxy-Cope/Transannular Conjugate Addition Approach to 7,20-Diisocyanoadociane.","Organic letters","2014","16","17","4368","","10.1021/ol502205m","","","0.71073","MoKα","","0.0466","0.039","","","0.1012","0.1064","","","","","","1.04","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517390","22.1736","0.0005","8.6842","0.0002","10.5294","0.0002","90","","90","","90","","2027.54","0.08","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H18 B2 F8 N2 -","- C22 H18 B2 F8 N2 -","- C88 H72 B8 F32 N8 -","4","0.5","","Zhang, Xiaoping; Clennan, Edward L.; Arulsamy, Navamoney","Photophysical and Electrochemical Characterization of a Helical Viologen, N,N'-Dimethyl-5,10-diaza[5]helicene.","Organic letters","2014","16","17","4610","","10.1021/ol502180y","","","0.71073","MoKα","","0.0521","0.0426","","","0.1182","0.1269","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517391","9.1194","0.0012","26.295","0.004","7.2648","0.001","90","","99.144","0.002","90","","1719.9","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N O -","- C23 H17 N O -","- C92 H68 N4 O4 -","4","1","","Gao, Qinghe; Liu, Shan; Wu, Xia; Wu, Anxin","Povarov-Type Reaction Using Methyl as New Input: Direct Synthesis of Substituted Quinolines by I2-Mediated Formal [3 + 2 + 1] Cycloaddition.","Organic letters","2014","16","17","4582","","10.1021/ol502134u","","","0.71073","MoKα","","0.0771","0.0523","","","0.1384","0.1555","","","","","","1.069","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517392","26.156","0.002","16.7699","0.0016","15.5605","0.0014","90","","106.958","0.006","90","","6528.6","1","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 Br N O3 S -","- C17 H18 Br N O3 S -","- C272 H288 Br16 N16 O48 S16 -","16","2","","Evans, P. Andrew; Burnie, Andrew J.; Negru, Daniela E.","Rhodium-Catalyzed [(3+2)+1] Carbocyclization Reactions of Alkynylidenecyclopropanes with Carbon Monoxide: Regiospecific Construction of Polysubstituted Phenols.","Organic letters","2014","16","17","4356","","10.1021/ol501724s","","","0.71073","MoKα","","0.0908","0.0532","","","0.1219","0.1371","","","","","","1.026","","","","has coordinates,has disorder","301776","2025-08-18","14:47:51",""
"1517393","9.6181","0.0006","11.3853","0.0006","11.4584","0.0006","96.403","0.002","92.318","0.002","109.423","0.002","1171.93","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H20 Br Cl N2 O2 S -","- C26 H20 Br Cl N2 O2 S -","- C52 H40 Br2 Cl2 N4 O4 S2 -","2","1","","Kiruthika, Selvarangam E.; Nandakumar, Avanashiappan; Perumal, Paramasivan Thirumalai","Synthesis of Pyrrolo-/Indolo[1,2-a]quinolines and Naphtho[2,1-b]thiophenes from gem-Dibromovinyls and Sulphonamides.","Organic letters","2014","16","17","4424","","10.1021/ol5019085","","","0.71073","MoKα","","0.0444","0.0325","","","0.0803","0.0864","","","","","","1.033","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517394","8.7271","0.0012","10.0996","0.0014","18.599","0.003","90","","90","","90","","1639.3","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O6 -","- C15 H26 O6 -","- C60 H104 O24 -","4","1","","Wu, Yi-Biao; Tang, Yu; Luo, Guo-Ying; Chen, Yang; Hsung, Richard P.","An Approach toward Constructing the Trioxadispiroketal Core in the DEF-Ring of (+)-Spirastrellolide A.","Organic letters","2014","16","17","4550","","10.1021/ol502103b","","","0.71075","MoKα","","0.0851","0.0545","","","0.1122","0.129","","","","","","0.98","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517395","9.881","0.002","10.831","0.002","11.457","0.002","97.91","0.03","101.73","0.03","98.44","0.03","1169.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 Cl2 O3 -","- C27 H22 Cl2 O3 -","- C54 H44 Cl4 O6 -","2","1","","Liang, Renxiao; Ma, Tongmei; Zhu, Shifa","Silver-Catalyzed Reaction of Enynals with Alkenes: A Tandem 1,3-Dipolar Cycloaddition/Cyclopropanation.","Organic letters","2014","16","17","4412","","10.1021/ol5017299","","","0.71073","MoKα","","0.074","0.0626","","","0.1938","0.2","","","","","","1.085","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517396","10.7856","0.0014","11.0756","0.0015","12.1131","0.0016","69.1857","0.0019","65.3217","0.0018","63.0462","0.0019","1147.1","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","2","","Slater, Natasha H.; Brown, Natalie J.; Elsegood, Mark R. J.; Kimber, Marc C.","The Au(I) Catalyzed Activation of Allenamides and Their Subsequent Transformation into Chromanes: A Method for the Regiocontrolled Addition to the α- and γ-Positions of the Allene Unit.","Organic letters","2014","16","17","4606","","10.1021/ol502178v","","","0.71073","MoKα","","0.0502","0.0409","","","0.11","0.1175","","","","","","1.035","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517397","14.2303","0.0008","9.9756","0.0006","11.3012","0.0006","90","","99.263","0.004","90","","1583.35","0.16","107","2","107","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N O4 -","- C17 H23 N O4 -","- C68 H92 N4 O16 -","4","1","","David, Jonathan G.; Bai, Wen-Ju; Weaver, Marisa G.; Pettus, Thomas R. R.","A General Diastereoselective Catalytic Vinylogous Aldol Reaction Among Tetramic Acid-Derived Pyrroles.","Organic letters","2014","16","17","4384","","10.1021/ol501715r","","","0.71073","MoKα","","0.0634","0.0418","","","0.0982","0.1084","","","","","","1.038","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517398","10.1392","0.0019","6.5215","0.0012","22.148","0.004","90","","99.666","0.006","90","","1443.7","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O5 -","- C16 H14 O5 -","- C64 H56 O20 -","4","1","","Zhang, Zeguang; Jiang, Xuefeng","Oxidative Coupling of Terminal Alkyne with α-Hydroxy Ketone: An Expedient Approach toward Ynediones.","Organic letters","2014","16","17","4400","","10.1021/ol502298a","","","0.71073","MoKα","","0.0492","0.0352","","","0.0976","0.1101","","","","","","1.088","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517399","11.6235","0.0004","10.0558","0.0003","16.1897","0.0006","90","","127.493","0.002","90","","1501.41","0.1","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O3 Si -","- C15 H19 N O3 Si -","- C60 H76 N4 O12 Si4 -","4","1","","Liu, Shasha; Zhao, Jinbo; Kaminsky, Lauren; Wilson, Robert J.; Marino, Nadia; Clark, Daniel A.","Ethylene Transposition: Ruthenium Hydride Catalyzed Intramolecular trans-Silylvinylation of Internal Alkynes.","Organic letters","2014","16","17","4456","","10.1021/ol5020027","","","1.54178","CuKα","","0.0395","0.0374","","","0.098","0.0997","","","","","","1.141","","","","has coordinates,has disorder","301776","2025-08-18","14:47:51",""
"1517400","11.6235","0.0004","10.0558","0.0003","18.5574","0.0006","90","","136.196","0.002","90","","1501.41","0.1","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O3 Si -","- C15 H19 N O3 Si -","- C60 H76 N4 O12 Si4 -","4","1","","Liu, Shasha; Zhao, Jinbo; Kaminsky, Lauren; Wilson, Robert J.; Marino, Nadia; Clark, Daniel A.","Ethylene Transposition: Ruthenium Hydride Catalyzed Intramolecular trans-Silylvinylation of Internal Alkynes.","Organic letters","2014","16","17","4456","","10.1021/ol5020027","","","1.54178","CuKα","","0.0395","0.0374","","","0.098","0.0997","","","","","","1.14","","","","has coordinates,has disorder","301776","2025-08-18","14:47:51",""
"1517401","11.6235","0.0004","10.0558","0.0003","12.9667","0.0004","90","","97.843","0.002","90","","1501.42","0.08","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 N O3 Si -","- C15 H19 N O3 Si -","- C60 H76 N4 O12 Si4 -","4","1","","Liu, Shasha; Zhao, Jinbo; Kaminsky, Lauren; Wilson, Robert J.; Marino, Nadia; Clark, Daniel A.","Ethylene Transposition: Ruthenium Hydride Catalyzed Intramolecular trans-Silylvinylation of Internal Alkynes.","Organic letters","2014","16","17","4456","","10.1021/ol5020027","","","1.54178","CuKα","","0.0395","0.0374","","","0.098","0.0997","","","","","","1.142","","","","has coordinates,has disorder","301776","2025-08-18","14:47:51",""
"1517402","11.2333","0.0003","13.7701","0.0003","15.8106","0.0004","115.076","0.001","103.332","0.001","92.587","0.001","2126.93","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C24.25 H21.5 Br Cl0.5 O4 -","- C24.25 H21 Br Cl0.5 O4 -","- C97 H84 Br4 Cl2 O16 -","4","2","","Mariaule, Gaëlle; Newsome, Gregory; Toullec, Patrick Y.; Belmont, Philippe; Michelet, Véronique","Silver-Catalyzed Domino Hydroarylation/Cycloisomerization Reactions of ortho-Alkynylbenzaldehydes: An Entry to Functionalized Isochromene Derivatives.","Organic letters","2014","16","17","4570","","10.1021/ol5021256","","","1.54178","CuKα","","0.0518","0.0509","","","0.1046","0.105","","","","","","1.221","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1517412","9.8508","0.0008","26.583","0.003","19.2662","0.0018","90","","98.518","0.002","90","","4989.5","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Br N O5 -","- C27 H26 Br N O5 -","- C216 H208 Br8 N8 O40 -","8","2","","Ma, Guan-Hua; Jiang, Bo; Tu, Xing-Jun; Ning, Yi; Tu, Shu-Jiang; Li, Guigen","Synthesis of Isocoumarins with Different Substituted Patterns via Passerini-Aldol Sequence.","Organic letters","2014","16","17","4504","","10.1021/ol502048e","","","0.71073","MoKα","","0.2024","0.0648","","","0.1069","0.1175","","","","","","1.001","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517413","17.6201","0.0016","6.508","0.0005","17.6402","0.0017","90","","91.731","0.001","90","","2021.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Br N O5 -","- C21 H20 Br N O5 -","- C84 H80 Br4 N4 O20 -","4","1","","Ma, Guan-Hua; Jiang, Bo; Tu, Xing-Jun; Ning, Yi; Tu, Shu-Jiang; Li, Guigen","Synthesis of Isocoumarins with Different Substituted Patterns via Passerini-Aldol Sequence.","Organic letters","2014","16","17","4504","","10.1021/ol502048e","","","0.71073","MoKα","","0.176","0.0685","","","0.1154","0.1324","","","","","","1.032","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517415","7.468","0.004","7.906","0.003","8.99","0.004","94.02","0.04","100.02","0.04","104.01","0.04","503.6","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H26 N6 -","- C24 H26 N6 -","- C24 H26 N6 -","1","0.5","","Gregoliński, Janusz; Slepokura, Katarzyna; Paćkowski, Tomasz; Lisowski, Jerzy","Expansion of a 2 + 2 Macrocycle into a 6 + 6 Macrocycle: Template Effect of Cadmium(II).","Organic letters","2014","16","17","4372","","10.1021/ol501602f","","","0.71073","MoKα","","0.0721","0.0414","","","0.0862","0.0929","","","","","","1.005","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517416","14.657","0.003","14.657","0.003","11.492","0.003","90","","90","","90","","2468.8","1","100","2","100","2","","","","","","","","3","P 42/n","-P 4bc","86","","","","- C54 H58 N12 -","- C54 H58 N12 -","- C108 H116 N24 -","2","","","Gregoliński, Janusz; Slepokura, Katarzyna; Paćkowski, Tomasz; Lisowski, Jerzy","Expansion of a 2 + 2 Macrocycle into a 6 + 6 Macrocycle: Template Effect of Cadmium(II).","Organic letters","2014","16","17","4372","","10.1021/ol501602f","","","0.71073","MoKα","","0.101","0.0545","","","0.1378","0.1531","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517417","12.074","0.003","15.164","0.005","17.95","0.006","114.14","0.03","90.19","0.03","113.39","0.03","2698.2","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H166 Cl12 N18 O26 -","- C72 H122 Cl10 N18 O30 -","- C72 H122 Cl10 N18 O30 -","1","0.5","","Gregoliński, Janusz; Slepokura, Katarzyna; Paćkowski, Tomasz; Lisowski, Jerzy","Expansion of a 2 + 2 Macrocycle into a 6 + 6 Macrocycle: Template Effect of Cadmium(II).","Organic letters","2014","16","17","4372","","10.1021/ol501602f","","","0.71073","MoKα","","0.1469","0.0736","","","0.1767","0.1944","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517418","14.379","0.004","14.999","0.006","15.291","0.007","78.08","0.03","86.71","0.03","61.81","0.03","2841","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H144 Cl12 N20 O12 -","- C76 H120 Cl12 N20 O12.6 -","- C76 H120 Cl12 N20 O12.6 -","1","0.5","","Gregoliński, Janusz; Slepokura, Katarzyna; Paćkowski, Tomasz; Lisowski, Jerzy","Expansion of a 2 + 2 Macrocycle into a 6 + 6 Macrocycle: Template Effect of Cadmium(II).","Organic letters","2014","16","17","4372","","10.1021/ol501602f","","","0.71073","MoKα","","0.1401","0.0946","","","0.2795","0.305","","","","","","1.059","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517419","6.0935","0.0012","8.9206","0.0017","14.327","0.003","90","","100.014","0.002","90","","766.9","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H16 Cl N O4 -","- C16 H16 Cl N O4 -","- C32 H32 Cl2 N2 O8 -","2","1","","Liu, Kang; Teng, Huai-Long; Wang, Chun-Jiang","Et3N-Catalyzed Tandem Formal [4 + 3] Annulation/Decarboxylation/Isomerization of Methyl Coumalate with Imine Esters: Access to Functionalized Azepine Derivatives.","Organic letters","2014","16","17","4508","","10.1021/ol5020569","","","0.71073","MoKα","","0.0346","0.0324","","","0.0837","0.0859","","","","","","1.031","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517420","8.7054","0.0003","15.5955","0.0005","38.4153","0.0012","90","","90","","90","","5215.5","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H20 Br Cl F3 N3 O4 -","- C27 H20 Br Cl F3 N3 O4 -","- C216 H160 Br8 Cl8 F24 N24 O32 -","8","2","","Zhao, Mei-Xin; Bi, Hong-Lei; Jiang, Rong-Hui; Xu, Xu-Wei; Shi, Min","Cinchona Alkaloid Squaramide/AgOAc Cooperatively Catalyzed Diastereo- and Enantioselective Mannich/Cyclization Cascade Reaction of Isocyanoacetates and Cyclic Trifluoromethyl Ketimines.","Organic letters","2014","16","17","4566","","10.1021/ol502123z","","","0.71073","MoKα","","0.0587","0.0391","","","0.0692","0.0759","","","","","","1.026","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517421","6.387","0.0002","16.5721","0.0008","37.2128","0.0014","90","","90","","90","","3938.8","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H21 N O3 S -","- C23 H21 N O3 S -","- C184 H168 N8 O24 S8 -","8","1","","Ma, Xueji; Pan, Shanfei; Wang, Hangxiang; Chen, Wanzhi","Rhodium-Catalyzed Transannulation of N-Sulfonyl-1,2,3-triazoles and Epoxides: Regioselective Synthesis of Substituted 3,4-Dihydro-2H-1,4-oxazines.","Organic letters","2014","16","17","4554","","10.1021/ol5021042","","","0.71073","MoKα","","0.0558","0.0404","","","0.0987","0.1097","","","","","","1.045","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517428","17.4299","0.0011","17.8218","0.001","28.919","0.0016","90","","90","","90","","8983.2","0.9","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C92 H134 Cl Li2 N2 O11 Yb -","- C92 H134 Cl Li2 N2 O11 Yb -","- C368 H536 Cl4 Li8 N8 O44 Yb4 -","4","1","","Qian, Qinqin; Tan, Yufang; Zhao, Bei; Feng, Tao; Shen, Qi; Yao, Yingming","Asymmetric Epoxidation of Unsaturated Ketones Catalyzed by Heterobimetallic Rare Earth-Lithium Complexes Bearing Phenoxy-Functionalized Chiral Diphenylprolinolate Ligand.","Organic letters","2014","16","17","4516","","10.1021/ol5020398","","","0.71075","MoKα","","0.0578","0.05","","","0.0958","0.1018","","","","","","1.058","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517429","17.533","0.0011","17.8098","0.0011","28.931","0.002","90","","90","","90","","9034","1","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C92 H134 Cl Li2 N2 O11 Y -","- C92 H134 Cl Li2 N2 O11 Y -","- C368 H536 Cl4 Li8 N8 O44 Y4 -","4","1","","Qian, Qinqin; Tan, Yufang; Zhao, Bei; Feng, Tao; Shen, Qi; Yao, Yingming","Asymmetric Epoxidation of Unsaturated Ketones Catalyzed by Heterobimetallic Rare Earth-Lithium Complexes Bearing Phenoxy-Functionalized Chiral Diphenylprolinolate Ligand.","Organic letters","2014","16","17","4516","","10.1021/ol5020398","","","0.71075","MoKα","","0.1091","0.0844","","","0.1658","0.1789","","","","","","1.114","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517430","17.6443","0.001","17.7644","0.0011","28.917","0.0017","90","","90","","90","","9063.8","0.9","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C92 H134 Cl Li2 N2 O11 Sm -","- C92 H134 Cl Li2 N2 O11 Sm -","- C368 H536 Cl4 Li8 N8 O44 Sm4 -","4","1","","Qian, Qinqin; Tan, Yufang; Zhao, Bei; Feng, Tao; Shen, Qi; Yao, Yingming","Asymmetric Epoxidation of Unsaturated Ketones Catalyzed by Heterobimetallic Rare Earth-Lithium Complexes Bearing Phenoxy-Functionalized Chiral Diphenylprolinolate Ligand.","Organic letters","2014","16","17","4516","","10.1021/ol5020398","","","0.71075","MoKα","","0.0796","0.0692","","","0.1372","0.1457","","","","","","1.125","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517431","17.7338","0.0013","17.7079","0.0014","28.905","0.002","90","","90","","90","","9077","1.2","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C92 H134 Cl Li2 N2 Nd O11 -","- C92 H134 Cl Li2 N2 Nd O11 -","- C368 H536 Cl4 Li8 N8 Nd4 O44 -","4","1","","Qian, Qinqin; Tan, Yufang; Zhao, Bei; Feng, Tao; Shen, Qi; Yao, Yingming","Asymmetric Epoxidation of Unsaturated Ketones Catalyzed by Heterobimetallic Rare Earth-Lithium Complexes Bearing Phenoxy-Functionalized Chiral Diphenylprolinolate Ligand.","Organic letters","2014","16","17","4516","","10.1021/ol5020398","","","0.71075","MoKα","","0.0697","0.0626","","","0.1325","0.1393","","","","","","1.097","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517432","22.782","0.003","22.782","0.003","7.373","0.0015","90","","90","","90","","3826.7","1.1","100","2","100","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C43 H31 Cl6 N2 -","- C43 H31 Cl6 N2 -","- C172 H124 Cl24 N8 -","4","0.5","","Tominaga, Masahide; Yoneta, Tetsuro; Ohara, Kazuaki; Yamaguchi, Kentaro; Itoh, Tsutomu; Minamoto, Chihiro; Azumaya, Isao","Self-Assembly of a Tetrapodal Adamantane with Carbazole Branches into Hollow Spherical Aggregates in Organic Media.","Organic letters","2014","16","17","4622","","10.1021/ol502116m","","","0.8","Synchrotron","","0.0806","0.0773","","","0.2107","0.2146","","","","","","1.059","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517433","23.0796","0.0014","23.0796","0.0014","7.0154","0.0006","90","","90","","90","","3736.9","0.5","100","2","100","2","","","","","","","","3","I -4","I -4","82","","","","- C50 H42 N4 -","- C50 H42 N4 -","- C200 H168 N16 -","4","0.5","","Tominaga, Masahide; Yoneta, Tetsuro; Ohara, Kazuaki; Yamaguchi, Kentaro; Itoh, Tsutomu; Minamoto, Chihiro; Azumaya, Isao","Self-Assembly of a Tetrapodal Adamantane with Carbazole Branches into Hollow Spherical Aggregates in Organic Media.","Organic letters","2014","16","17","4622","","10.1021/ol502116m","","","0.71073","MoKα","","0.085","0.0702","","","0.1794","0.1864","","","","","","1.015","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517434","10.6706","0.0015","10.6783","0.0016","14.703","0.002","102.874","0.003","99.107","0.003","91.369","0.003","1609.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H45 Br N3 P Pd -","- C35 H45 Br N3 P Pd -","- C70 H90 Br2 N6 P2 Pd2 -","2","1","","Yang, Yang; Niedermann, Katrin; Han, Chong; Buchwald, Stephen L.","Highly Selective Palladium-Catalyzed Cross-Coupling of Secondary Alkylzinc Reagents with Heteroaryl Halides.","Organic letters","2014","16","17","4638","","10.1021/ol502230p","","","0.71073","MoKα","","0.0694","0.0438","","","0.1004","0.1131","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517435","13.2223","0.0003","8.06237","0.00016","16.5867","0.0004","90","","109.428","0.002","90","","1667.51","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C72 H96 N8 O8 -","4","1","","Peng, Xie-Xue; Deng, Yun-Jing; Yang, Xiu-Long; Zhang, Lin; Yu, Wei; Han, Bing","Iminoxyl Radical-Promoted Dichotomous Cyclizations: Efficient Oxyoximation and Aminooximation of Alkenes.","Organic letters","2014","16","17","4650","","10.1021/ol502258n","","","1.54184","CuKα","","0.0575","0.0534","","","0.1469","0.1528","","","","","","1.034","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517436","8.4089","0.0008","10.0499","0.0015","12.6368","0.0017","102.268","0.012","103.727","0.01","110.298","0.011","920.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C38 H40 N4 O4 -","2","1","","Peng, Xie-Xue; Deng, Yun-Jing; Yang, Xiu-Long; Zhang, Lin; Yu, Wei; Han, Bing","Iminoxyl Radical-Promoted Dichotomous Cyclizations: Efficient Oxyoximation and Aminooximation of Alkenes.","Organic letters","2014","16","17","4650","","10.1021/ol502258n","","","0.71073","MoKα","","0.0862","0.0619","","","0.1671","0.1883","","","","","","1.052","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517437","6.2135","0.0013","9.64","0.002","9.692","0.002","85.789","0.002","73.02","0.003","86.307","0.002","553.2","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H28 N4 O4 -","- C24 H28 N4 O4 -","- C24 H28 N4 O4 -","1","0.5","","Peng, Xie-Xue; Deng, Yun-Jing; Yang, Xiu-Long; Zhang, Lin; Yu, Wei; Han, Bing","Iminoxyl Radical-Promoted Dichotomous Cyclizations: Efficient Oxyoximation and Aminooximation of Alkenes.","Organic letters","2014","16","17","4650","","10.1021/ol502258n","","","0.71073","MoKα","","0.1066","0.0947","","","0.1734","0.1795","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517438","12.1536","0.0004","17.301","0.0006","7.936","0.0002","90","","102.907","0.003","90","","1626.54","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C76 H80 N8 O8 -","4","1","","Peng, Xie-Xue; Deng, Yun-Jing; Yang, Xiu-Long; Zhang, Lin; Yu, Wei; Han, Bing","Iminoxyl Radical-Promoted Dichotomous Cyclizations: Efficient Oxyoximation and Aminooximation of Alkenes.","Organic letters","2014","16","17","4650","","10.1021/ol502258n","","","0.71073","MoKα","","0.0753","0.0544","","","0.1244","0.1419","","","","","","1.059","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517439","6.4874","0.001","11.048","0.002","12.397","0.003","69.31","0.02","77.922","0.017","88.901","0.014","811.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C36 H48 N4 O4 -","2","1","","Peng, Xie-Xue; Deng, Yun-Jing; Yang, Xiu-Long; Zhang, Lin; Yu, Wei; Han, Bing","Iminoxyl Radical-Promoted Dichotomous Cyclizations: Efficient Oxyoximation and Aminooximation of Alkenes.","Organic letters","2014","16","17","4650","","10.1021/ol502258n","","","0.71","MoKα","","0.0949","0.0586","","","0.1346","0.1648","","","","","","1.056","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517440","10.1115","0.0002","9.668","0.0002","10.4467","0.0007","90","","100.429","0.007","90","","1004.38","0.08","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","1","","Liu, Gang; Mei, Guangjian; Chen, Runwen; Yuan, Haina; Yang, Zhen; Li, Chuang-Chuang","Total Synthesis of Aplykurodinone-1.","Organic letters","2014","16","17","4380","","10.1021/ol502220r","","","1.54178","CuKα","","0.0538","0.0461","","","0.1159","0.122","","","","","","1.109","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517448","5.4204","0.0007","12.4685","0.0015","17.572","0.002","90","","90.674","0.002","90","","1187.5","0.2","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O -","- C16 H18 O -","- C64 H72 O4 -","4","1","","Usui, Kazuteru; Tanoue, Kensuke; Yamamoto, Kosuke; Shimizu, Takashi; Suemune, Hiroshi","Synthesis of Substituted Azulenes via Pt(II)-Catalyzed Ring-Expanding Cycloisomerization.","Organic letters","2014","16","17","4662","","10.1021/ol502270q","","","0.71069","MoKα","","","0.0371","","","","0.1058","","","","","","0.99","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517449","11.684","0.003","8.087","0.002","12.813","0.004","90","","102.115","0.005","90","","1183.7","0.6","299","","299","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C48 H52 N4 O16 -","4","1","","Takesue, Takuya; Fujita, Morifumi; Sugimura, Takashi; Akutsu, Hiroki","A Series of Two Oxidation Reactions of ortho-Alkenylbenzamide with Hypervalent Iodine(III): A Concise Entry into (3R,4R)-4-Hydroxymellein and (3R,4R)-4-Hydroxy-6-methoxymellein.","Organic letters","2014","16","17","4634","","10.1021/ol502225p","","","0.71075","MoKα","","","0.0531","","","","0.1575","","","","","","1.077","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517450","8.2344","0.0015","9.9972","0.0017","12.32","0.003","89.301","0.01","88.435","0.009","76.903","0.007","987.4","0.3","297","","297","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 N2 O5 -","- C22 H20 N2 O5 -","- C44 H40 N4 O10 -","2","1","","Takesue, Takuya; Fujita, Morifumi; Sugimura, Takashi; Akutsu, Hiroki","A Series of Two Oxidation Reactions of ortho-Alkenylbenzamide with Hypervalent Iodine(III): A Concise Entry into (3R,4R)-4-Hydroxymellein and (3R,4R)-4-Hydroxy-6-methoxymellein.","Organic letters","2014","16","17","4634","","10.1021/ol502225p","","","0.71075","MoKα","","","0.0526","","","","0.1284","","","","","","1.001","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517451","27.829","0.003","27.829","0.003","10.1784","0.0012","90","","90","","120","","6826.6","1.3","295","","295","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C16 H15.33 N O4.17 S -","- C16 H15.3333 N O4.16667 S -","- C288 H275.999 N18 O75 S18 -","18","1","","Takesue, Takuya; Fujita, Morifumi; Sugimura, Takashi; Akutsu, Hiroki","A Series of Two Oxidation Reactions of ortho-Alkenylbenzamide with Hypervalent Iodine(III): A Concise Entry into (3R,4R)-4-Hydroxymellein and (3R,4R)-4-Hydroxy-6-methoxymellein.","Organic letters","2014","16","17","4634","","10.1021/ol502225p","","","0.71075","MoKα","","0.1002","0.0698","","","0.1674","0.1882","","","","","","1.119","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517452","6.596","0.001","25.254","0.004","17.052","0.003","90","","91.13","0.009","90","","2839.9","0.8","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H10 O4 -","- C10 H10 O4 -","- C120 H120 O48 -","12","6","","Takesue, Takuya; Fujita, Morifumi; Sugimura, Takashi; Akutsu, Hiroki","A Series of Two Oxidation Reactions of ortho-Alkenylbenzamide with Hypervalent Iodine(III): A Concise Entry into (3R,4R)-4-Hydroxymellein and (3R,4R)-4-Hydroxy-6-methoxymellein.","Organic letters","2014","16","17","4634","","10.1021/ol502225p","","","0.71075","MoKα","","","0.0606","","","","0.1843","","","","","","0.933","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517453","8.521","0.003","25.161","0.007","7.998","0.003","90","","112.16","0.005","90","","1588.1","0.9","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O4 -","- C18 H16 N2 O4 -","- C72 H64 N8 O16 -","4","1","","Takesue, Takuya; Fujita, Morifumi; Sugimura, Takashi; Akutsu, Hiroki","A Series of Two Oxidation Reactions of ortho-Alkenylbenzamide with Hypervalent Iodine(III): A Concise Entry into (3R,4R)-4-Hydroxymellein and (3R,4R)-4-Hydroxy-6-methoxymellein.","Organic letters","2014","16","17","4634","","10.1021/ol502225p","","","0.71075","MoKα","","","0.0536","","","","0.1608","","","","","","1.061","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517454","8.6491","0.0006","9.9027","0.0008","11.698","0.0005","69.219","0.015","71.332","0.015","73.696","0.017","871.51","0.15","299","","299","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 N O5 S -","- C18 H17 N O5 S -","- C36 H34 N2 O10 S2 -","2","1","","Takesue, Takuya; Fujita, Morifumi; Sugimura, Takashi; Akutsu, Hiroki","A Series of Two Oxidation Reactions of ortho-Alkenylbenzamide with Hypervalent Iodine(III): A Concise Entry into (3R,4R)-4-Hydroxymellein and (3R,4R)-4-Hydroxy-6-methoxymellein.","Organic letters","2014","16","17","4634","","10.1021/ol502225p","","","0.71075","MoKα","","","0.0677","","","","0.221","","","","","","0.923","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517455","12.135","0.004","55.75","0.016","11.738","0.003","90","","90","","90","","7941","4","299","","299","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C21 H23 N O5 S -","- C21 H23 N O5 S -","- C336 H368 N16 O80 S16 -","16","1","","Takesue, Takuya; Fujita, Morifumi; Sugimura, Takashi; Akutsu, Hiroki","A Series of Two Oxidation Reactions of ortho-Alkenylbenzamide with Hypervalent Iodine(III): A Concise Entry into (3R,4R)-4-Hydroxymellein and (3R,4R)-4-Hydroxy-6-methoxymellein.","Organic letters","2014","16","17","4634","","10.1021/ol502225p","","","0.71075","MoKα","","","0.067","","","","0.1864","","","","","","1.066","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517456","9.2395","0.0016","8.4743","0.0013","19.634","0.003","90","","99.069","0.004","90","","1518.1","0.4","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C60 H76 N4 O16 -","4","1","","Takesue, Takuya; Fujita, Morifumi; Sugimura, Takashi; Akutsu, Hiroki","A Series of Two Oxidation Reactions of ortho-Alkenylbenzamide with Hypervalent Iodine(III): A Concise Entry into (3R,4R)-4-Hydroxymellein and (3R,4R)-4-Hydroxy-6-methoxymellein.","Organic letters","2014","16","17","4634","","10.1021/ol502225p","","","0.71075","MoKα","","","0.058","","","","0.1849","","","","","","0.955","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517457","6.954","0.003","8.706","0.003","10.605","0.004","86.06","0.013","86.801","0.014","83.376","0.012","635.5","0.4","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C26 H30 N2 O8 -","2","1","","Takesue, Takuya; Fujita, Morifumi; Sugimura, Takashi; Akutsu, Hiroki","A Series of Two Oxidation Reactions of ortho-Alkenylbenzamide with Hypervalent Iodine(III): A Concise Entry into (3R,4R)-4-Hydroxymellein and (3R,4R)-4-Hydroxy-6-methoxymellein.","Organic letters","2014","16","17","4634","","10.1021/ol502225p","","","0.71075","MoKα","","","0.0451","","","","0.1369","","","","","","0.915","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517460","9.47446","0.00017","10.43989","0.00019","12.5041","0.0003","86.167","0.0009","87.943","0.0008","74.807","0.0008","1190.69","0.04","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H25 N O6 S2 -","- C25 H25 N O6 S2 -","- C50 H50 N2 O12 S4 -","2","1","","Kiyokawa, Kensuke; Yahata, Shunsuke; Kojima, Takumi; Minakata, Satoshi","Hypervalent Iodine(III)-Mediated Oxidative Decarboxylation of β,γ-Unsaturated Carboxylic Acids.","Organic letters","2014","16","17","4646","","10.1021/ol5022433","","","1.54187","CuKα","","","0.0411","","","","0.1246","","","","","","1.106","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517461","7.0361","0.0007","14.3568","0.0014","15.7212","0.0016","90","","90","","90","","1588.1","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O6 -","- C17 H20 O6 -","- C68 H80 O24 -","4","1","","Simelane, Sandile B.; Kinfe, Henok H.; Muller, Alfred; Williams, D Bradley G","Aluminum Triflate Catalyzed Tandem Reactions of d-Galactal: Toward Chiral Benzopyrans, Chromenes, and Chromans.","Organic letters","2014","16","17","4543","","10.1021/ol502305j","","","0.71073","MoKα","","0.0315","0.0293","","","0.0779","0.0801","","","","","","1.036","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517462","9.1869","0.0003","9.663","0.0003","30.231","0.0008","90","","90","","90","","2683.7","0.14","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 O12 -","- C30 H32 O12 -","- C120 H128 O48 -","4","1","","Simelane, Sandile B.; Kinfe, Henok H.; Muller, Alfred; Williams, D Bradley G","Aluminum Triflate Catalyzed Tandem Reactions of d-Galactal: Toward Chiral Benzopyrans, Chromenes, and Chromans.","Organic letters","2014","16","17","4543","","10.1021/ol502305j","","","1.54178","CuKα","","0.0251","0.0249","","","0.0647","0.0648","","","","","","1.068","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517463","7.5952","0.0008","13.8502","0.0015","19.741","0.002","90","","90","","90","","2076.7","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O9 -","- C21 H24 O9 -","- C84 H96 O36 -","4","1","","Simelane, Sandile B.; Kinfe, Henok H.; Muller, Alfred; Williams, D Bradley G","Aluminum Triflate Catalyzed Tandem Reactions of d-Galactal: Toward Chiral Benzopyrans, Chromenes, and Chromans.","Organic letters","2014","16","17","4543","","10.1021/ol502305j","","","0.71073","MoKα","","0.0411","0.0359","","","0.0894","0.0932","","","","","","1.029","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517464","8.3895","0.0002","14.3785","0.0003","19.2943","0.0004","90","","90","","90","","2327.44","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 O9 -","- C24 H26 O9 -","- C96 H104 O36 -","4","1","","Simelane, Sandile B.; Kinfe, Henok H.; Muller, Alfred; Williams, D Bradley G","Aluminum Triflate Catalyzed Tandem Reactions of d-Galactal: Toward Chiral Benzopyrans, Chromenes, and Chromans.","Organic letters","2014","16","17","4543","","10.1021/ol502305j","","","1.54178","CuKα","","0.0242","0.0235","","","0.0588","0.0594","","","","","","1.067","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517483","7.9804","0.0007","9.89","0.0009","12.2837","0.0011","77.07","0.005","84.753","0.005","87.947","0.005","940.85","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H26 N2 O5 -","- C20 H26 N2 O5 -","- C40 H52 N4 O10 -","2","1","","Suneel Kumar, Chepuri V.; Ramana, Chepuri V.","Tuning the Regioselectivity of Gold-Catalyzed Internal Nitroalkyne Redox: A Cycloisomerization and [3 + 2]-Cycloaddition Cascade for the Construction of spiro-Pseudoindoxyl Skeleton.","Organic letters","2014","16","18","4766","4769","10.1021/ol502213w","","","0.71073","MoKα","","0.0961","0.0938","","","0.2686","0.2705","","","","","","1.157","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517484","26.4774","0.0018","8.7506","0.0006","17.7496","0.0012","90","","123.531","0.003","90","","3428.1","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H26 N2 O5 -","- C18 H22 N2 O4 -","- C144 H176 N16 O32 -","8","1","","Suneel Kumar, Chepuri V.; Ramana, Chepuri V.","Tuning the Regioselectivity of Gold-Catalyzed Internal Nitroalkyne Redox: A Cycloisomerization and [3 + 2]-Cycloaddition Cascade for the Construction of spiro-Pseudoindoxyl Skeleton.","Organic letters","2014","16","18","4766","4769","10.1021/ol502213w","","","0.71073","MoKα","","0.0631","0.054","","","0.1127","0.1176","","","","","","1.106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517485","5.5715","0.0011","8.068","0.0016","20.262","0.004","90","","92.513","0.002","90","","909.9","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(2R*,3aR*,4'S*,5'S*,6aS*,E)-4'-hydroxy-5'-((R*)-3-hydroxybutyl)- 4-((R*)-5-methyldihydrofuran-2(3H)-ylidene)hexahydro- 3'H-spiro[cyclopenta[b]furan-2,2'-furan]-5(3H)-one","","- C19 H28 O6 -","- C19 H28 O6 -","- C38 H56 O12 -","2","1","","Grudniewska, Aleksandra; Hayashi, Sayaka; Shimizu, Mina; Kato, Masayuki; Suenaga, Midori; Imagawa, Hiroshi; Ito, Takuya; Asakawa, Yoshinori; Ban, Sayaka; Kumada, Toshio; Hashimoto, Toshihiro; Umeyama, Akemi","Opaliferin, a New Polyketide from Cultures of Entomopathogenic Fungus Cordyceps sp. NBRC 106954.","Organic letters","2014","16","18","4695","4697","10.1021/ol502216j","","","0.71073","MoKα","","0.0305","0.0302","","","0.0857","0.0862","","","","","","1.263","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517486","15.188","0.005","5.728","0.002","18.462","0.007","90","","106.78","0.005","90","","1537.7","0.9","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-4-((2R,3aR,4'S,5'S,6aS,E)-4'-((4-bromobenzoyl)oxy)-4- ((R)-5-methyldihydrofuran-2(3H)-ylidene)-5-oxooctahydro- 3'H-spiro[cyclopenta[b]furan-2,2'-furan]-5'-yl)butan-2-yl 4-bromobenzoate","","- C33 H34 Br2 O8 -","- C33 H34 Br2 O8 -","- C66 H68 Br4 O16 -","2","1","","Grudniewska, Aleksandra; Hayashi, Sayaka; Shimizu, Mina; Kato, Masayuki; Suenaga, Midori; Imagawa, Hiroshi; Ito, Takuya; Asakawa, Yoshinori; Ban, Sayaka; Kumada, Toshio; Hashimoto, Toshihiro; Umeyama, Akemi","Opaliferin, a New Polyketide from Cultures of Entomopathogenic Fungus Cordyceps sp. NBRC 106954.","Organic letters","2014","16","18","4695","4697","10.1021/ol502216j","","","0.71073","MoKα","","0.0622","0.0486","","","0.1169","0.1213","","","","","","0.983","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517487","6.9183","0.0008","9.7324","0.0011","10.5986","0.0012","68.2765","0.0013","79.1821","0.0015","79.3466","0.0015","645.93","0.13","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H17 N O4 -","- C14 H17 N O4 -","- C28 H34 N2 O8 -","2","1","","Levinson, Adam M.","Total Synthesis of Aspeverin via an Iodine(III)-Mediated Oxidative Cyclization.","Organic letters","2014","16","18","4904","4907","10.1021/ol5024163","","","0.71073","MoKα","","0.0398","0.0375","","","0.107","0.1104","","","","","","1.017","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517488","14.8053","0.0012","25.638","0.002","6.416","0.0008","90","","90","","90","","2435.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C26 H29 N3 O5 -","- C26 H29 N3 O5 -","- C104 H116 N12 O20 -","4","1","","Zhang, Peng; Mándi, Attila; Li, Xiao-Ming; Du, Feng-Yu; Wang, Jia-Ning; Li, Xin; Kurtán, Tibor; Wang, Bin-Gui","Varioxepine A, a 3H-Oxepine-Containing Alkaloid with a New Oxa-Cage from the Marine Algal-Derived Endophytic Fungus Paecilomyces variotii.","Organic letters","2014","16","18","4834","4837","10.1021/ol502329k","","","1.54178","CuKα","","0.2136","0.0802","","","0.0954","0.1554","","","","","","0.765","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517489","7.2675","0.0004","12.9319","0.0006","9.6419","0.0005","90","","90","","90","","906.17","0.08","100","0.1","100","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","2,3,3a,4-Tetrahydrofuro[3,2-c]isoquinolin-5(9bH)-one","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","","Webb, Nicola J.; Marsden, Stephen P.; Raw, Steven A.","Rhodium(III)-Catalyzed C-H Activation/Annulation with Vinyl Esters as an Acetylene Equivalent.","Organic letters","2014","16","18","4718","4721","10.1021/ol502095z","","","0.7107","MoKα","","0.0661","0.0529","","","0.1146","0.1307","","","","","","1.07","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517490","10.1273","0.0005","12.4095","0.0005","24.1328","0.0009","90","","91.343","0.004","90","","3032","0.2","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tert-Butyl 5-oxo-3a,4,5,9b-tetrahydro-1H-pyrrolo[2,3-c]isoquinoline-3(2H)-carboxylate","","- C16 H20.5 N2 O3.25 -","- C16 H20.5 N2 O3.25 -","- C128 H164 N16 O26 -","8","2","","Webb, Nicola J.; Marsden, Stephen P.; Raw, Steven A.","Rhodium(III)-Catalyzed C-H Activation/Annulation with Vinyl Esters as an Acetylene Equivalent.","Organic letters","2014","16","18","4718","4721","10.1021/ol502095z","","","0.7107","MoKα","","0.0594","0.0461","","","0.1063","0.1149","","","","","","1.016","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517499","8.637","0.0003","9.6961","0.0004","18.1885","0.0008","90","","90","","90","","1523.2","0.11","143","0.1","143","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Br N O3 -","- C17 H14 Br N O3 -","- C68 H56 Br4 N4 O12 -","4","1","","Kuang, Yulong; Lu, Yan; Tang, Yu; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Asymmetric Synthesis of Spiro-epoxyoxindoles by the Catalytic Darzens Reaction of Isatins with Phenacyl Bromides.","Organic letters","2014","16","16","4244","4247","10.1021/ol501941n","","","0.71073","MoKα","","0.0675","0.0543","","","0.1177","0.1247","","","","","","1.032","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517500","7.1926","0.0004","8.6657","0.0003","12.0477","0.0005","90","","97.974","0.005","90","","743.66","0.06","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H12 Br N O3 -","- C17 H12 Br N O3 -","- C34 H24 Br2 N2 O6 -","2","1","","Kuang, Yulong; Lu, Yan; Tang, Yu; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Asymmetric Synthesis of Spiro-epoxyoxindoles by the Catalytic Darzens Reaction of Isatins with Phenacyl Bromides.","Organic letters","2014","16","16","4244","4247","10.1021/ol501941n","","","0.71073","MoKα","","0.058","0.0419","","","0.0724","0.0806","","","","","","1.069","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517501","26.96214","0.00019","12.68483","0.0001","21.88641","0.00018","90.4219","0.0006","104.544","0.0004","89.797","0.0004","7245.32","0.1","100","2","100","2","","","","","","","","5","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","","- C19 H24 Cl N O -","- C19 H24 Cl N O -","- C304 H384 Cl16 N16 O16 -","16","","","Lang, Simon B.; Locascio, Theresa M.; Tunge, Jon A.","Activation of alcohols with carbon dioxide: intermolecular allylation of weakly acidic pronucleophiles.","Organic letters","2014","16","16","4308","4311","10.1021/ol502023d","","","1.54178","CuKα","","0.0862","0.0776","","","0.2045","0.213","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517502","15.633","0.004","11.937","0.003","15.622","0.005","90","","117.347","0.004","90","","2589.4","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N2 O5 S -","- C26 H28 N2 O5 S -","- C104 H112 N8 O20 S4 -","4","1","","Yuan, Yini; Bai, Lu; Nan, Jiang; Liu, Jingjing; Luan, Xinjun","Regiospecific Ficini [2 + 2] Cycloaddition of Ynamides with Cyclic Isoimidium Salts under Catalyst-Free Conditions.","Organic letters","2014","16","16","4316","4319","10.1021/ol5020587","","","0.71073","MoKα","","0.1143","0.066","","","0.1904","0.2416","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517503","11.193","0.0018","12.098","0.002","12.443","0.002","114.492","0.003","94.169","0.003","98.744","0.003","1498.2","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H34 N2 O5 S -","- C31 H34 N2 O5 S -","- C62 H68 N4 O10 S2 -","2","1","","Yuan, Yini; Bai, Lu; Nan, Jiang; Liu, Jingjing; Luan, Xinjun","Regiospecific Ficini [2 + 2] Cycloaddition of Ynamides with Cyclic Isoimidium Salts under Catalyst-Free Conditions.","Organic letters","2014","16","16","4316","4319","10.1021/ol5020587","","","0.71073","MoKα","","0.1428","0.084","","","0.2387","0.3342","","","","","","1.107","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517504","7.359","0.003","12.959","0.003","19.109","0.005","90","","90","","90","","1822.3","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O6 -","- C20 H30 O6 -","- C80 H120 O24 -","4","1","","Li, Yong; Liu, Yun-Bao; Liu, Yang-Lan; Wang, Chen; Wu, Lian-Qiu; Li, Li; Ma, Shuang-Gang; Qu, Jing; Yu, Shi-Shan","Mollanol A, a Diterpenoid with a New C-Nor-D-homograyanane Skeleton from the Fruits of Rhododendron molle.","Organic letters","2014","16","16","4320","4323","10.1021/ol5020653","","","1.54178","CuKα","","0.1277","0.065","","","0.1366","0.195","","","","","","1.003","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517505","6.8656","0.0002","15.7655","0.0005","20.081","0.002","90","","90","","90","","2173.6","0.2","99.8","0.2","99.8","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H38 O9 -","- C20 H38 O9 -","- C80 H152 O36 -","4","1","","Li, Yong; Liu, Yun-Bao; Liu, Yang-Lan; Wang, Chen; Wu, Lian-Qiu; Li, Li; Ma, Shuang-Gang; Qu, Jing; Yu, Shi-Shan","Mollanol A, a Diterpenoid with a New C-Nor-D-homograyanane Skeleton from the Fruits of Rhododendron molle.","Organic letters","2014","16","16","4320","4323","10.1021/ol5020653","","","1.5418","CuKα","","0.039","0.0382","","","0.1019","0.1028","","","","","","1.071","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517506","7.5547","0.0002","13.2602","0.0003","9.458","0.0002","90","","91.7472","0.0014","90","","947.03","0.04","200","","200","","","","","","","","from U of Wollongong","5","P 1 21 1","P 2yb","4","","","","- C18 H20 N2 O4 S2 -","- C18 H20 N2 O4 S2 -","- C36 H40 N4 O8 S4 -","2","1","","Bailey, Stephen J.; Wales, Steven M.; Willis, Anthony C.; Keller, Paul A.","Ring-opening and -expansion of 2,2'-biaziridine: access to diverse enantiopure linear and bicyclic vicinal diamines.","Organic letters","2014","16","16","4344","4347","10.1021/ol502164b","","","0.71073","MoKα","","0.0333","0.0297","","0.0767","0.0747","0.0767","","","","","","0.9999","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517507","7.5629","0.0002","23.846","0.0005","7.9703","0.0001","90","","92.1068","0.0012","90","","1436.43","0.05","200","","200","","","","","","","","from U of Wollongong","5","P 1 21 1","P 2yb","4","","","","- C32 H32 N2 O4 S2 -","- C32 H32 N2 O4 S2 -","- C64 H64 N4 O8 S4 -","2","1","","Bailey, Stephen J.; Wales, Steven M.; Willis, Anthony C.; Keller, Paul A.","Ring-opening and -expansion of 2,2'-biaziridine: access to diverse enantiopure linear and bicyclic vicinal diamines.","Organic letters","2014","16","16","4344","4347","10.1021/ol502164b","","","0.71073","MoKα","","0.0549","0.0383","","0.0843","0.0779","0.0843","","","","","","0.977","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517508","24.6086","0.0007","7.9486","0.0001","15.1824","0.0004","90","","127.722","0.001","90","","2349.02","0.1","200","","200","","","","","","","","from U of Wollongong","5","C 1 2 1","C 2y","5","","","","- C24 H28 N2 O4 S2 -","- C24 H28 N2 O4 S2 -","- C96 H112 N8 O16 S8 -","4","1","","Bailey, Stephen J.; Wales, Steven M.; Willis, Anthony C.; Keller, Paul A.","Ring-opening and -expansion of 2,2'-biaziridine: access to diverse enantiopure linear and bicyclic vicinal diamines.","Organic letters","2014","16","16","4344","4347","10.1021/ol502164b","","","0.71073","MoKα","","0.0414","0.0377","","0.0991","0.096","0.0991","","","","","","0.9907","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517509","7.5263","0.0001","18.5552","0.0003","18.2559","0.0003","90","","101.391","0.001","90","","2499.25","0.07","200","","200","","","","","","","","from U of Wollongong","6","P 1 21 1","P 2yb","4","","","","- C24 H25 Br N2 O4 S2 -","- C24 H25 Br N2 O4 S2 -","- C96 H100 Br4 N8 O16 S8 -","4","2","","Bailey, Stephen J.; Wales, Steven M.; Willis, Anthony C.; Keller, Paul A.","Ring-opening and -expansion of 2,2'-biaziridine: access to diverse enantiopure linear and bicyclic vicinal diamines.","Organic letters","2014","16","16","4344","4347","10.1021/ol502164b","","","0.71073","MoKα","","0.0621","0.0391","","0.0799","0.0723","0.0799","","","","","","0.974","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517510","14.4613","0.0007","11.6161","0.0004","15.1339","0.0008","90","","106.069","0.0017","90","","2442.9","0.2","200","","200","","","","","","","","from U of Wollongong","6","P 1 21 1","P 2yb","4","","","","- C24 H25 Br N2 O4 S2 -","- C24 H25 Br N2 O4 S2 -","- C96 H100 Br4 N8 O16 S8 -","4","2","","Bailey, Stephen J.; Wales, Steven M.; Willis, Anthony C.; Keller, Paul A.","Ring-opening and -expansion of 2,2'-biaziridine: access to diverse enantiopure linear and bicyclic vicinal diamines.","Organic letters","2014","16","16","4344","4347","10.1021/ol502164b","","","0.71073","MoKα","","0.0766","0.0542","","0.1313","0.1183","0.1313","","","","","","0.9888","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517511","10.3346","0.0001","10.9278","0.0002","18.3511","0.0004","90","","90","","90","","2072.47","0.06","200","","200","","","","","","","","from U of Wollongong","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O4 S2 -","- C20 H24 N2 O4 S2 -","- C80 H96 N8 O16 S8 -","4","1","","Bailey, Stephen J.; Wales, Steven M.; Willis, Anthony C.; Keller, Paul A.","Ring-opening and -expansion of 2,2'-biaziridine: access to diverse enantiopure linear and bicyclic vicinal diamines.","Organic letters","2014","16","16","4344","4347","10.1021/ol502164b","","","0.71073","MoKα","","0.0389","0.0339","","0.0867","0.0837","0.0867","","","","","","0.9978","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517512","14.105","0.0011","24.9328","0.0018","25.654","0.002","90.9","0.002","102.396","0.002","104.559","0.002","8505.5","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H32 O5 Si -","- C20 H32 O5 Si -","- C320 H512 O80 Si16 -","16","8","","Preindl, Johannes; Leitner, Christian; Baldauf, Simon; Mulzer, Johann","A short access to the skeleton of elisabethin a and formal syntheses of elisapterosin B and colombiasin a.","Organic letters","2014","16","16","4276","4279","10.1021/ol501998y","","","0.71073","MoKα","","0.1249","0.0593","","","0.1095","0.1333","","","","","","1.004","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517549","4.7073","0.0002","28.2422","0.001","8.1072","0.0003","90","","105.483","0.001","90","","1038.69","0.07","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N4 -","- C26 H28 N4 -","- C52 H56 N8 -","2","0.5","","Tang, Ruizhi; Zhang, Fan; Fu, Yubin; Xu, Qing; Wang, Xinyang; Zhuang, Xiaodong; Wu, Dongqing; Giannakopoulos, Angelos; Beljonne, David; Feng, Xinliang","Efficient approach to electron-deficient 1,2,7,8-tetraazaperylene derivatives.","Organic letters","2014","16","18","4726","4729","10.1021/ol502109y","","","0.71073","MoKα","","0.0442","0.0344","","","0.0907","0.0999","","","","","","1.04","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517550","10.6719","0.0003","19.4897","0.0005","10.9956","0.0003","90","","99.063","0.002","90","","2258.45","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N O4 -","- C27 H23 N O4 -","- C108 H92 N4 O16 -","4","1","","Ma, Dengke; Qiu, Youai; Dai, Jianxin; Fu, Chunling; Ma, Shengming","N-heterocyclic carbene-promoted annulation reaction of allenals with chalcones: synthesis of polysubstituted pyranyl aldehydes.","Organic letters","2014","16","18","4742","4745","10.1021/ol5021509","","","1.54184","CuKα","","0.0498","0.0391","","","0.0996","0.1092","","","","","","1.02","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517551","28.281","0.002","6.5273","0.0006","38.133","0.004","90","","107.759","0.01","90","","6703.9","1.1","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 N O4 -","- C27 H23 N O4 -","- C324 H276 N12 O48 -","12","3","","Ma, Dengke; Qiu, Youai; Dai, Jianxin; Fu, Chunling; Ma, Shengming","N-heterocyclic carbene-promoted annulation reaction of allenals with chalcones: synthesis of polysubstituted pyranyl aldehydes.","Organic letters","2014","16","18","4742","4745","10.1021/ol5021509","","","1.54184","CuKα","","0.1724","0.0723","","","0.1629","0.2235","","","","","","1.033","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517552","13.1313","0.0015","19.0446","0.0014","12.9434","0.0016","90","","111.691","0.014","90","","3007.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N4 O5 -","- C30 H28 N4 O5 -","- C120 H112 N16 O20 -","4","1","","Ma, Dengke; Qiu, Youai; Dai, Jianxin; Fu, Chunling; Ma, Shengming","N-heterocyclic carbene-promoted annulation reaction of allenals with chalcones: synthesis of polysubstituted pyranyl aldehydes.","Organic letters","2014","16","18","4742","4745","10.1021/ol5021509","","","0.71073","MoKα","","0.1166","0.0682","","","0.1992","0.2243","","","","","","1.024","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517553","14.1406","0.001","12.2673","0.0011","16.5856","0.0015","90","","114.591","0.003","90","","2616.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 N O4 S2 -","- C27 H29 N O4 S2 -","- C108 H116 N4 O16 S8 -","4","1","","Purkait, Nibadita; Okumura, Sota; Souto, José A; Muñiz, Kilian","Hypervalent iodine mediated oxidative amination of allenes.","Organic letters","2014","16","18","4750","4753","10.1021/ol502179z","","","0.71073","MoKα","","0.0673","0.0525","","","0.1384","0.1551","","","","","","1.032","","","","has coordinates,has disorder","301776","2025-08-18","14:47:51",""
"1517554","13.3744","0.0006","13.5682","0.0007","14.1249","0.0007","110.375","0.0013","91.9896","0.0014","94.6382","0.0013","2389.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44.75 H43.5 Cl3.5 N2 O8 S4 -","- C44.75 H43.5 Cl3.5 N2 O8 S4 -","- C89.5 H87 Cl7 N4 O16 S8 -","2","1","","Purkait, Nibadita; Okumura, Sota; Souto, José A; Muñiz, Kilian","Hypervalent iodine mediated oxidative amination of allenes.","Organic letters","2014","16","18","4750","4753","10.1021/ol502179z","","","0.71073","MoKα","","0.077","0.0651","","","0.1787","0.1872","","","","","","1.087","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1517555","9.8068","0.0005","10.2636","0.0005","12.403","0.0006","89.2848","0.0019","80.603","0.002","62.3352","0.0018","1087.98","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23 N O4 S2 -","- C24 H23 N O4 S2 -","- C48 H46 N2 O8 S4 -","2","1","","Purkait, Nibadita; Okumura, Sota; Souto, José A; Muñiz, Kilian","Hypervalent iodine mediated oxidative amination of allenes.","Organic letters","2014","16","18","4750","4753","10.1021/ol502179z","","","0.71073","MoKα","","0.0372","0.0347","","","0.0921","0.0947","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517556","12.6981","0.0007","13.6452","0.0008","22.4861","0.0012","104.258","0.0017","92.0656","0.0016","116.305","0.0015","3337.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H20 Cl N O4 S2 -","- C23 H20 Cl N O4 S2 -","- C138 H120 Cl6 N6 O24 S12 -","6","3","","Purkait, Nibadita; Okumura, Sota; Souto, José A; Muñiz, Kilian","Hypervalent iodine mediated oxidative amination of allenes.","Organic letters","2014","16","18","4750","4753","10.1021/ol502179z","","","0.71073","MoKα","","0.0485","0.04","","","0.1377","0.148","","","","","","1.135","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517557","6.3965","0.0013","9.8109","0.0015","19.436","0.002","75.475","0.014","80.285","0.016","73.29","0.015","1124.7","0.3","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H58 O2 -","- C60 H58 O2 -","- C60 H58 O2 -","1","0.5","","Shen, Junjian; Yuan, Dafei; Qiao, Yan; Shen, Xingxing; Zhang, Zhongbo; Zhong, Yuwu; Yi, Yuanping; Zhu, Xiaozhang","Diaceno[a,e]pentalenes from Homoannulations of o-Alkynylaryliodides Utilizing a Unique Pd(OAc)2/n-Bu4NOAc Catalytic Combination.","Organic letters","2014","16","18","4924","4927","10.1021/ol502440d","","","0.71075","MoKα","","0.1289","0.0905","","","0.2541","0.2893","","","","","","1.065","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517558","8.1663","0.0016","18.219","0.004","7.7277","0.0015","90","","112.71","0.03","90","","1060.6","0.4","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 -","- C28 H34 -","- C56 H68 -","2","0.5","","Shen, Junjian; Yuan, Dafei; Qiao, Yan; Shen, Xingxing; Zhang, Zhongbo; Zhong, Yuwu; Yi, Yuanping; Zhu, Xiaozhang","Diaceno[a,e]pentalenes from Homoannulations of o-Alkynylaryliodides Utilizing a Unique Pd(OAc)2/n-Bu4NOAc Catalytic Combination.","Organic letters","2014","16","18","4924","4927","10.1021/ol502440d","","","0.71073","MoKα","","0.0667","0.0641","","","0.145","0.1473","","","","","","1.071","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517559","10.498","0.003","7.559","0.004","23.466","0.01","90","","90","","90","","1862.1","1.4","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C28 H16 F2 -","- C28 H16 F2 -","- C112 H64 F8 -","4","0.5","","Shen, Junjian; Yuan, Dafei; Qiao, Yan; Shen, Xingxing; Zhang, Zhongbo; Zhong, Yuwu; Yi, Yuanping; Zhu, Xiaozhang","Diaceno[a,e]pentalenes from Homoannulations of o-Alkynylaryliodides Utilizing a Unique Pd(OAc)2/n-Bu4NOAc Catalytic Combination.","Organic letters","2014","16","18","4924","4927","10.1021/ol502440d","","","0.71073","MoKα","","0.0867","0.0821","","","0.1397","0.1414","","","","","","1.367","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517560","8.85","0.003","17.876","0.006","8.597","0.003","90","","107.197","0.005","90","","1299.3","0.8","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 -","- C36 H34 -","- C72 H68 -","2","0.5","","Shen, Junjian; Yuan, Dafei; Qiao, Yan; Shen, Xingxing; Zhang, Zhongbo; Zhong, Yuwu; Yi, Yuanping; Zhu, Xiaozhang","Diaceno[a,e]pentalenes from Homoannulations of o-Alkynylaryliodides Utilizing a Unique Pd(OAc)2/n-Bu4NOAc Catalytic Combination.","Organic letters","2014","16","18","4924","4927","10.1021/ol502440d","","","0.71073","MoKα","","0.1075","0.1006","","","0.2371","0.242","","","","","","1.095","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517561","13.7795","0.0012","6.8296","0.0004","14.5782","0.0011","90","","111.208","0.009","90","","1279.02","0.18","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","","Yu, Wenlong; Chen, Jia; Gao, Kun; Liu, Zhanxiang; Zhang, Yuhong","Amide-Assisted Acetoxylation of Vinyl C(sp(2))-H Bonds by Rhodium Catalysis.","Organic letters","2014","16","18","4870","4873","10.1021/ol502378c","","","0.71073","MoKα","","0.0687","0.0455","","","0.1202","0.1365","","","","","","1.036","","","","has coordinates,has disorder","301776","2025-08-18","14:47:51",""
"1517562","10.298","0.0016","19.691","0.003","22.267","0.004","73.896","0.002","78.353","0.002","87.604","0.002","4248.3","1.2","153","2","153","2","","","","","","","","2","P -1","-P 1","2","","","","- C29 H28 -","- C29 H28 -","- C232 H224 -","8","4","","Kinoshita, Hidenori; Tohjima, Takayuki; Miura, Katsukiyo","Hydroalumination-Triggered Cyclization of Silylated 1,3-Dien-5-ynes to Polysubstituted Benzenes.","Organic letters","2014","16","18","4762","4765","10.1021/ol5022096","","","0.71073","MoKα","","0.1189","0.072","","","0.1896","0.2143","","","","","","1.133","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517563","6.4976","0.0005","19.873","0.0014","17.4966","0.0013","90","","97.696","0.001","90","","2238.9","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 Si -","- C27 H32 Si -","- C108 H128 Si4 -","4","1","","Kinoshita, Hidenori; Tohjima, Takayuki; Miura, Katsukiyo","Hydroalumination-Triggered Cyclization of Silylated 1,3-Dien-5-ynes to Polysubstituted Benzenes.","Organic letters","2014","16","18","4762","4765","10.1021/ol5022096","","","0.71073","MoKα","","0.0443","0.041","","","0.1605","0.1663","","","","","","1.309","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517564","8.7161","0.0004","44.918","0.002","5.2061","0.0003","90","","90","","90","","2038.24","0.18","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H19 F3 N2 O -","- C24 H19 F3 N2 O -","- C96 H76 F12 N8 O4 -","4","1","","Prieto, Alexis; Jeamet, Emeric; Monteiro, Nuno; Bouyssi, Didier; Baudoin, Olivier","Copper-Catalyzed β-Trifluoromethylation of Conjugated Hydrazones.","Organic letters","2014","16","18","4770","4773","10.1021/ol5022228","","","0.71069","MoKα","","0.0853","0.062","","0.0545","0.0466","0.0437","","","","","","1.2169","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517565","9.1115","0.0008","9.831","0.0009","11.399","0.0012","82.792","0.008","67.088","0.009","63.638","0.009","841.31","0.17","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 F3 N2 -","- C18 H17 F3 N2 -","- C36 H34 F6 N4 -","2","1","","Prieto, Alexis; Jeamet, Emeric; Monteiro, Nuno; Bouyssi, Didier; Baudoin, Olivier","Copper-Catalyzed β-Trifluoromethylation of Conjugated Hydrazones.","Organic letters","2014","16","18","4770","4773","10.1021/ol5022228","","","0.71069","MoKα","","0.074","0.056","","0.0982","0.0788","0.0757","","","","","","1.0559","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517566","14.5617","0.0004","9.5319","0.0003","14.8718","0.0004","90","","97.583","0.003","90","","2046.16","0.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N3 O5 -","- C21 H23 N3 O5 -","- C84 H92 N12 O20 -","4","1","","Zhang, Huan-Huan; Luo, Yong-Chun; Wang, Hua-Peng; Chen, Wei; Xu, Peng-Fei","TiCl4 Promoted Formal [3 + 3] Cycloaddition of Cyclopropane 1,1-Diesters with Azides: Synthesis of Highly Functionalized Triazinines and Azetidines.","Organic letters","2014","16","18","4896","4899","10.1021/ol5024079","","","0.7107","MoKα","","0.0777","0.0539","","","0.1592","0.186","","","","","","1.087","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517607","8.747","0.0017","11.114","0.002","13.238","0.003","105.88","0.03","91.47","0.03","101.15","0.03","1210.2","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H30 N2 O6 -","- C25 H30 N2 O6 -","- C50 H60 N4 O12 -","2","1","","Su, Youla; Zhou, Haipin; Chen, Jiaxuan; Xu, Jinyi; Wu, Xiaoming; Lin, Aijun; Yao, Hequan","Solvent-Controlled Switchable C-H Alkenylation of 4-Aryl-1H-pyrrole-3-carboxylates: Application to the Total Synthesis of (±)-Rhazinilam.","Organic letters","2014","16","18","4884","4887","10.1021/ol5023933","","","0.71073","MoKα","","0.1032","0.0671","","","0.1569","0.1771","","","","","","1.002","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517608","9.75","0.0019","9.802","0.002","12.753","0.003","90.65","0.03","104.03","0.03","92.9","0.03","1180.6","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H30 N2 O6 -","- C25 H30 N2 O6 -","- C50 H60 N4 O12 -","2","1","","Su, Youla; Zhou, Haipin; Chen, Jiaxuan; Xu, Jinyi; Wu, Xiaoming; Lin, Aijun; Yao, Hequan","Solvent-Controlled Switchable C-H Alkenylation of 4-Aryl-1H-pyrrole-3-carboxylates: Application to the Total Synthesis of (±)-Rhazinilam.","Organic letters","2014","16","18","4884","4887","10.1021/ol5023933","","","0.71073","MoKα","","0.1229","0.0666","","","0.1518","0.1753","","","","","","1","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517662","18.8157","0.0016","10.5029","0.0009","15.0591","0.0015","90","","90","","90","","2976","0.5","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H13 N O4 S -","- C16 H13 N O4 S -","- C128 H104 N8 O32 S8 -","8","1","","Reddy, Mallu Chenna; Jeganmohan, Masilamani","Ruthenium-Catalyzed Cyclization of Aromatic Nitriles with Alkenes: Stereoselective Synthesis of (Z)-3-Methyleneisoindolin-1-ones.","Organic letters","2014","16","18","4866","4869","10.1021/ol502375p","","","0.71073","MoKα","","0.0651","0.0397","","","0.1231","0.1462","","","","","","1.004","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517663","8.2359","0.0005","8.5523","0.0007","9.8068","0.0007","82.635","0.005","75.399","0.004","78.539","0.005","652.89","0.08","88.2","","88.2","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C34 H32 N4 O2 -","2","1","","Soeta, Takahiro; Ohgai, Takahiro; Sakai, Takahiro; Fujinami, Shuhei; Ukaji, Yutaka","Ring Enlargement Reaction of C,N-Cyclic-N'-acyl Azomethine Imines with Sulfonium Ylide: An Efficient Synthesis of 3-Benzazepine Derivatives.","Organic letters","2014","16","18","4854","4857","10.1021/ol502347n","","","0.71073","MoKα","","","0.0517","","","","0.0865","","","","","","1.584","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517664","62.156","0.003","6.5176","0.0003","18.9764","0.0008","90","","101.552","0.003","90","","7531.8","0.6","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H45 Cl O -","- C27 H45 Cl O -","- C324 H540 Cl12 O12 -","12","3","","Jing, Yuanyuan; Daniliuc, Constantin G.; Studer, Armido","Direct Conversion of Alcohols to α-Chloro Aldehydes and α-Chloro Ketones.","Organic letters","2014","16","18","4932","4935","10.1021/ol5024568","","","1.54178","CuKα","","0.153","0.0753","","","0.1762","0.2199","","","","","","1.001","","","","has coordinates,has disorder","301776","2025-08-18","14:47:51",""
"1517665","8.75713","0.00016","15.9322","0.0002","13.1649","0.0002","90","","108.299","0.0019","90","","1743.89","0.05","110.05","0.1","110.05","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C84 H88 N8 O12 -","4","1","","Drouhin, Pauline; Hurst, Timothy E.; Whitwood, Adrian C.; Taylor, Richard J. K.","Copper-Mediated Construction of Spirocyclic Bis-oxindoles via a Double C-H, Ar-H Coupling Process.","Organic letters","2014","16","18","4900","4903","10.1021/ol5024129","","x-ray","0.71073","MoKα","","0.057","0.0496","","","0.1284","0.134","","","","","","1.044","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517666","15.1668","0.001","13.0868","0.0003","18.4536","0.0008","90","","114.242","0.007","90","","3339.8","0.3","110.05","0.1","110.05","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O3 -","- C21 H18 N2 O3 -","- C168 H144 N16 O24 -","8","2","","Drouhin, Pauline; Hurst, Timothy E.; Whitwood, Adrian C.; Taylor, Richard J. K.","Copper-Mediated Construction of Spirocyclic Bis-oxindoles via a Double C-H, Ar-H Coupling Process.","Organic letters","2014","16","18","4900","4903","10.1021/ol5024129","","x-ray","0.7107","MoKα","","0.0716","0.0478","","","0.1092","0.1228","","","","","","1.07","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517667","7.7526","0.0003","16.2826","0.0007","14.5413","0.0008","90","","96.448","0.005","90","","1823.97","0.15","110.05","0.1","110.05","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O3 -","- C22 H22 N2 O3 -","- C88 H88 N8 O12 -","4","1","","Drouhin, Pauline; Hurst, Timothy E.; Whitwood, Adrian C.; Taylor, Richard J. K.","Copper-Mediated Construction of Spirocyclic Bis-oxindoles via a Double C-H, Ar-H Coupling Process.","Organic letters","2014","16","18","4900","4903","10.1021/ol5024129","","x-ray","0.71073","MoKα","","0.1533","0.0928","","","0.2206","0.2563","","","","","","1.057","","","","has coordinates,has disorder","301776","2025-08-18","14:47:51",""
"1517668","9.00239","0.00019","14.4646","0.0003","27.9468","0.0006","90","","90","","90","","3639.12","0.13","110.05","0.1","110.05","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H22 N2 O3 -","- C22 H22 N2 O3 -","- C176 H176 N16 O24 -","8","1","","Drouhin, Pauline; Hurst, Timothy E.; Whitwood, Adrian C.; Taylor, Richard J. K.","Copper-Mediated Construction of Spirocyclic Bis-oxindoles via a Double C-H, Ar-H Coupling Process.","Organic letters","2014","16","18","4900","4903","10.1021/ol5024129","","x-ray","0.71073","MoKα","","0.0547","0.0519","","","0.137","0.1392","","","","","","1.132","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517669","8.64219","0.00011","11.74898","0.00019","21.3609","0.0003","90","","90.4435","0.0012","90","","2168.85","0.05","110.05","0.1","110.05","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 N2 O4 -","- C25 H26 N2 O4 -","- C100 H104 N8 O16 -","4","1","","Drouhin, Pauline; Hurst, Timothy E.; Whitwood, Adrian C.; Taylor, Richard J. K.","Copper-Mediated Construction of Spirocyclic Bis-oxindoles via a Double C-H, Ar-H Coupling Process.","Organic letters","2014","16","18","4900","4903","10.1021/ol5024129","","x-ray","0.71073","MoKα","","0.0526","0.0433","","","0.1077","0.1138","","","","","","1.039","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517670","8.8304","0.0004","9.0124","0.0003","14.1564","0.0004","102.491","0.003","92.693","0.003","106.893","0.004","1045.18","0.07","110.05","0.1","110.05","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H26 N2 O4 -","- C25 H26 N2 O4 -","- C50 H52 N4 O8 -","2","1","","Drouhin, Pauline; Hurst, Timothy E.; Whitwood, Adrian C.; Taylor, Richard J. K.","Copper-Mediated Construction of Spirocyclic Bis-oxindoles via a Double C-H, Ar-H Coupling Process.","Organic letters","2014","16","18","4900","4903","10.1021/ol5024129","","x-ray","0.7107","MoKα","","0.052","0.0432","","","0.109","0.1149","","","","","","1.064","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517798","9.067","0.002","12.47","0.003","13.647","0.003","63.737","0.004","85.712","0.004","73.393","0.004","1323.6","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H25 Cl2 N3 O5 -","- C30 H25 Cl2 N3 O5 -","- C60 H50 Cl4 N6 O10 -","2","1","","Li, Ping; Parker, Trent M.; Hwang, Jungwun; Deng, Fengyuan; Smith, Mark D.; Pellechia, Perry J.; Sherrill, C. David; Shimizu, Ken D.","The CH-π Interactions of Methyl Ethers as a Model for Carbohydrate-N-Heteroarene Interactions.","Organic letters","2014","16","19","5064","5067","10.1021/ol502418k","","","0.71073","MoKα","","0.0552","0.0405","","","0.0931","0.1003","","","","","","0.989","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517799","17.478","0.002","15.8115","0.0019","9.5216","0.0012","90","","100.376","0.003","90","","2588.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 N4 O5 -","- C31 H26 N4 O5 -","- C124 H104 N16 O20 -","4","1","","Li, Ping; Parker, Trent M.; Hwang, Jungwun; Deng, Fengyuan; Smith, Mark D.; Pellechia, Perry J.; Sherrill, C. David; Shimizu, Ken D.","The CH-π Interactions of Methyl Ethers as a Model for Carbohydrate-N-Heteroarene Interactions.","Organic letters","2014","16","19","5064","5067","10.1021/ol502418k","","","0.71073","MoKα","","0.0543","0.0382","","","0.0873","0.1021","","","","","","0.976","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517800","14.233","0.002","16.18","0.003","9.9786","0.0017","90","","90.08","0.003","90","","2298","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 N2 O5 -","- C30 H24 N2 O5 -","- C120 H96 N8 O20 -","4","1","","Li, Ping; Parker, Trent M.; Hwang, Jungwun; Deng, Fengyuan; Smith, Mark D.; Pellechia, Perry J.; Sherrill, C. David; Shimizu, Ken D.","The CH-π Interactions of Methyl Ethers as a Model for Carbohydrate-N-Heteroarene Interactions.","Organic letters","2014","16","19","5064","5067","10.1021/ol502418k","","","0.71073","MoKα","","0.0612","0.0477","","","0.1101","0.1186","","","","","","1.017","","","","has coordinates,has disorder","301776","2025-08-18","14:47:52",""
"1517801","5.7333","0.0004","11.7399","0.0009","11.8211","0.0009","90","","101.702","0.004","90","","779.12","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C38 H38 N2 O4 -","2","1","","Maji, Tapan; Tunge, Jon A.","Catalytic α-Monoallylation of Aryl Acetonitriles.","Organic letters","2014","16","19","5072","5075","10.1021/ol5024294","","","1.54178","CuKα","","0.0474","0.0455","","","0.1206","0.1221","","","","","","1.102","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517814","7.58","0.005","12.228","0.007","20.041","0.013","97.8","0.03","97","0.02","107.58","0.04","1728.1","1.9","150","","150","","","","","","","","","4","P 1","P 1","1","","","","- C36 H40 Br2 O6 -","- C36 H40 Br2 O6 -","- C72 H80 Br4 O12 -","2","2","","Kanoh, Naoki; Kawamata, Ayano; Itagaki, Tomohiro; Miyazaki, Yuta; Yahata, Kenzo; Kwon, Eunsang; Iwabuchi, Yoshiharu","A Concise and Unified Strategy for Synthesis of the C1-C18 Macrolactone Fragments of FD-891, FD-892 and Their Analogues: Formal Total Synthesis of FD-891.","Organic letters","2014","16","19","5216","5219","10.1021/ol502633j","","","0.71075","MoKα","","","0.0518","","","","0.1085","","","","","","0.948","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517815","11.9525","0.0006","7.8235","0.0005","16.048","0.001","90","","108.111","0.007","90","","1426.31","0.16","294.29","0.1","294.29","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H29 Cl N2 O7 S -","- C30 H29 Cl N2 O7 S -","- C60 H58 Cl2 N4 O14 S2 -","2","1","","Yang, Yu-Jie; Zhang, Hai-Rui; Zhu, Shi-Ya; Zhu, Ping; Hui, Xin-Ping","Highly Stereoselective Synthesis of Functionalized Pyrrolo[3,2-c]quinolines via N-Heterocyclic Carbene Catalyzed Cascade Sequence.","Organic letters","2014","16","19","5048","5051","10.1021/ol5023917","","","0.71","MoKα","","0.0552","0.0441","","","0.0896","0.0994","","","","","","1.042","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517816","8.97246","0.00007","14.38622","0.00013","10.17414","0.00008","90","","100.045","0.0008","90","","1293.15","0.019","99.9","0.14","99.9","0.14","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H16 N2 O2 S -","- C13 H16 N2 O2 S -","- C52 H64 N8 O8 S4 -","4","2","","Antolak, Stephanie A.; Yao, Zhong-Ke; Richoux, Gary M.; Slebodnick, Carla; Carlier, Paul R.","Enantioselective Deprotonative Ring Contraction of N1-Methyl-N4-Boc-benzo[e][1,4]diazepine-2,5-diones.","Organic letters","2014","16","19","5204","5207","10.1021/ol502586n","","x-ray","1.54184","CuKα","","0.035","0.0346","","","0.0959","0.0965","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517817","10.5399","0.00016","16.39067","0.00019","10.65777","0.00014","90","","102.33","0.0014","90","","1798.72","0.04","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C72 H96 N8 O16 -","4","2","","Antolak, Stephanie A.; Yao, Zhong-Ke; Richoux, Gary M.; Slebodnick, Carla; Carlier, Paul R.","Enantioselective Deprotonative Ring Contraction of N1-Methyl-N4-Boc-benzo[e][1,4]diazepine-2,5-diones.","Organic letters","2014","16","19","5204","5207","10.1021/ol502586n","","","1.54184","CuKα","","0.0407","0.0355","","","0.0915","0.1107","","","","","","1.1","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517818","9.05087","0.00007","13.52501","0.00011","18.54998","0.00014","90","","90","","90","","2270.76","0.03","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 N2 O6 -","- C22 H30 N2 O6 -","- C88 H120 N8 O24 -","4","1","","Antolak, Stephanie A.; Yao, Zhong-Ke; Richoux, Gary M.; Slebodnick, Carla; Carlier, Paul R.","Enantioselective Deprotonative Ring Contraction of N1-Methyl-N4-Boc-benzo[e][1,4]diazepine-2,5-diones.","Organic letters","2014","16","19","5204","5207","10.1021/ol502586n","","","1.54184","CuKα","","0.0303","0.0295","","","0.0755","0.0763","","","","","","1.052","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517819","11.7191","0.0002","14.4137","0.0003","22.2809","0.0004","90","","90","","90","","3763.59","0.12","99.9","0.14","99.9","0.14","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 N2 O4 -","- C19 H26 N2 O4 -","- C152 H208 N16 O32 -","8","2","","Antolak, Stephanie A.; Yao, Zhong-Ke; Richoux, Gary M.; Slebodnick, Carla; Carlier, Paul R.","Enantioselective Deprotonative Ring Contraction of N1-Methyl-N4-Boc-benzo[e][1,4]diazepine-2,5-diones.","Organic letters","2014","16","19","5204","5207","10.1021/ol502586n","","","1.54184","CuKα","","0.0402","0.0382","","","0.0922","0.094","","","","","","1.069","","","","has coordinates,has disorder","301776","2025-08-18","14:47:52",""
"1517827","7.737","0.003","10.541","0.004","19.242","0.008","90","","90","","90","","1569.3","1.1","293","2","293","2","","","","","","","","4","P 21 a b","P -2b 2a","29","","","","- C19 H12 Cl2 N2 -","- C19 H12 Cl2 N2 -","- C76 H48 Cl8 N8 -","4","1","","Qian, Guangyin; Hong, Xiaohu; Liu, Bingxin; Mao, Hong; Xu, Bin","Rhodium-catalyzed regioselective C-h chlorination of 7-azaindoles using 1,2-dichloroethane.","Organic letters","2014","16","20","5294","5297","10.1021/ol502447w","","","0.71073","MoKα","","0.0506","0.0432","","","0.1124","0.1211","","","","","","1.036","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517828","31.994","0.004","6.1028","0.0007","16.831","0.002","90","","98.394","0.006","90","","3251.1","0.7","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C33 H26 N4 O13 -","- C33 H26 N4 O13 -","- C132 H104 N16 O52 -","4","1","","Fernández de la Pradilla, Roberto; Velado, Marina; Colomer, Ignacio; Simal, Carmen; Viso, Alma; Gornitzka, Heinz; Hemmert, Catherine","Remote stereocontrol in the synthesis of acyclic 1,4-diols and 1,4-aminoalcohols from 2-sulfinyl dienes.","Organic letters","2014","16","19","5200","5203","10.1021/ol502592y","","","0.71073","MoKα","","0.1447","0.0491","","","0.0857","0.1117","","","","","","0.965","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517829","7.9901","0.0002","12.9361","0.0003","15.1823","0.0004","90","","90","","90","","1569.25","0.07","296.7","0.9","296.7","0.9","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 N3 -","- C20 H15 N3 -","- C80 H60 N12 -","4","1","","Cai, Zhong-Jian; Lu, Xin-Mou; Zi, You; Yang, Chao; Shen, Ling-Jie; Li, Jian; Wang, Shun-Yi; Ji, Shun-Jun","I2/TBPB Mediated Oxidative Reaction of N-Tosylhydrazones with Anilines: Practical Construction of 1,4-Disubstituted 1,2,3-Triazoles under Metal-Free and Azide-Free Conditions.","Organic letters","2014","16","19","5108","5111","10.1021/ol502431b","","","0.71073","MoKα","","0.0725","0.0692","","","0.1871","0.1905","","","","","","1.058","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517830","7.3641","0.0005","5.6583","0.0004","31.688","0.002","90","","93.358","0.006","90","","1318.12","0.15","291.47","0.1","291.47","0.1","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C15 H12 Br N3 -","- C15 H11 Br N3 -","- C60 H44 Br4 N12 -","4","0.5","","Cai, Zhong-Jian; Lu, Xin-Mou; Zi, You; Yang, Chao; Shen, Ling-Jie; Li, Jian; Wang, Shun-Yi; Ji, Shun-Jun","I2/TBPB Mediated Oxidative Reaction of N-Tosylhydrazones with Anilines: Practical Construction of 1,4-Disubstituted 1,2,3-Triazoles under Metal-Free and Azide-Free Conditions.","Organic letters","2014","16","19","5108","5111","10.1021/ol502431b","","","0.71073","MoKα","","0.0945","0.0712","","","0.1841","0.2115","","","","","","1.05","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517831","9.4179","0.001","9.952","0.0012","11.0905","0.0012","94.288","0.009","108.773","0.009","108.953","0.01","912","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H19 Br -","- C24 H19 Br -","- C48 H38 Br2 -","2","1","","Wang, Minyan; Li, Jing; Fu, Chunling; Ma, Shengming","Electrophilic Cyclizations of Diaryl-2,3-allenyl Ethers with N-Bromosuccinimide: En Route to 2-Bromonaphthalenes.","Organic letters","2014","16","19","4976","4979","10.1021/ol502100k","","","0.71073","MoKα","","0.083","0.0506","","","0.0925","0.1133","","","","","","1.125","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517847","12.5635","0.0006","21.3915","0.0009","7.2398","0.0004","90","","99.334","0.004","90","","1919.95","0.16","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 O5 -","- C23 H26 O5 -","- C92 H104 O20 -","4","1","","Peng, Xing-Rong; Liu, Jie-Qing; Wan, Luo-Sheng; Li, Xiao-Nian; Yan, Yu-Xin; Qiu, Ming-Hua","Four New Polycyclic Meroterpenoids from Ganoderma cochlear.","Organic letters","2014","16","20","5262","5265","10.1021/ol5023189","","","1.54178","CuKα","","0.2671","0.1731","","","0.3829","0.483","","","","","","1.729","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517848","38.5889","0.0017","38.5889","0.0017","6.4839","0.0003","90","","90","","120","","8361.6","0.6","173","0.1","173","0.1","","","","","","","","4","P 65","P 65","170","","","","- C27 H31 N2 O5 -","- C27 H31 N2 O5 -","- C324 H372 N24 O60 -","12","2","","Ma, Yunxia; Zhang, Gen; Zhang, Jinlong; Yang, Dongxu; Wang, Rui","Organocatalyzed Asymmetric Oxidative Coupling of α-Csp(3)-H of Tertiary Amines to α,β-Unsaturated γ-Butyrolactam: Synthesis of MBH-Type Products.","Organic letters","2014","16","20","5358","5361","10.1021/ol5025597","","","1.54184","CuKα","","0.106","0.0898","","","0.2453","0.2669","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517866","8.618","0.001","16.963","0.001","10.051","0.001","90","","95.087","0.003","90","","1463.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(1,2,3,8a,9,9a,10,10a-octahydroanthracen-9-yl)morpholine","","- C18 H23 N O -","- C18 H23 N O -","- C72 H92 N4 O4 -","4","1","","Gobé, Valérian; Retailleau, Pascal; Guinchard, Xavier","Domino Formation of Enamines - Intramolecular Cyclizations to 1-Aminotetralins from γ-Arylallene Aldehydes and Amines.","Organic letters","2014","16","20","5438","5441","10.1021/ol5026712","","","0.71073","MoKα","","0.0871","0.0486","","","0.1168","0.1386","","","","","","1.026","","","","has coordinates,has disorder","301776","2025-08-18","14:47:52",""
"1517867","12.7827","0.0008","12.7827","0.0008","13.7419","0.0018","90","","90","","90","","2245.4","0.4","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C27 H22 Cl N O4 -","- C27 H20 Cl N O4 -","- C108 H80 Cl4 N4 O16 -","4","1","","He, Zhao-Lin; Liu, Tang-Lin; Tao, Haiyan; Wang, Chun-Jiang","Correction to A Facile Access to Enantioenriched Isoindolines via One-Pot Sequential Cu(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition/Oxidation.","Organic letters","2014","16","20","5506","5507","10.1021/ol5025458","","","0.71073","MoKα","","0.0434","0.032","","","0.074","0.0806","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517868","8.9427","0.0014","24.682","0.004","9.8606","0.0016","90","","97.843","0.002","90","","2156.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Cl N O4 -","- C23 H24 Cl N O4 -","- C92 H96 Cl4 N4 O16 -","4","1","","He, Zhao-Lin; Liu, Tang-Lin; Tao, Haiyan; Wang, Chun-Jiang","Correction to A Facile Access to Enantioenriched Isoindolines via One-Pot Sequential Cu(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition/Oxidation.","Organic letters","2014","16","20","5506","5507","10.1021/ol5025458","","","0.71073","MoKα","","0.0641","0.045","","","0.0965","0.1077","","","","","","0.956","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517891","5.7842","0.0015","9.566","0.003","15.111","0.004","98.405","0.004","95.963","0.004","104.965","0.004","790.3","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C36 H42 N2 O8 -","2","1","","Peng, Xianglong; Wang, Weiguo; Jiang, Chao; Sun, Di; Xu, Zhenghu; Tung, Chen-Ho","Strain-promoted oxidative annulation of arynes and cyclooctynes with benzamides: palladium-catalyzed C-h/n-h activation for the synthesis of N-heterocycles.","Organic letters","2014","16","20","5354","5357","10.1021/ol5025426","","","0.71073","MOKα","","0.0678","0.0452","","","0.1184","0.1354","","","","","","1.024","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517900","14.053","0.002","6.2308","0.0009","14.438","0.002","90","","95.626","0.003","90","","1258.1","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H24 Br Cl O6 -","- C28 H24 Br Cl O6 -","- C56 H48 Br2 Cl2 O12 -","2","1","","Meninno, Sara; Fuoco, Tiziana; Tedesco, Consiglia; Lattanzi, Alessandra","Straightforward Enantioselective Access to γ-Butyrolactones Bearing an All-Carbon β-Quaternary Stereocenter.","Organic letters","2014","16","18","4746","4749","10.1021/ol502148a","","","0.71073","MoKα","","0.1182","0.0608","","","0.132","0.1902","","","","","","0.75","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517901","12.5831","0.0017","38.828","0.005","10.3741","0.0014","90","","126.514","0.009","90","","4073.6","1.1","150","","150","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H21 N O2 -","- C27 H21 N O2 -","- C216 H168 N8 O16 -","8","2","","Zhang, Xuan; Si, Weili; Bao, Ming; Asao, Naoki; Yamamoto, Yoshinori; Jin, Tienan","Rh(III)-Catalyzed Regioselective Functionalization of C-H Bonds of Naphthylcarbamates for Oxidative Annulation with Alkynes.","Organic letters","2014","16","18","4830","4833","10.1021/ol502317c","","","0.71075","MoKα","","","0.0386","","","","0.0929","","","","","","1.054","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517902","9.21223","0.00017","14.5512","0.0003","10.45244","0.00019","90","","96.9989","0.0007","90","","1390.7","0.05","213","","213","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 N2 -","- C17 H14 N2 -","- C68 H56 N8 -","4","1","","Aoki, Yoshiaki; Matsuki, Nobuo; Mori, Tadashi; Ikeda, Hiroshi; Inoue, Yoshihisa","Exciplex ensemble modulated by excitation mode in intramolecular charge-transfer dyad: effects of temperature, solvent polarity, and wavelength on photochemistry and photophysics of tethered naphthalene-dicyanoethene system.","Organic letters","2014","16","18","4888","4891","10.1021/ol502394g","","","1.54187","CuKα","","","0.0601","","","","0.1904","","","","","","1.076","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517903","13.439","0.0003","7.57747","0.00014","28.7493","0.0006","90","","97.2127","0.0011","90","","2904.48","0.1","213","","213","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 N2 -","- C18 H16 N2 -","- C144 H128 N16 -","8","1","","Aoki, Yoshiaki; Matsuki, Nobuo; Mori, Tadashi; Ikeda, Hiroshi; Inoue, Yoshihisa","Exciplex ensemble modulated by excitation mode in intramolecular charge-transfer dyad: effects of temperature, solvent polarity, and wavelength on photochemistry and photophysics of tethered naphthalene-dicyanoethene system.","Organic letters","2014","16","18","4888","4891","10.1021/ol502394g","","","1.54187","CuKα","","","0.0529","","","","0.1461","","","","","","1.023","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517904","6.4278","0.0008","20.659","0.003","26.404","0.003","90","","90","","90","","3506.2","0.8","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C46 H42 O5 -","- C46 H42 O5 -","- C184 H168 O20 -","4","1","","Spangler, Jillian E.; Lian, Yajing; Raikar, Sandeep N.; Davies, Huw M. L.","Synthesis of Complex Hexacyclic Compounds via a Tandem Rh(II)-Catalyzed Double-Cyclopropanation/Cope Rearrangement/Diels-Alder Reaction.","Organic letters","2014","16","18","4794","4797","10.1021/ol502257d","","","1.5418","CuKα","","0.03","0.0277","","","0.066","0.0679","","","","","","1.067","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517905","6.0234","0.0001","10.8338","0.0003","37.8963","0.0008","90","","90","","90","","2472.97","0.1","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 O3 Si -","- C27 H34 O3 Si -","- C108 H136 O12 Si4 -","4","1","","Spangler, Jillian E.; Lian, Yajing; Raikar, Sandeep N.; Davies, Huw M. L.","Synthesis of Complex Hexacyclic Compounds via a Tandem Rh(II)-Catalyzed Double-Cyclopropanation/Cope Rearrangement/Diels-Alder Reaction.","Organic letters","2014","16","18","4794","4797","10.1021/ol502257d","","","0.71073","MoKα","","0.0562","0.0432","","","0.0929","0.0985","","","","","","1.031","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517906","8.049","0.002","14.884","0.005","16.221","0.007","90","","90","","90","","1943.3","1.2","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 N2 O Se -","- C23 H18 N2 O Se -","- C92 H72 N8 O4 Se4 -","4","1","","Iwasaki, Masayuki; Tsuchiya, Yuta; Nakajima, Kiyohiko; Nishihara, Yasushi","Chelate-assisted direct selenation of aryl C-h bonds with diselenides catalyzed by palladium.","Organic letters","2014","16","18","4920","4923","10.1021/ol502439m","","","0.71075","MoKα","","0.0776","0.0559","","","0.1279","0.1402","","","","","","1.032","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517907","7.6582","0.0004","6.5979","0.0003","26.7169","0.0014","90","","96.346","0.002","90","","1341.68","0.12","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H42 O4 -","- C30 H42 O4 -","- C60 H84 O8 -","2","1","","Qi, Qiu-Yue; Bao, Li; Ren, Jin-Wei; Han, Jun-Jie; Zhang, Zong-Yao; Li, Yi; Yao, Yi-Jian; Cao, Rui; Liu, Hong-Wei","Sterhirsutins A and B, Two New Heterodimeric Sesquiterpenes with a New Skeleton from the Culture of Stereum hirsutum Collected in Tibet Plateau.","Organic letters","2014","16","19","5092","5095","10.1021/ol502441n","","","0.71073","MoKα","","0.0542","0.0424","","","0.1013","0.1074","","","","","","1.01","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517908","12.7999","0.0009","27.2648","0.0016","7.9116","0.0006","90","","90","","90","","2761","0.3","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C30 H42 O5 -","- C30 H42 O5 -","- C120 H168 O20 -","4","1","","Qi, Qiu-Yue; Bao, Li; Ren, Jin-Wei; Han, Jun-Jie; Zhang, Zong-Yao; Li, Yi; Yao, Yi-Jian; Cao, Rui; Liu, Hong-Wei","Sterhirsutins A and B, Two New Heterodimeric Sesquiterpenes with a New Skeleton from the Culture of Stereum hirsutum Collected in Tibet Plateau.","Organic letters","2014","16","19","5092","5095","10.1021/ol502441n","","","0.71073","MoKα","","0.0592","0.0425","","","0.0965","0.1039","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517909","10.8259","0.0006","13.7106","0.0004","15.0874","0.0008","90","","129.379","0.003","90","","1730.99","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Br N O3 -","- C20 H14 Br N O3 -","- C80 H56 Br4 N4 O12 -","4","1","","Zheng, Chenguang; Yao, Weijun; Zhang, Yucheng; Ma, Cheng","Chiral Spirooxindole-Butenolide Synthesis through Asymmetric N-Heterocyclic Carbene-Catalyzed Formal (3 + 2) Annulation of 3-Bromoenals and Isatins.","Organic letters","2014","16","19","5028","5031","10.1021/ol502365r","","","0.71073","MoKα","","0.0647","0.0412","","","0.0823","0.0915","","","","","","1.02","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517910","15.4159","0.00012","15.4159","0.00012","15.6014","0.0002","90","","90","","90","","3707.67","0.06","293","2","293","2","","","","","","","","4","P 42 21 2","P 4n 2n","94","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C160 H152 N8 O24 -","8","1","","Zheng, Chenguang; Yao, Weijun; Zhang, Yucheng; Ma, Cheng","Chiral Spirooxindole-Butenolide Synthesis through Asymmetric N-Heterocyclic Carbene-Catalyzed Formal (3 + 2) Annulation of 3-Bromoenals and Isatins.","Organic letters","2014","16","19","5028","5031","10.1021/ol502365r","","","1.54184","CuKα","","0.0524","0.0505","","","0.1498","0.1529","","","","","","1.045","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517911","10.0048","0.0008","12.7119","0.001","14.1663","0.0011","85.332","0.004","89.835","0.004","72.674","0.004","1713.8","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C37.5 H34 N O2.5 P -","- C37.5 H34 N O2.5 P -","- C75 H68 N2 O5 P2 -","2","1","","Bhunia, Anup; Roy, Tony; Gonnade, Rajesh G.; Biju, Akkattu T.","Rapid access to benzoxaphospholes and their spiro analogues by a three-component coupling involving arynes, phosphines, and activated ketones.","Organic letters","2014","16","19","5132","5135","10.1021/ol502490t","","","0.71073","MoKα","","0.0788","0.0692","","","0.2119","0.2214","","","","","","1.126","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517912","12.3316","0.0008","10.387","0.0007","20.2159","0.0013","90","","100.383","0.004","90","","2547","0.3","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C32 H24 As F3 O -","- C32 H24 As F3 O -","- C128 H96 As4 F12 O4 -","4","2","","Bhunia, Anup; Roy, Tony; Gonnade, Rajesh G.; Biju, Akkattu T.","Rapid access to benzoxaphospholes and their spiro analogues by a three-component coupling involving arynes, phosphines, and activated ketones.","Organic letters","2014","16","19","5132","5135","10.1021/ol502490t","","","0.71073","MoKα","","0.0485","0.0342","","","0.0736","0.0794","","","","","","1.027","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517913","12.0989","0.001","15.5163","0.0019","13.4788","0.001","90","","90.135","0.001","90","","2530.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 F3 O P -","- C32 H24 F3 O P -","- C128 H96 F12 O4 P4 -","4","1","","Bhunia, Anup; Roy, Tony; Gonnade, Rajesh G.; Biju, Akkattu T.","Rapid access to benzoxaphospholes and their spiro analogues by a three-component coupling involving arynes, phosphines, and activated ketones.","Organic letters","2014","16","19","5132","5135","10.1021/ol502490t","","","0.71073","MoKα","","0.0581","0.0504","","","0.1216","0.1265","","","","","","1.098","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517914","7.9543","0.0008","14.7777","0.0015","16.5747","0.0017","90","","91.073","0.002","90","","1948","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ethyl 2-(3-isopropylquinolin-2-yl)-2-methyl-3-oxo-3-phenylpropanoate","","","- C24 H25 N O3 -","- C24 H25 N O3 -","- C96 H100 N4 O12 -","4","1","","Selig, Philipp; Raven, William","A Convenient Allenoate-Based Synthesis of 2-Quinolin-2-yl Malonates and β-Ketoesters","Organic letters","2014","16","19","5192","5195","10.1021/ol502554e","","","0.71073","MoKα","","0.0671","0.0426","","","0.0913","0.1023","","","","","","1.052","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517915","8.6857","0.0004","5.5312","0.0003","26.9976","0.0015","90","","95.174","0.005","90","","1291.74","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Br N3 O -","- C13 H12 Br N3 O -","- C52 H48 Br4 N12 O4 -","4","1","","Guo, Jiawei; Yu, Binxun; Wang, Ya-Nan; Duan, Dongyu; Ren, Li-Li; Gao, Ziwei; Gou, Jing","Conversion of 2-Furylcarbinols with Alkyl or Aryl Azides to Highly Functionalized 1,2,3-Triazoles via Cascade Formal [3 + 2] Cycloaddition/Ring-Opening.","Organic letters","2014","16","19","5088","5091","10.1021/ol502437y","","","0.71073","MoKα","","0.1277","0.0525","","","0.0953","0.1164","","","","","","1.001","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517916","31.114","0.003","31.114","0.003","5.4546","0.0005","90","","90","","120","","4573","0.8","293","2","293","2","","","","","","","","4","R -3","-R 3","148","","","","- C9 H13 N3 O -","- C9 H13 N3 O -","- C162 H234 N54 O18 -","18","","","Guo, Jiawei; Yu, Binxun; Wang, Ya-Nan; Duan, Dongyu; Ren, Li-Li; Gao, Ziwei; Gou, Jing","Conversion of 2-Furylcarbinols with Alkyl or Aryl Azides to Highly Functionalized 1,2,3-Triazoles via Cascade Formal [3 + 2] Cycloaddition/Ring-Opening.","Organic letters","2014","16","19","5088","5091","10.1021/ol502437y","","","0.71073","MoKα","","0.1174","0.0667","","","0.167","0.1962","","","","","","1.04","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517917","8.019","0.0003","11.1616","0.0004","13.3763","0.0005","90","","103.822","0.004","90","","1162.57","0.08","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","BN","","","- C11 H12 B Cr N O3 -","- C11 H12 B Cr N O3 -","- C44 H48 B4 Cr4 N4 O12 -","4","1","","Sun, Feiye; Lv, Lily; Huang, Min; Zhou, Zhaohui; Fang, Xiangdong","Palladium-catalyzed cross-coupling reactions of 4a,8a-azaboranaphthalene.","Organic letters","2014","16","19","5024","5027","10.1021/ol502339h","","","0.71073","MoKα","","0.0359","0.0307","","","0.0805","0.0835","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517918","4.4427","0.0002","11.8161","0.0004","16.0682","0.0005","90","","96.147","0.003","90","","838.66","0.05","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 B I N -","- C8 H7 B I N -","- C32 H28 B4 I4 N4 -","4","1","","Sun, Feiye; Lv, Lily; Huang, Min; Zhou, Zhaohui; Fang, Xiangdong","Palladium-catalyzed cross-coupling reactions of 4a,8a-azaboranaphthalene.","Organic letters","2014","16","19","5024","5027","10.1021/ol502339h","","","0.71073","MOKα","","0.0266","0.0242","","","0.0569","0.0579","","","","","","1.111","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517919","8.1251","0.0006","10.572","0.0005","11.2739","0.0007","90","","107.185","0.007","90","","925.18","0.11","446","2","446","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dibromide","","","- C8 H6 B Br2 N -","- C8 H6 B Br2 N -","- C32 H24 B4 Br8 N4 -","4","1","","Sun, Feiye; Lv, Lily; Huang, Min; Zhou, Zhaohui; Fang, Xiangdong","Palladium-catalyzed cross-coupling reactions of 4a,8a-azaboranaphthalene.","Organic letters","2014","16","19","5024","5027","10.1021/ol502339h","","","0.71073","MoKα","","0.0643","0.0462","","","0.1018","0.1124","","","","","","1.049","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517920","7.3708","0.0008","28.754","0.003","12.9255","0.0012","90","","90","","90","","2739.4","0.5","446","2","446","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-(1-naphthyl)-4a,8a-azaboranaphthalene","","","- C18 H14 B N -","- C18 H14 B N -","- C144 H112 B8 N8 -","8","1","","Sun, Feiye; Lv, Lily; Huang, Min; Zhou, Zhaohui; Fang, Xiangdong","Palladium-catalyzed cross-coupling reactions of 4a,8a-azaboranaphthalene.","Organic letters","2014","16","19","5024","5027","10.1021/ol502339h","","","0.71073","MoKα","","0.2202","0.1417","","","0.3326","0.3889","","","","","","1.086","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517921","12.816","0.001","7.3282","0.0006","17.716","0.002","90","","90","","90","","1663.9","0.3","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Boron nitrogen hydroxide","","","- C8 H14 B N O -","- C8 H14 B N O -","- C64 H112 B8 N8 O8 -","8","2","","Sun, Feiye; Lv, Lily; Huang, Min; Zhou, Zhaohui; Fang, Xiangdong","Palladium-catalyzed cross-coupling reactions of 4a,8a-azaboranaphthalene.","Organic letters","2014","16","19","5024","5027","10.1021/ol502339h","","","0.71073","MoKα","","0.0663","0.0519","","","0.1008","0.1074","","","","","","1.057","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517922","7.4431","0.001","8.2141","0.0005","14.5825","0.0016","88.312","0.007","75.902","0.01","88.824","0.008","864.24","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H6 B Cl2 N -","- C8 H6 B Cl2 N -","- C32 H24 B4 Cl8 N4 -","4","2","","Sun, Feiye; Lv, Lily; Huang, Min; Zhou, Zhaohui; Fang, Xiangdong","Palladium-catalyzed cross-coupling reactions of 4a,8a-azaboranaphthalene.","Organic letters","2014","16","19","5024","5027","10.1021/ol502339h","","","0.71073","MoKα","","0.0751","0.0615","","","0.1488","0.1601","","","","","","1.076","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517923","18.6948","0.0004","7.70147","0.00015","26.3894","0.0006","90","","90","","90","","3799.48","0.14","180.1","0.6","180.1","0.6","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H21 Br F N O2 S -","- C20 H21 Br F N O2 S -","- C160 H168 Br8 F8 N8 O16 S8 -","8","1","","Romanov-Michailidis, Fedor; Pupier, Marion; Besnard, Céline; Bürgi, Thomas; Alexakis, Alexandre","Enantioselective Catalytic Fluorinative Aza-semipinacol Rearrangement.","Organic letters","2014","16","19","4988","4991","10.1021/ol5022355","","","1.54184","CuKα","","0.0387","0.0329","","","0.0858","0.0908","","","","","","1.026","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517924","6.1206","0.0002","14.3568","0.0004","10.8114","0.0003","90","","97.956","0.001","90","","940.88","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H24 N2 O7 -","- C21 H24 N2 O7 -","- C42 H48 N4 O14 -","2","1","","Zhou, Min; Miao, Ming-Ming; Du, Gang; Li, Xiao-Nian; Shang, Shan-Zhai; Zhao, Wei; Liu, Zhi-Hua; Yang, Guang-Yu; Che, Chun-Tao; Hu, Qiu-Fen; Gao, Xue-Mei","Aspergillines A-E, Highly Oxygenated Hexacyclic Indole-Tetrahydrofuran-Tetramic Acid Derivatives from Aspergillus versicolor.","Organic letters","2014","16","19","5016","5019","10.1021/ol502307u","","","1.54178","CuKα","","0.0376","0.0376","","","0.1112","0.1112","","","","","","1.105","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517925","8.8619","0.0005","7.5272","0.0005","12.6082","0.0008","90","","90.851","0.003","90","","840.94","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O6 -","- C19 H20 N2 O6 -","- C38 H40 N4 O12 -","2","1","","Zhou, Min; Miao, Ming-Ming; Du, Gang; Li, Xiao-Nian; Shang, Shan-Zhai; Zhao, Wei; Liu, Zhi-Hua; Yang, Guang-Yu; Che, Chun-Tao; Hu, Qiu-Fen; Gao, Xue-Mei","Aspergillines A-E, Highly Oxygenated Hexacyclic Indole-Tetrahydrofuran-Tetramic Acid Derivatives from Aspergillus versicolor.","Organic letters","2014","16","19","5016","5019","10.1021/ol502307u","","","1.54178","CuKα","","0.0832","0.0828","","","0.2086","0.2099","","","","","","1.049","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517926","7.5133","0.001","11.8014","0.0015","13.2452","0.0017","99.186","0.001","103.968","0.001","99.535","0.001","1099.2","0.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","4,4'-Dihexyloxyazobenzene","","","- C24 H34 N2 O2 -","- C24 H34 N2 O2 -","- C48 H68 N4 O4 -","2","1","","Norikane, Yasuo; Uchida, Emi; Tanaka, Satoko; Fujiwara, Kyoko; Koyama, Emiko; Azumi, Reiko; Akiyama, Haruhisa; Kihara, Hideyuki; Yoshida, Masaru","Photoinduced Crystal-to-Liquid Phase Transitions of Azobenzene Derivatives and Their Application in Photolithography Processes through a Solid-Liquid Patterning.","Organic letters","2014","16","19","5012","5015","10.1021/ol502223u","","","0.71073","MoKα","","0.0442","0.039","","","0.1294","0.135","","","","","","1.04","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517927","7.483","0.002","9.48","0.003","24.88","0.007","90","","97.096","0.003","90","","1751.4","0.9","183","2","183","2","","","","","","","","4","P 1 21 1","P 2yb","4","4,4'-Didodecyloxy-3-methylazobenzene","","","- C37 H60 N2 O2 -","- C37 H60 N2 O2 -","- C74 H120 N4 O4 -","2","1","","Norikane, Yasuo; Uchida, Emi; Tanaka, Satoko; Fujiwara, Kyoko; Koyama, Emiko; Azumi, Reiko; Akiyama, Haruhisa; Kihara, Hideyuki; Yoshida, Masaru","Photoinduced Crystal-to-Liquid Phase Transitions of Azobenzene Derivatives and Their Application in Photolithography Processes through a Solid-Liquid Patterning.","Organic letters","2014","16","19","5012","5015","10.1021/ol502223u","","","0.71073","MoKα","","0.0867","0.0496","","","0.1431","0.2018","","","","","","0.948","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517928","18.853","0.004","35.929","0.008","7.0005","0.0015","90","","90","","90","","4741.9","1.8","153","2","153","2","","","","","","","","4","C c c 2","C 2 -2c","37","4,4'-Dihexyloxy-3-methylazobenzene","","","- C25 H36 N2 O2 -","- C25 H36 N2 O2 -","- C200 H288 N16 O16 -","8","1","","Norikane, Yasuo; Uchida, Emi; Tanaka, Satoko; Fujiwara, Kyoko; Koyama, Emiko; Azumi, Reiko; Akiyama, Haruhisa; Kihara, Hideyuki; Yoshida, Masaru","Photoinduced Crystal-to-Liquid Phase Transitions of Azobenzene Derivatives and Their Application in Photolithography Processes through a Solid-Liquid Patterning.","Organic letters","2014","16","19","5012","5015","10.1021/ol502223u","","","0.71073","MoKα","","0.1315","0.0565","","","0.1354","0.1729","","","","","","0.963","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517929","9.54","0.004","12.928","0.006","14.473","0.005","112.321","0.005","105.399","0.004","98.301","0.004","1530.6","1.1","183","","183","","","","","","","","","4","P -1","-P 1","2","4,4'-Dedecyloxy-3-methylazobenzene","","","- C33 H52 N2 O2 -","- C33 H52 N2 O2 -","- C66 H104 N4 O4 -","2","1","","Norikane, Yasuo; Uchida, Emi; Tanaka, Satoko; Fujiwara, Kyoko; Koyama, Emiko; Azumi, Reiko; Akiyama, Haruhisa; Kihara, Hideyuki; Yoshida, Masaru","Photoinduced Crystal-to-Liquid Phase Transitions of Azobenzene Derivatives and Their Application in Photolithography Processes through a Solid-Liquid Patterning.","Organic letters","2014","16","19","5012","5015","10.1021/ol502223u","","","0.71073","MoKα","","0.0971","0.0579","","","0.1476","0.1626","","","","","","0.939","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517930","9.497","0.007","18.827","0.013","6.964","0.005","90","","90.454","0.008","90","","1245.1","1.5","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4,4'-Dihexyloxy-3,3'-dimethylazobenzne","","","- C26 H38 N2 O2 -","- C26 H38 N2 O2 -","- C52 H76 N4 O4 -","2","0.5","","Norikane, Yasuo; Uchida, Emi; Tanaka, Satoko; Fujiwara, Kyoko; Koyama, Emiko; Azumi, Reiko; Akiyama, Haruhisa; Kihara, Hideyuki; Yoshida, Masaru","Photoinduced Crystal-to-Liquid Phase Transitions of Azobenzene Derivatives and Their Application in Photolithography Processes through a Solid-Liquid Patterning.","Organic letters","2014","16","19","5012","5015","10.1021/ol502223u","","","0.71073","MoKα","","0.0904","0.0806","","","0.2414","0.2473","","","","","","1.027","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517931","7.985","0.0015","9.3841","0.0019","13.287","0.003","87.148","0.017","73.581","0.018","68.814","0.018","888.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 N4 O2 S -","- C18 H16 N4 O2 S -","- C36 H32 N8 O4 S2 -","2","1","","Sheng, Guorong; Huang, Kai; Chi, Zhihao; Ding, Hualong; Xing, Yanpeng; Lu, Ping; Wang, Yanguang","Preparation of 3-Diazoindolin-2-imines via Cascade Reaction between Indoles and Sulfonylazides and Their Extensions to 2,3-Diaminoindoles and Imidazo[4,5-b]indoles.","Organic letters","2014","16","19","5096","5099","10.1021/ol502423k","","","0.71073","MoKα","","0.0851","0.0552","","","0.1328","0.1607","","","","","","1.041","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517932","10.501","0.002","10.7195","0.0015","15.234","0.003","90","","110.08","0.02","90","","1610.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O4 S -","- C16 H15 N3 O4 S -","- C64 H60 N12 O16 S4 -","4","1","","Sheng, Guorong; Huang, Kai; Chi, Zhihao; Ding, Hualong; Xing, Yanpeng; Lu, Ping; Wang, Yanguang","Preparation of 3-Diazoindolin-2-imines via Cascade Reaction between Indoles and Sulfonylazides and Their Extensions to 2,3-Diaminoindoles and Imidazo[4,5-b]indoles.","Organic letters","2014","16","19","5096","5099","10.1021/ol502423k","","","0.71073","MoKα","","0.1734","0.1435","","","0.3836","0.4056","","","","","","1.491","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517933","24.442","0.002","18.0516","0.0014","14.9991","0.0011","90","","95.86","0.008","90","","6583.3","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N4 O2 S -","- C17 H16 N4 O2 S -","- C272 H256 N64 O32 S16 -","16","4","","Sheng, Guorong; Huang, Kai; Chi, Zhihao; Ding, Hualong; Xing, Yanpeng; Lu, Ping; Wang, Yanguang","Preparation of 3-Diazoindolin-2-imines via Cascade Reaction between Indoles and Sulfonylazides and Their Extensions to 2,3-Diaminoindoles and Imidazo[4,5-b]indoles.","Organic letters","2014","16","19","5096","5099","10.1021/ol502423k","","","0.71073","MoKα","","0.1034","0.0516","","","0.1251","0.1554","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517934","10.383","0.0011","10.0793","0.0011","12.2195","0.0013","90","","93.307","0.008","90","","1276.7","0.2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H32 O7 -","- C29 H32 O7 -","- C58 H64 O14 -","2","1","","Liu, Long; Wang, Cheng-Qian; Liu, Dan; He, Wei-Gang; Xu, Jin-Yi; Lin, Ai-Jun; Yao, He-Quan; Tanabe, Genzoh; Muraoka, Osamu; Xie, Wei-Jia; Wu, Xiao-Ming","Construction of 3,6-Anhydrohexosides via Intramolecular Cyclization of Triflates and Its Application to the Synthesis of Natural Product Isolated from Leaves of Sauropus rostratus.","Organic letters","2014","16","19","5004","5007","10.1021/ol5022838","","","1.54178","CuKα","","0.0382","0.0314","","","0.0879","0.0926","","","","","","1.036","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517935","14.3472","0.0014","17.3099","0.0013","8.191","0.001","90","","90","","90","","2034.2","0.4","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C19 H33 N O7 S -","- C19 H33 N O7 S -","- C76 H132 N4 O28 S4 -","4","1","","Al Hazmi, Ali M.; Sheikh, Nadeem S.; Bataille, Carole J. R.; Al-Hadedi, Azzam A M; Watkin, Sam V.; Luker, Tim J.; Camp, Nicholas P.; Brown, Richard C. D.","trans-2-Tritylcyclohexanol as a Chiral Auxiliary in Permanganate-Mediated Oxidative Cyclization of 2-Methylenehept-5-enoates: Application to the Synthesis of trans-(+)-Linalool Oxide.","Organic letters","2014","16","19","5104","5107","10.1021/ol502454r","","","0.71073","MoKα","","0.0462","0.0393","","","0.0948","0.0979","","","","","","1.048","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517936","9.3223","0.0002","15.4012","0.0003","19.5439","0.0003","90","","90","","90","","2806.01","0.09","120","2","120","2","","","","","","","Ali Al Hazmi","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H33 F3 O3 -","- C35 H33 F3 O3 -","- C140 H132 F12 O12 -","4","1","","Al Hazmi, Ali M.; Sheikh, Nadeem S.; Bataille, Carole J. R.; Al-Hadedi, Azzam A M; Watkin, Sam V.; Luker, Tim J.; Camp, Nicholas P.; Brown, Richard C. D.","trans-2-Tritylcyclohexanol as a Chiral Auxiliary in Permanganate-Mediated Oxidative Cyclization of 2-Methylenehept-5-enoates: Application to the Synthesis of trans-(+)-Linalool Oxide.","Organic letters","2014","16","19","5104","5107","10.1021/ol502454r","","","0.71073","MoKα","","0.0735","0.0581","","","0.1102","0.119","","","","","","1.133","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517943","8.4774","0.0017","14.219","0.003","15.561","0.003","70.16","0.03","75.47","0.03","83.16","0.03","1706.8","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","diaminoalkene","(E)-methyl 3-amino-3-(4-bromophenyl)-2-(1,3-dioxoisoindolin-2-yl)acrylate","","- C18 H13 Br N2 O4 -","- C18 H13 Br N2 O4 -","- C72 H52 Br4 N8 O16 -","4","2","","Yuan, Yucheng; Hou, Wenjuan; Zhang-Negrerie, Daisy; Zhao, Kang; Du, Yunfei","Direct Oxidative Coupling of Enamines and Electron-Deficient Amines: TBAI/TBHP-Mediated Synthesis of Substituted Diaminoalkenes under Metal-Free Conditions.","Organic letters","2014","16","20","5410","5413","10.1021/ol5026525","","","0.71073","MoKα","","0.1406","0.0653","","","0.1241","0.1419","","","","","","1.009","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1517944","10.895","0.002","6.6814","0.0015","23.895","0.005","90","","93.14","0.006","90","","1736.8","0.6","147","2","147","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N O2 P -","- C21 H18 N O2 P -","- C84 H72 N4 O8 P4 -","4","1","","Lee, Ansoo; Ahn, Seihwan; Kang, Kyungjun; Seo, Min-Seob; Kim, Yeonjoon; Kim, Woo Youn; Kim, Hyunwoo","Bicyclic Bridgehead Phosphoramidite (Briphos) Ligands with Tunable π-Acceptor Ability and Catalytic Activity in the Rhodium-Catalyzed Conjugate Additions.","Organic letters","2014","16","20","5490","5493","10.1021/ol502772m","","","0.71073","MoKα","","0.0659","0.0419","","","0.0951","0.106","","","","","","1.029","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517945","10.1059","0.0009","20.1867","0.0017","17.7321","0.0016","90","","104.134","0.002","90","","3507.9","0.5","147","2","147","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C83 H64 Cl2 N4 O8 P4 Rh2 -","- C83 H64 Cl2 N4 O8 P4 Rh2 -","- C166 H128 Cl4 N8 O16 P8 Rh4 -","2","1","","Lee, Ansoo; Ahn, Seihwan; Kang, Kyungjun; Seo, Min-Seob; Kim, Yeonjoon; Kim, Woo Youn; Kim, Hyunwoo","Bicyclic Bridgehead Phosphoramidite (Briphos) Ligands with Tunable π-Acceptor Ability and Catalytic Activity in the Rhodium-Catalyzed Conjugate Additions.","Organic letters","2014","16","20","5490","5493","10.1021/ol502772m","","","0.71073","MoKα","","0.0327","0.0277","","","0.0661","0.0683","","","","","","1.04","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517946","6.8338","0.0003","7.2865","0.0003","28.1501","0.0016","90","","90","","90","","1401.72","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O6 -","- C14 H16 O6 -","- C56 H64 O24 -","4","1","","Matviitsuk, Anastassia; Berndt, Falko; Mahrwald, Rainer","Four into one: organocatalyzed stereoselective conjugate addition of unprotected and unactivated carbohydrates.","Organic letters","2014","16","20","5474","5477","10.1021/ol5027443","","","0.71073","MoKα","","0.0548","0.0353","","","0.0506","0.0545","","","","","","0.893","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517947","17.8456","0.0011","5.5103","0.0003","12.4607","0.001","90","","120.958","0.006","90","","1050.76","0.14","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C9 H16 O6 -","- C9 H16 O6 -","- C36 H64 O24 -","4","1","","Matviitsuk, Anastassia; Berndt, Falko; Mahrwald, Rainer","Four into one: organocatalyzed stereoselective conjugate addition of unprotected and unactivated carbohydrates.","Organic letters","2014","16","20","5474","5477","10.1021/ol5027443","","","0.71073","MoKα","","0.0477","0.0454","","","0.1242","0.1267","","","","","","0.914","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517948","10.5974","0.0008","8.8771","0.0006","11.6962","0.0009","90","","93.9888","0.0019","90","","1097.65","0.14","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H20 F2 N2 O -","- C29 H20 F2 N2 O -","- C58 H40 F4 N4 O2 -","2","1","","Pusch, Stefan; Opatz, Till","A photochemical one-pot three-component synthesis of tetrasubstituted imidazoles.","Organic letters","2014","16","20","5430","5433","10.1021/ol502667h","","","0.71073","MoKα","","0.0455","0.0382","","","0.0877","0.0938","","","","","","1.057","","","","has coordinates,has disorder","301776","2025-08-18","14:47:52",""
"1517949","8.0593","0.0014","22.292","0.004","25.202","0.006","90","","90","","90","","4527.7","1.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H23 F N2 O -","- C30 H23 F N2 O -","- C240 H184 F8 N16 O8 -","8","1","","Pusch, Stefan; Opatz, Till","A photochemical one-pot three-component synthesis of tetrasubstituted imidazoles.","Organic letters","2014","16","20","5430","5433","10.1021/ol502667h","","","0.71073","MoKα","","0.1532","0.056","","","0.1031","0.1359","","","","","","0.941","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517950","7.2482","0.0001","13.3145","0.0001","20.2206","0.0002","90","","90","","90","","1951.41","0.04","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 N2 O3 -","- C21 H28 N2 O3 -","- C84 H112 N8 O12 -","4","1","","Han, Wen Bo; Lu, Yan Hua; Zhang, Ai Hua; Zhang, Gao Fei; Mei, Ya Ning; Jiang, Nan; Lei, Xinxiang; Song, Yong Chun; Ng, Seik Weng; Tan, Ren Xiang","Curvulamine, a new antibacterial alkaloid incorporating two undescribed units from a curvularia species.","Organic letters","2014","16","20","5366","5369","10.1021/ol502572g","","","1.54184","CuKα","","0.039","0.037","","","0.1058","0.1086","","","","","","1.043","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517959","7.0512","0.0008","8.2526","0.0009","10.6656","0.0019","73.101","0.013","82.494","0.012","86.39","0.009","588.55","0.15","294.67","0.1","294.67","0.1","","","","","","","","5","P 1","P 1","1","","","","- C11 H9 Cl N4 O2 -","- C11 H9 Cl N4 O2 -","- C22 H18 Cl2 N8 O4 -","2","2","","Wu, Xiu-Ping; Su, Yan; Gu, Peiming","Catalytic Enantioselective Desymmetrization of 1,3-Diazido-2-propanol via Intramolecular Interception of Alkyl Azides with Diazo(aryl)acetates.","Organic letters","2014","16","20","5339","5341","10.1021/ol502608d","","","0.71","MoKα","","0.0634","0.0509","","","0.1154","0.1356","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517960","6.28391","0.00008","7.30361","0.00008","24.7078","0.0003","90","","90","","90","","1133.97","0.02","294.2","0.2","294.2","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H9 F N4 O2 -","- C11 H9 F N4 O2 -","- C44 H36 F4 N16 O8 -","4","1","","Wu, Xiu-Ping; Su, Yan; Gu, Peiming","Catalytic Enantioselective Desymmetrization of 1,3-Diazido-2-propanol via Intramolecular Interception of Alkyl Azides with Diazo(aryl)acetates.","Organic letters","2014","16","20","5339","5341","10.1021/ol502608d","","","1.5418","CuKα","","0.0343","0.0341","","","0.093","0.0933","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517961","24.1913","0.0012","6.4335","0.0003","11.2245","0.0006","90","","91.281","0.002","90","","1746.49","0.15","100","","99.99","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H17 N O6 S -","- C19 H17 N O6 S -","- C76 H68 N4 O24 S4 -","4","1","","Engl, Oliver D.; Fritz, Sven P.; Käslin, Alexander; Wennemers, Helma","Organocatalytic route to dihydrocoumarins and dihydroquinolinones in all stereochemical configurations.","Organic letters","2014","16","20","5454","5457","10.1021/ol502697s","","x-ray","0.71073","MoKα","K-L~3~","0.029","0.0269","","","0.0649","0.0661","","","","","","1.037","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517962","15.4148","0.0017","18.67","0.002","15.0377","0.0017","90","","120.833","0.002","90","","3716.1","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H34 N6 O6 Pd2 -","- C44 H34 N6 O6 Pd2 -","- C176 H136 N24 O24 Pd8 -","4","0.5","","Yang, Weiguang; Chen, Jiuxi; Huang, Xiaobo; Ding, Jinchang; Liu, Miaochang; Wu, Huayue","Pd-Catalyzed Intramolecular Aerobic Oxidative C-H Amination of 2-Aryl-3-(arylamino)quinazolinones: Synthesis of Fluorescent Indazolo[3,2-b]quinazolinones.","Organic letters","2014","16","20","5418","5421","10.1021/ol5026553","","","0.71073","MoKα","","0.0312","0.0276","","","0.074","0.0767","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517968","12.9385","0.0001","7.6586","0.0001","13.3685","0.0002","90","","117.233","0.001","90","","1177.86","0.03","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H34 O9 -","- C27 H34 O9 -","- C54 H68 O18 -","2","1","","Liu, Cui-Ping; Xu, Jin-Biao; Han, Ying-Shan; Wainberg, Mark A.; Yue, Jian-Min","Trichiconins A-C, Limonoids with New Carbon Skeletons from Trichilia connaroides.","Organic letters","2014","16","20","5478","5481","10.1021/ol5027552","","","1.54178","CuKα","","0.0375","0.0372","","","0.0971","0.0975","","","","","","0.955","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517969","12.9928","0.0002","8.2074","0.0001","13.2455","0.0002","90","","99.287","0.001","90","","1393.95","0.03","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H36 O10 -","- C29 H36 O10 -","- C58 H72 O20 -","2","1","","Liu, Cui-Ping; Xu, Jin-Biao; Han, Ying-Shan; Wainberg, Mark A.; Yue, Jian-Min","Trichiconins A-C, Limonoids with New Carbon Skeletons from Trichilia connaroides.","Organic letters","2014","16","20","5478","5481","10.1021/ol5027552","","","1.54178","CuKα","","0.0299","0.0296","","","0.0773","0.0777","","","","","","1.018","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517973","10.7291","0.0002","14.4847","0.0003","26.2864","0.0005","90","","90","","90","","4085.11","0.14","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H48 Cl2 O4 P2 Rh2 -","- C41 H48 Cl2 O4 P2 Rh2 -","- C164 H192 Cl8 O16 P8 Rh8 -","4","1","","Sieber, Joshua D.; Chennamadhavuni, Divya; Fandrick, Keith R.; Qu, Bo; Han, Zhengxu S.; Savoie, Jolaine; Ma, Shengli; Samankumara, Lalith P.; Grinberg, Nelu; Lee, Heewon; Song, Jinhua J.; Senanayake, Chris H.","Development of New P-Chiral P,π-Dihydrobenzooxaphosphole Hybrid Ligands for Asymmetric Catalysis.","Organic letters","2014","16","20","5494","5497","10.1021/ol5027798","","","1.54178","CuKα","","0.0249","0.0227","","","0.0622","0.0729","","","","","","0.9677","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517974","24.2923","0.0014","10.3638","0.0004","15.5395","0.0006","90","","117.38","0.005","90","","3474","0.3","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H30 Cl4 N4 -","- C40 H30 Cl4 N4 -","- C160 H120 Cl16 N16 -","4","0.5","","Huang, Jau-Jiun; Leung, Man-Kit; Chiu, Tien-Lung; Chuang, Ya-Ting; Chou, Pi-Tai; Hung, Yu-Hsiang","Novel Benzimidazole Derivatives as Electron-Transporting Type Host To Achieve Highly Efficient Sky-Blue Phosphorescent Organic Light-Emitting Diode (PHOLED) Device.","Organic letters","2014","16","20","5398","5401","10.1021/ol502602t","","","0.71073","MoKα","","0.0716","0.0477","","","0.1144","0.1305","","","","","","1.016","","","","has coordinates,has disorder","301776","2025-08-18","14:47:52",""
"1517975","12.4127","0.001","9.7948","0.0008","15.3247","0.0013","90","","90.878","0.007","90","","1863","0.3","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H18 N2 -","- C25 H18 N2 -","- C100 H72 N8 -","4","2","","Huang, Jau-Jiun; Leung, Man-Kit; Chiu, Tien-Lung; Chuang, Ya-Ting; Chou, Pi-Tai; Hung, Yu-Hsiang","Novel Benzimidazole Derivatives as Electron-Transporting Type Host To Achieve Highly Efficient Sky-Blue Phosphorescent Organic Light-Emitting Diode (PHOLED) Device.","Organic letters","2014","16","20","5398","5401","10.1021/ol502602t","","","1.54178","CuKα","","0.0819","0.0529","","","0.1113","0.1275","","","","","","1.034","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517976","11.1288","0.0011","20.891","0.002","13.4526","0.0013","90","","111.287","0.001","90","","2914.2","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H45 N O4 S Si -","- C29 H45 N O4 S Si -","- C116 H180 N4 O16 S4 Si4 -","4","2","","Jiang, Shi-Zhi; Lei, Ting; Wei, Kun; Yang, Yu-Rong","Collective total synthesis of tetracyclic diquinane lycopodium alkaloids (+)-paniculatine, (-)-magellanine, (+)-magellaninone and analogues thereof.","Organic letters","2014","16","21","5612","5615","10.1021/ol502679v","","","0.71073","MoKα","","0.051","0.0431","","","0.1052","0.1093","","","","","","1.029","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517977","7.3932","0.0007","10.0902","0.0009","28.435","0.003","90","","90","","90","","2121.2","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O5 S -","- C23 H31 N O5 S -","- C92 H124 N4 O20 S4 -","4","1","","Jiang, Shi-Zhi; Lei, Ting; Wei, Kun; Yang, Yu-Rong","Collective total synthesis of tetracyclic diquinane lycopodium alkaloids (+)-paniculatine, (-)-magellanine, (+)-magellaninone and analogues thereof.","Organic letters","2014","16","21","5612","5615","10.1021/ol502679v","","","0.71073","MoKα","","0.0383","0.0347","","","0.086","0.088","","","","","","1.051","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1517978","6.6647","0.0007","8.0882","0.0008","40.025","0.004","90","","90","","90","","2157.6","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O4 S -","- C23 H31 N O4 S -","- C92 H124 N4 O16 S4 -","4","1","","Jiang, Shi-Zhi; Lei, Ting; Wei, Kun; Yang, Yu-Rong","Collective total synthesis of tetracyclic diquinane lycopodium alkaloids (+)-paniculatine, (-)-magellanine, (+)-magellaninone and analogues thereof.","Organic letters","2014","16","21","5612","5615","10.1021/ol502679v","","","0.71073","MoKα","","0.0403","0.037","","","0.0861","0.0891","","","","","","1.107","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518007","15.117","0.003","25.634","0.004","10.4832","0.0018","90","","93.16","0.002","90","","4056.2","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dianion","","","- C50 H44 Co2 N6 -","- C50 H44 Co2 N6 -","- C200 H176 Co8 N24 -","4","1","","Endo, Yasutaka; Hasegawa, Masashi; Matsui, Tamami; Yagi, Hajime; Hino, Shojun; Mazaki, Yasuhiro","Synthesis and Electronic Structure of Dicyanofulvene-Fused Electron Accepting Molecule Based on a 1,5-Dihydro-s-Indacene Framework.","Organic letters","2014","16","21","5608","5611","10.1021/ol502675n","","","0.71073","MoKα","","0.0774","0.0678","","","0.2055","0.2155","","","","","","1.233","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518008","4.698","0.002","9.524","0.004","12.274","0.005","107.122","0.005","96.442","0.005","99.141","0.005","510.8","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","diketone","","","- C12 H12 N O -","- C12 H12 N O -","- C24 H24 N2 O2 -","2","1","","Endo, Yasutaka; Hasegawa, Masashi; Matsui, Tamami; Yagi, Hajime; Hino, Shojun; Mazaki, Yasuhiro","Synthesis and Electronic Structure of Dicyanofulvene-Fused Electron Accepting Molecule Based on a 1,5-Dihydro-s-Indacene Framework.","Organic letters","2014","16","21","5608","5611","10.1021/ol502675n","","","0.71073","MoKα","","0.0666","0.05","","","0.1319","0.1486","","","","","","1.042","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518009","15.1235","0.0014","8.1521","0.0007","10.0755","0.0009","90","","102.546","0.001","90","","1212.53","0.19","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","diCN","","","- C15 H12 N3 -","- C15 H12 N3 -","- C60 H48 N12 -","4","1","","Endo, Yasutaka; Hasegawa, Masashi; Matsui, Tamami; Yagi, Hajime; Hino, Shojun; Mazaki, Yasuhiro","Synthesis and Electronic Structure of Dicyanofulvene-Fused Electron Accepting Molecule Based on a 1,5-Dihydro-s-Indacene Framework.","Organic letters","2014","16","21","5608","5611","10.1021/ol502675n","","","0.71073","MoKα","","0.0492","0.0367","","","0.1006","0.1187","","","","","","1.118","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518010","16.9537","0.0003","8.6396","0.0002","29.8296","0.0005","90","","90","","90","","4369.24","0.15","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C27 H20 O7 -","- C27 H20 O7 -","- C216 H160 O56 -","8","2","","Zhao, Si-Meng; Wang, Zhe; Zeng, Guang-Zhi; Song, Wei-Wu; Chen, Xiao-Qiang; Li, Xiao-Nian; Tan, Ning-Hua","New Cytotoxic Naphthohydroquinone Dimers from Rubia alata.","Organic letters","2014","16","21","5576","5579","10.1021/ol502603f","","","1.54178","CuKα","","0.1175","0.116","","","0.2608","0.2636","","","","","","1.221","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518011","14.4706","0.0003","8.739","0.0002","17.7308","0.0003","90","","107.865","0.001","90","","2134.1","0.08","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 O8 -","- C27 H20 O8 -","- C108 H80 O32 -","4","1","","Zhao, Si-Meng; Wang, Zhe; Zeng, Guang-Zhi; Song, Wei-Wu; Chen, Xiao-Qiang; Li, Xiao-Nian; Tan, Ning-Hua","New Cytotoxic Naphthohydroquinone Dimers from Rubia alata.","Organic letters","2014","16","21","5576","5579","10.1021/ol502603f","","","1.54178","CuKα","","0.0497","0.0489","","","0.1394","0.1401","","","","","","1.072","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518012","9.135","0.005","11.634","0.005","20.55","0.005","90","0.005","90","0.005","90","0.005","2184","1.6","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N3 O2 -","- C26 H21 N3 O2 -","- C104 H84 N12 O8 -","4","1","","Rout, Subhrajit; Ray, Sumit K.; Unhale, Rajshekhar A.; Singh, Vinod K.","Asymmetric direct vinylogous Michael addition to 2-enoylpyridine N-oxides catalyzed by bifunctional thio-urea.","Organic letters","2014","16","21","5568","5571","10.1021/ol5025794","","","0.71069","MoKα","","0.0656","0.047","","","0.0999","0.1097","","","","","","1.052","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518013","5.844","0.005","24.19","0.005","17.139","0.005","90","0.005","98.979","0.005","90","0.005","2393","2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H25 N3 O3 S -","- C26 H19 N3 O2 S -","- C104 H76 N12 O8 S4 -","4","2","","Rout, Subhrajit; Ray, Sumit K.; Unhale, Rajshekhar A.; Singh, Vinod K.","Asymmetric direct vinylogous Michael addition to 2-enoylpyridine N-oxides catalyzed by bifunctional thio-urea.","Organic letters","2014","16","21","5568","5571","10.1021/ol5025794","","","0.71069","MoKα","","0.1002","0.0727","","","0.1871","0.2208","","","","","","1.078","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1518014","9.9083","0.0017","14.668","0.003","17.891","0.003","69.407","0.002","78.799","0.002","74.676","0.002","2332.7","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H28 N2 O5 -","- C25 H28 N2 O5 -","- C100 H112 N8 O20 -","4","2","","Jia, Shuanglong; Su, Shikuan; Li, Chunju; Jia, Xueshun; Li, Jian","Multicomponent cascade cycloaddition involving tropone, allenoate, and isocyanide: a rapid access to a 7,6,5-fused tricyclic skeleton.","Organic letters","2014","16","21","5604","5607","10.1021/ol502656g","","","0.71073","MoKα","","0.0942","0.0539","","","0.1202","0.1419","","","","","","1.025","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518015","9.75","0.02","10.13","0.03","11.93","0.03","102.05","0.03","97.02","0.03","99.45","0.03","1122","5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H29 N O3 -","- C25 H29 N O3 -","- C50 H58 N2 O6 -","2","1","","Jia, Shuanglong; Su, Shikuan; Li, Chunju; Jia, Xueshun; Li, Jian","Multicomponent cascade cycloaddition involving tropone, allenoate, and isocyanide: a rapid access to a 7,6,5-fused tricyclic skeleton.","Organic letters","2014","16","21","5604","5607","10.1021/ol502656g","","","0.71073","MoKα","","0.0552","0.0444","","","0.1221","0.1319","","","","","","1.046","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518016","19.359","0.018","11.219","0.011","7.697","0.007","90","","93.446","0.014","90","","1669","3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 F7 O4 -","- C16 H13 F7 O4 -","- C64 H52 F28 O16 -","4","1","","Bera, Milan; Modak, Atanu; Patra, Tuhin; Maji, Arun; Maiti, Debabrata","Meta-selective arene C-h bond olefination of arylacetic Acid using a nitrile-based directing group.","Organic letters","2014","16","21","5760","5763","10.1021/ol502823c","","","0.7107","MoKα","","","0.0872","","","","0.2444","","","","","","1.089","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518037","11.5189","0.0013","20.166","0.002","12.1082","0.001","90","","99.379","0.01","90","","2775","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 O5 P -","- C31 H31 O5 P -","- C124 H124 O20 P4 -","4","1","","Zhou, Zhao-Zhao; Jin, Dong-Po; Li, Lian-Hua; He, Yu-Tao; Zhou, Ping-Xin; Yan, Xiao-Biao; Liu, Xue-Yuan; Liang, Yong-Min","Silver-promoted oxidative cyclization of 1,6-enynes: highly regioselective synthesis of phosphorated fluorene derivatives.","Organic letters","2014","16","21","5616","5619","10.1021/ol502397f","","","0.71073","MoKα","","0.1487","0.0724","","","0.1549","0.2127","","","","","","0.999","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518047","6.1577","0.0001","16.993","0.0003","7.443","0.0001","90","","91.874","0.001","90","","778.4","0.02","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H20 Cl F2 N3 O5 -","- C12 H20 Cl F2 N3 O5 -","- C24 H40 Cl2 F4 N6 O10 -","2","1","","Tambutet, Guillaume; Becerril-Jiménez, Fabiola; Dostie, Starr; Simard, Ryan; Prévost, Michel; Mochirian, Philippe; Guindon, Yvan","Dual-face nucleoside scaffold featuring a stereogenic all-carbon quaternary center. Intramolecular silicon tethered group-transfer reaction.","Organic letters","2014","16","21","5698","5701","10.1021/ol502777r","","x-ray","1.54178","CuKα","","0.023","0.0229","","","0.0604","0.0605","","","","","","1.056","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518048","11.0001","0.0011","11.6331","0.0009","10.9008","0.0012","90","","111.062","0.012","90","","1301.7","0.2","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O S -","- C15 H14 N2 O S -","- C60 H56 N8 O4 S4 -","4","1","","Chen, Fa-Jie; Liao, Gang; Li, Xin; Wu, Jun; Shi, Bing-Feng","Cu(II)-Mediated C-S/N-S Bond Formation via C-H Activation: Access to Benzoisothiazolones Using Elemental Sulfur.","Organic letters","2014","16","21","5644","5647","10.1021/ol5027156","","","0.71073","MoKα","","0.0691","0.0454","","","0.0995","0.1179","","","","","","1.045","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518049","8.3735","0.0014","14.39","0.003","10.3466","0.0018","90","","91.339","0.004","90","","1246.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 N2 S -","- C15 H10 N2 S -","- C60 H40 N8 S4 -","4","1","","Mitra, Shubhanjan; Chakraborty, Amrita; Mishra, Subhajit; Majee, Adinath; Hajra, Alakananda","Copper(I)-Catalyzed Oxidative Coupling between 2-Aminobenzothiazole and Terminal Alkyne: Formation of Benzothiazine.","Organic letters","2014","16","21","5652","5655","10.1021/ol502729c","","","0.71073","MoKα","","0.0532","0.0479","","","0.138","0.146","","","","","","0.947","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518071","5.0198","0.0003","9.5967","0.0006","10.9206","0.0007","84.776","0.002","82.397","0.002","83.744","0.002","516.78","0.06","298","2","298","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H26 N2 O9 -","- C17 H26 N2 O9 -","- C17 H26 N2 O9 -","1","1","","Blériot, Yves; Auberger, Nicolas; Jagadeesh, Yerri; Gauthier, Charles; Prencipe, Giuseppe; Tran, Anh Tuan; Marrot, Jérôme; Désiré, Jérôme; Yamamoto, Arisa; Kato, Atsushi; Sollogoub, Matthieu","Synthesis of 1,2-cis-Homoiminosugars Derived from GlcNAc and GalNAc Exploiting a β-Amino Alcohol Skeletal Rearrangement.","Organic letters","2014","16","21","5512","5515","10.1021/ol502926f","","","0.71073","MoKα","","0.0534","0.0428","","","0.1172","0.1269","","","","","","1.046","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518072","12.3878","0.0011","9.8635","0.0009","16.296","0.0014","90","","100.385","0.001","90","","1958.5","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 O2 -","- C26 H24 O2 -","- C104 H96 O8 -","4","1","","Seetha Lakshmi, K. C.; Sinu, C. R.; Padmaja, D. V. M.; Gopinathan, Anilkumar; Suresh, Eringathodi; Nair, Vijay","A novel intramolecular homoenolate annulation leading to the formation of cyclopentene-fused macrocycles.","Organic letters","2014","16","21","5532","5535","10.1021/ol5023239","","","0.71073","MoKα","","0.0557","0.0494","","","0.1343","0.1404","","","","","","1.036","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518073","21.979","0.007","3.805","0.0012","12.816","0.004","90","","125.112","0.004","90","","876.8","0.5","110","2","110","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C22 H18 O6 -","- C22 H18 O6 -","- C44 H36 O12 -","2","0.5","","Dang, Hai-Yan; Wang, Zi-Tian; Cheng, Ying","Changing reaction pathways of the dimerization of 2-formylcinnamates by N-heterocyclic carbene/lewis Acid cooperative catalysis: an unusual cleavage of the carbon-carbon bond.","Organic letters","2014","16","21","5520","5523","10.1021/ol502791s","","","0.71073","MoKα","","0.0727","0.0652","","","0.1607","0.1683","","","","","","1.103","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518074","9.9407","0.0014","14.417","0.002","6.4365","0.0012","90","","97.175","0.006","90","","915.2","0.2","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 O6 -","- C22 H20 O6 -","- C44 H40 O12 -","2","0.5","","Dang, Hai-Yan; Wang, Zi-Tian; Cheng, Ying","Changing reaction pathways of the dimerization of 2-formylcinnamates by N-heterocyclic carbene/lewis Acid cooperative catalysis: an unusual cleavage of the carbon-carbon bond.","Organic letters","2014","16","21","5520","5523","10.1021/ol502791s","","","0.71075","MoKα","","0.0676","0.052","","","0.1356","0.1461","","","","","","1.123","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518075","7.334","0.005","11.646","0.011","17.387","0.011","87.438","0.012","82.139","0.012","81.481","0.012","1454.4","1.9","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H14 O4 -","- C19 H14 O4 -","- C76 H56 O16 -","4","2","","Dang, Hai-Yan; Wang, Zi-Tian; Cheng, Ying","Changing reaction pathways of the dimerization of 2-formylcinnamates by N-heterocyclic carbene/lewis Acid cooperative catalysis: an unusual cleavage of the carbon-carbon bond.","Organic letters","2014","16","21","5520","5523","10.1021/ol502791s","","","0.71073","MoKα","","0.1375","0.0981","","","0.2533","0.2807","","","","","","0.988","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518104","13.0065","0.0004","9.6974","0.0003","13.4106","0.0005","90","","108.156","0.004","90","","1607.25","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 Cl2 N O6 -","- C15 H13 Cl2 N O6 -","- C60 H52 Cl8 N4 O24 -","4","1","","Garve, Lennart K. B.; Barkawitz, Philip; Jones, Peter G.; Werz, Daniel B.","Ring-opening 1,3-dichlorination of donor-acceptor cyclopropanes by iodobenzene dichloride.","Organic letters","2014","16","21","5804","5807","10.1021/ol5029139","","","0.71073","MoKα","","0.0362","0.0294","","","0.068","0.0715","","","","","","1.048","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518105","11.5762","0.0018","13.295","0.002","11.717","0.0019","90","","94.065","0.004","90","","1798.8","0.5","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H8 N6 S3 -","- C20 H8 N6 S3 -","- C80 H32 N24 S12 -","4","1","","Kohl, Bernd; Over, Lena Charlotte; Lohr, Thorsten; Vasylyeva, Mariya; Rominger, Frank; Mastalerz, Michael","Selective Even-Numbered Bromination of Triptycene Tris(thiadiazoles).","Organic letters","2014","16","21","5596","5599","10.1021/ol502639x","","","0.71073","MoKα","","0.0589","0.042","","","0.0909","0.1025","","","","","","1.059","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518106","16.177","0.003","10.0848","0.0017","17.552","0.003","90","","96.892","0.005","90","","2842.8","0.9","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H20 N6 O2 S3 -","- C34 H20 N6 O2 S3 -","- C136 H80 N24 O8 S12 -","4","1","","Kohl, Bernd; Over, Lena Charlotte; Lohr, Thorsten; Vasylyeva, Mariya; Rominger, Frank; Mastalerz, Michael","Selective Even-Numbered Bromination of Triptycene Tris(thiadiazoles).","Organic letters","2014","16","21","5596","5599","10.1021/ol502639x","","","0.71073","MoKα","","0.0959","0.0554","","","0.1143","0.1392","","","","","","1.061","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518107","12.1222","0.0017","14.719","0.0019","15.016","0.002","81.818","0.003","81.662","0.004","87.213","0.003","2622.9","0.6","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C21.5 H7.5 Br2 Cl4.5 N6 S3 -","- C21.5 H7.5 Br2 Cl4.5 N6 S3 -","- C86 H30 Br8 Cl18 N24 S12 -","4","2","","Kohl, Bernd; Over, Lena Charlotte; Lohr, Thorsten; Vasylyeva, Mariya; Rominger, Frank; Mastalerz, Michael","Selective Even-Numbered Bromination of Triptycene Tris(thiadiazoles).","Organic letters","2014","16","21","5596","5599","10.1021/ol502639x","","","0.71073","MoKα","","0.0668","0.0452","","","0.1057","0.1153","","","","","","1.022","","","","has coordinates,has disorder","301776","2025-08-18","14:47:52",""
"1518108","17.2653","0.0011","9.9127","0.0006","13.9514","0.001","90","","97.8231","0.0019","90","","2365.5","0.3","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H12 N6 S5 -","- C28 H12 N6 S5 -","- C112 H48 N24 S20 -","4","0.5","","Kohl, Bernd; Over, Lena Charlotte; Lohr, Thorsten; Vasylyeva, Mariya; Rominger, Frank; Mastalerz, Michael","Selective Even-Numbered Bromination of Triptycene Tris(thiadiazoles).","Organic letters","2014","16","21","5596","5599","10.1021/ol502639x","","","0.71073","MoKα","","0.067","0.0517","","","0.1217","0.1308","","","","","","1.081","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518109","9.1287","0.0002","14.7136","0.0003","22.5741","0.0004","90","","90","","90","","3032.06","0.11","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H25 Cl2 N3 O8 -","- C34 H25 Cl2 N3 O8 -","- C136 H100 Cl8 N12 O32 -","4","1","","Raja, Arun; Hong, Bor-Cherng; Lee, Gene-Hsiang","Organocatalytic enantioselective Michael-Michael-Michael-aldol condensation reactions: control of five stereocenters in a quadruple-cascade asymmetric synthesis of highly functionalized hexahydrophenanthrenes.","Organic letters","2014","16","21","5756","5759","10.1021/ol502821e","","","0.71073","MoKα","","0.0639","0.0374","","","0.0782","0.0853","","","","","","1.007","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518118","7.4122","0.0002","19.7006","0.0007","14.0756","0.0005","90","","99.641","0.003","90","","2026.36","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N O3 S2 -","- C23 H19 N O3 S2 -","- C92 H76 N4 O12 S8 -","4","1","","Manjappa, Kiran B.; Jhang, Wei-Fang; Huang, Shin-Yi; Yang, Ding-Yah","Microwave-Promoted, Metal- and Catalyst-Free Decarboxylative α,β-Difunctionlization of Secondary α-Amino Acids via Pseudo-Four-Component Reactions.","Organic letters","2014","16","21","5690","5693","10.1021/ol5027574","","x-ray","0.71073","MoKα","","0.0672","0.0478","","","0.1058","0.116","","","","","","1.084","","","","has coordinates,has disorder","301776","2025-08-18","14:47:52",""
"1518119","9.3779","0.0008","9.7764","0.0011","15.0082","0.0013","72.336","0.009","85.409","0.007","73.35","0.008","1256.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H35 N O4 -","- C29 H35 N O4 -","- C58 H70 N2 O8 -","2","1","","Manjappa, Kiran B.; Jhang, Wei-Fang; Huang, Shin-Yi; Yang, Ding-Yah","Microwave-Promoted, Metal- and Catalyst-Free Decarboxylative α,β-Difunctionlization of Secondary α-Amino Acids via Pseudo-Four-Component Reactions.","Organic letters","2014","16","21","5690","5693","10.1021/ol5027574","","x-ray","0.71073","MoKα","","0.0696","0.05","","","0.1085","0.1224","","","","","","1.028","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518120","9.8063","0.0004","15.3229","0.0005","14.4437","0.0005","90","","99.159","0.002","90","","2142.65","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 N O3 -","- C27 H23 N O3 -","- C108 H92 N4 O12 -","4","1","","Manjappa, Kiran B.; Jhang, Wei-Fang; Huang, Shin-Yi; Yang, Ding-Yah","Microwave-Promoted, Metal- and Catalyst-Free Decarboxylative α,β-Difunctionlization of Secondary α-Amino Acids via Pseudo-Four-Component Reactions.","Organic letters","2014","16","21","5690","5693","10.1021/ol5027574","","x-ray","0.71073","MoKα","","0.0879","0.0535","","","0.1425","0.1735","","","","","","1.052","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518121","35.989","0.005","9.0656","0.0011","10.96","0.0017","90","","99.383","0.004","90","","3528","0.9","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Br2 N2 O4 -","- C16 H14 Br2 N2 O4 -","- C128 H112 Br16 N16 O32 -","8","1","","Du, Yu; Wang, Yuhuang; Li, Xin; Shao, Yaling; Li, Guohui; Webster, Richard D.; Chi, Yonggui Robin","N-Heterocyclic Carbene Organocatalytic Reductive β,β-Coupling Reactions of Nitroalkenes via Radical Intermediates.","Organic letters","2014","16","21","5678","5681","10.1021/ol5027415","","","0.71073","MoKα","","0.1038","0.0617","","","0.1432","0.1602","","","","","","1.095","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518126","10.4731","0.0008","14.7286","0.0011","11.7998","0.0009","90","","93.328","0.001","90","","1817.1","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 Br2 O S -","- C21 H12 Br2 O S -","- C84 H48 Br8 O4 S4 -","4","1","","Inami, Tasuku; Kurahashi, Takuya; Matsubara, Seijiro","Nickel-catalyzed reaction of thioisatins and alkynes: a facile synthesis of thiochromones.","Organic letters","2014","16","21","5660","5662","10.1021/ol5026102","","","0.71073","MoKα","","0.0437","0.0315","","","0.0783","0.0824","","","","","","1.028","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518127","5.591","0.002","16.262","0.006","21.37","0.008","90","","91.569","0.008","90","","1942.2","1.2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 F3 O2 S -","- C23 H15 F3 O2 S -","- C92 H60 F12 O8 S4 -","4","1","","Inami, Tasuku; Kurahashi, Takuya; Matsubara, Seijiro","Nickel-catalyzed reaction of thioisatins and alkynes: a facile synthesis of thiochromones.","Organic letters","2014","16","21","5660","5662","10.1021/ol5026102","","","0.71073","MoKα","","0.1576","0.0799","","","0.1923","0.2336","","","","","","0.985","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518128","8.9939","0.0015","8.1628","0.0014","17.126","0.003","90","","104.252","0.003","90","","1218.6","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 O S -","- C14 H14 O S -","- C56 H56 O4 S4 -","4","1","","Inami, Tasuku; Kurahashi, Takuya; Matsubara, Seijiro","Nickel-catalyzed reaction of thioisatins and alkynes: a facile synthesis of thiochromones.","Organic letters","2014","16","21","5660","5662","10.1021/ol5026102","","","0.71073","MoKα","","0.0551","0.0479","","","0.1348","0.1414","","","","","","1.066","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518129","5.3276","0.0009","13.983","0.002","19.681","0.003","90","","94.9","0.003","90","","1460.8","0.4","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 O S -","- C16 H20 O S -","- C64 H80 O4 S4 -","4","1","","Inami, Tasuku; Kurahashi, Takuya; Matsubara, Seijiro","Nickel-catalyzed reaction of thioisatins and alkynes: a facile synthesis of thiochromones.","Organic letters","2014","16","21","5660","5662","10.1021/ol5026102","","","0.71073","MoKα","","0.063","0.0541","","","0.1462","0.1553","","","","","","1.044","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518130","7.31","0.005","15.202","0.011","12.49","0.009","90","","92.609","0.014","90","","1386.5","1.7","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 O S Si -","- C13 H16 O S Si -","- C52 H64 O4 S4 Si4 -","4","1","","Inami, Tasuku; Kurahashi, Takuya; Matsubara, Seijiro","Nickel-catalyzed reaction of thioisatins and alkynes: a facile synthesis of thiochromones.","Organic letters","2014","16","21","5660","5662","10.1021/ol5026102","","","0.71073","MoKα","","0.1184","0.0696","","","0.1927","0.2254","","","","","","1.04","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518131","5.8126","0.0009","12.6069","0.0019","13.068","0.002","102.911","0.002","92.604","0.002","90.251","0.002","932.3","0.2","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H29 N O3 -","- C18 H29 N O3 -","- C36 H58 N2 O6 -","2","2","","Arai, Kenzo; Buonamici, Silvia; Chan, Betty; Corson, Laura; Endo, Atsushi; Gerard, Baudouin; Hao, Ming-Hong; Karr, Craig; Kira, Kazunobu; Lee, Linda; Liu, Xiang; Lowe, Jason T.; Luo, Tuoping; Marcaurelle, Lisa A.; Mizui, Yoshiharu; Nevalainen, Marta; O'Shea, Morgan Welzel; Park, Eun Sun; Perino, Samantha A.; Prajapati, Sudeep; Shan, Mingde; Smith, Peter G.; Tivitmahaisoon, Parcharee; Wang, John Yuan; Warmuth, Markus; Wu, Kuo-Ming; Yu, Lihua; Zhang, Huiming; Zheng, Guo-Zhu; Keaney, Gregg F.","Total Synthesis of 6-Deoxypladienolide D and Assessment of Splicing Inhibitory Activity in a Mutant SF3B1 Cancer Cell Line.","Organic letters","2014","16","21","5560","5563","10.1021/ol502556c","","x-ray","0.71073","MoKα","","0.067","0.0502","","","0.1173","0.1286","","","","","","1.024","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518132","10.5788","0.001","7.7312","0.0007","10.8099","0.001","90","","90.385","0.001","90","","884.09","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C42 H52 N4 O6 -","2","1","","Yang, Xing-Wei; Yang, Cui-Ping; Jiang, Li-Ping; Qin, Xu-Jie; Liu, Ya-Ping; Shen, Qiu-Shuo; Chen, Yong-Bin; Luo, Xiao-Dong","Indole alkaloids with new skeleton activating neural stem cells.","Organic letters","2014","16","21","5808","5811","10.1021/ol5029223","","","0.71073","MoKα","","0.0318","0.031","","","0.0836","0.0843","","","","","","1.08","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518133","10.2476","0.0004","7.3019","0.0003","10.2973","0.0004","90","","94.765","0.001","90","","767.85","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H24 N2 O -","- C19 H24 N2 O -","- C38 H48 N4 O2 -","2","1","","Yang, Xing-Wei; Yang, Cui-Ping; Jiang, Li-Ping; Qin, Xu-Jie; Liu, Ya-Ping; Shen, Qiu-Shuo; Chen, Yong-Bin; Luo, Xiao-Dong","Indole alkaloids with new skeleton activating neural stem cells.","Organic letters","2014","16","21","5808","5811","10.1021/ol5029223","","","1.54178","CuKα","","0.051","0.051","","","0.1448","0.1448","","","","","","1.174","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518134","21.221","0.002","9.6494","0.0008","12.1702","0.0011","90","","105.393","0.004","90","","2402.7","0.4","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H27 Cl N2 S -","- C28 H27 Cl N2 S -","- C112 H108 Cl4 N8 S4 -","4","1","","Ranjan, Alok; Yerande, Ragini; Wakchaure, Prasad B.; Yerande, Swapnil G.; Dethe, Dattatraya H.","Base-Mediated Hydroamination of Propargylamine: A Regioselective Intramolecular 5-exo-dig Cycloisomerization en Route to Imidazole-2-thione.","Organic letters","2014","16","21","5788","5791","10.1021/ol502871r","","x-ray","0.71073","MoKα","","0.0335","0.0291","","","0.0612","0.0627","","","","","","1.054","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518135","5.394","0.005","14.787","0.005","15.397","0.005","89.647","0.005","89.551","0.005","84.285","0.005","1221.9","1.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H38 N2 O -","- C29 H38 N2 O -","- C58 H76 N4 O2 -","2","1","","Ranjan, Alok; Yerande, Ragini; Wakchaure, Prasad B.; Yerande, Swapnil G.; Dethe, Dattatraya H.","Base-Mediated Hydroamination of Propargylamine: A Regioselective Intramolecular 5-exo-dig Cycloisomerization en Route to Imidazole-2-thione.","Organic letters","2014","16","21","5788","5791","10.1021/ol502871r","","","0.71069","MoKα","","0.0944","0.064","","","0.1631","0.198","","","","","","1.066","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518136","12.094","0.005","10.536","0.004","16.197","0.006","90","","93.045","0.007","90","","2060.9","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N2 S -","- C24 H28 N2 S -","- C96 H112 N8 S4 -","4","1","","Ranjan, Alok; Yerande, Ragini; Wakchaure, Prasad B.; Yerande, Swapnil G.; Dethe, Dattatraya H.","Base-Mediated Hydroamination of Propargylamine: A Regioselective Intramolecular 5-exo-dig Cycloisomerization en Route to Imidazole-2-thione.","Organic letters","2014","16","21","5788","5791","10.1021/ol502871r","","","0.71073","MoKα","","0.0761","0.0523","","","0.132","0.1746","","","","","","0.947","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518137","7.6526","0.0002","14.3216","0.0004","17.7284","0.0005","83.319","0.001","81.257","0.001","75.385","0.001","1852.08","0.09","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N O4 -","- C22 H25 N O4 -","- C88 H100 N4 O16 -","4","2","","Denizot, Natacha; Pouilhès, Annie; Cucca, Mélissa; Beaud, Rodolphe; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Bioinspired direct access to benzofuroindolines by oxidative [3 + 2] annulation of phenols and indoles.","Organic letters","2014","16","21","5752","5755","10.1021/ol502820p","","x-ray","0.71073","MoKα","","0.09","0.0543","","","0.1243","0.1435","","","","","","1.033","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518138","15.4467","0.0014","16.2308","0.0015","7.0318","0.0006","90","","90","","90","","1763","0.3","100","1","100","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H22 N2 O3 -","- C22 H22 N2 O3 -","- C88 H88 N8 O12 -","4","1","","Denizot, Natacha; Pouilhès, Annie; Cucca, Mélissa; Beaud, Rodolphe; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Bioinspired direct access to benzofuroindolines by oxidative [3 + 2] annulation of phenols and indoles.","Organic letters","2014","16","21","5752","5755","10.1021/ol502820p","","x-ray","0.71073","MoKα","","0.1413","0.0663","","","0.1174","0.1416","","","","","","0.996","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518151","5.9343","0.0012","11.372","0.002","23.049","0.005","90","","90","","90","","1555.5","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Br N O3 -","- C18 H16 Br N O3 -","- C72 H64 Br4 N4 O12 -","4","1","","He, Ling; Zhao, Liang; Wang, De-Xian; Wang, Mei-Xiang","Catalytic asymmetric difunctionalization of stable tertiary enamides with salicylaldehydes: highly efficient, enantioselective, and diastereoselective synthesis of diverse 4-chromanol derivatives.","Organic letters","2014","16","22","5972","5975","10.1021/ol5029964","","","0.71073","MoKα","","0.0379","0.0347","","","0.0776","0.0802","","","","","","1.077","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518152","14.001","0.003","10.574","0.002","13.214","0.003","90","","110.89","0.03","90","","1827.7","0.8","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19.5 H19 Br N O3.5 -","- C19.5 H19 Br N O3.5 -","- C78 H76 Br4 N4 O14 -","4","1","","He, Ling; Zhao, Liang; Wang, De-Xian; Wang, Mei-Xiang","Catalytic asymmetric difunctionalization of stable tertiary enamides with salicylaldehydes: highly efficient, enantioselective, and diastereoselective synthesis of diverse 4-chromanol derivatives.","Organic letters","2014","16","22","5972","5975","10.1021/ol5029964","","","0.71073","MoKα","","0.0389","0.0361","","","0.0849","0.0865","","","","","","1.09","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518153","16.5841","0.0003","6.431","0.0001","18.0484","0.0004","90","","104.578","0.002","90","","1862.93","0.06","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H22 Br N O3 -","- C20 H22 Br N O3 -","- C80 H88 Br4 N4 O12 -","4","2","","Zhan, Gu; He, Qing; Yuan, Xin; Chen, Ying-Chun","Asymmetric direct vinylogous Michael additions of allyl alkyl ketones to maleimides through dienamine catalysis.","Organic letters","2014","16","22","6000","6003","10.1021/ol503017h","","","1.54184","CuKα","","0.058","0.0528","","","0.1552","0.1625","","","","","","1.052","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518156","13.3862","0.0017","23.118","0.003","26.137","0.003","77.272","0.003","88.52","0.003","86.926","0.003","7877.5","1.7","150","2","150","2","","","","","","","","3","P -1","-P 1","2","Beta-ethano-linked tris(sexithienyl) cage","","","- C154 H192 S18 -","- C146 H164 S18 -","- C292 H328 S36 -","2","1","","Adachi, Kazuhiko; Hirao, Yasukazu; Matsumoto, Kouzou; Kubo, Takashi; Kurata, Hiroyuki","Synthesis of sexithiophene-bridged cage compound: a new class of three-dimensionally expanded oligothiophenes.","Organic letters","2014","16","22","5870","5873","10.1021/ol5027816","","","0.71075","MoKα","","0.195","0.083","","","0.217","0.2405","","","","","","0.829","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518157","14.1021","0.0009","14.456","0.0009","15.5321","0.0016","100.882","0.0015","113.427","0.0016","110","0.003","2529.1","0.4","200","2","200","2","","","","","","","","3","P -1","-P 1","2","Beta-ethano-linked bis(sexithienyl) cycle","","","- C106 H136 S12 -","- C106 H136 S12 -","- C106 H136 S12 -","1","0.5","","Adachi, Kazuhiko; Hirao, Yasukazu; Matsumoto, Kouzou; Kubo, Takashi; Kurata, Hiroyuki","Synthesis of sexithiophene-bridged cage compound: a new class of three-dimensionally expanded oligothiophenes.","Organic letters","2014","16","22","5870","5873","10.1021/ol5027816","","","0.71075","MoKα","","0.0836","0.0698","","","0.1813","0.1938","","","","","","1.133","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518175","13.6675","0.0008","27.6576","0.0016","28.2284","0.0016","62.073","0.002","88.936","0.002","86.633","0.002","9411.2","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H64 F24 N8 O10 P4 -","- C74 H64 F24 N8 O10 P4 -","- C296 H256 F96 N32 O40 P16 -","4","2","","Liu, Hua; Li, Xiao-Yan; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","[2]Pseudorotaxanes and [2]catenanes constructed by oxacalixcrowns/viologen molecular recognition motifs.","Organic letters","2014","16","22","5894","5897","10.1021/ol502869u","","","0.71073","MoKα","","0.1219","0.0755","","","0.2065","0.2292","","","","","","0.962","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518176","24.3811","0.0008","17.445","0.0006","20.4684","0.0007","90","","91.25","0.001","90","","8703.7","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H62 F24 N8 O10 P4 -","- C66 H62 F24 N8 O10 P4 -","- C264 H248 F96 N32 O40 P16 -","4","1","","Liu, Hua; Li, Xiao-Yan; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","[2]Pseudorotaxanes and [2]catenanes constructed by oxacalixcrowns/viologen molecular recognition motifs.","Organic letters","2014","16","22","5894","5897","10.1021/ol502869u","","","0.71073","MoKα","","0.1596","0.1016","","","0.2953","0.3298","","","","","","1.036","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518177","16.4977","0.0007","18.1051","0.0008","19.5351","0.0009","90","","90","","90","","5835","0.4","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C51 H44 F12 N6 O13 P2 -","- C51 H44 F12 N6 O13 P2 -","- C204 H176 F48 N24 O52 P8 -","4","0.5","","Liu, Hua; Li, Xiao-Yan; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","[2]Pseudorotaxanes and [2]catenanes constructed by oxacalixcrowns/viologen molecular recognition motifs.","Organic letters","2014","16","22","5894","5897","10.1021/ol502869u","","","0.71073","MoKα","","0.0918","0.0709","","","0.2033","0.2265","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518178","8.4366","0.0006","8.812","0.0006","11.1014","0.0008","83.374","0.006","87.099","0.006","87.095","0.006","817.91","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H15 N O2 -","- C22 H15 N O2 -","- C44 H30 N2 O4 -","2","1","","Wu, Jie; Lan, Jingbo; Guo, Siyuan; You, Jingsong","Pd-catalyzed C-H carbonylation of (hetero)arenes with formates and intramolecular dehydrogenative coupling: a shortcut to indolo[3,2-c]coumarins.","Organic letters","2014","16","22","5862","5865","10.1021/ol502749b","","","0.7107","MoKα","","0.1082","0.0576","","","0.1254","0.1533","","","","","","1.03","","","","has coordinates,has disorder","301776","2025-08-18","14:47:52",""
"1518179","11.7149","0.00016","11.30687","0.00012","13.08437","0.00017","90","","95.1593","0.0012","90","","1726.12","0.04","293.15","","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","1","","Wu, Jie; Lan, Jingbo; Guo, Siyuan; You, Jingsong","Pd-catalyzed C-H carbonylation of (hetero)arenes with formates and intramolecular dehydrogenative coupling: a shortcut to indolo[3,2-c]coumarins.","Organic letters","2014","16","22","5862","5865","10.1021/ol502749b","","x-ray","1.54184","CuKα","","0.0515","0.0469","","","0.1381","0.1433","","","","","","1.053","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518180","13.264","0.002","9.5605","0.0014","14.416","0.002","90","","104.88","0.003","90","","1766.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 Br2 N O3 -","- C18 H21 Br2 N O3 -","- C72 H84 Br8 N4 O12 -","4","1","","Mantelingu, Kempegowda; Lin, Yingfu; Seidel, Daniel","Intramolecular [3 + 2]-cycloadditions of azomethine ylides derived from secondary amines via redox-neutral C-H functionalization.","Organic letters","2014","16","22","5910","5913","10.1021/ol502918g","","","0.71073","MoKα","","0.0402","0.0301","","","0.0696","0.0731","","","","","","1.005","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518181","10.5493","0.001","15.5828","0.0015","21.01","0.002","90","","99.522","0.002","90","","3406.2","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H19 Br2 N O3 -","- C17 H19 Br2 N O3 -","- C136 H152 Br16 N8 O24 -","8","1","","Mantelingu, Kempegowda; Lin, Yingfu; Seidel, Daniel","Intramolecular [3 + 2]-cycloadditions of azomethine ylides derived from secondary amines via redox-neutral C-H functionalization.","Organic letters","2014","16","22","5910","5913","10.1021/ol502918g","","","0.71073","MoKα","","0.038","0.0286","","","0.0697","0.0731","","","","","","1.001","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518182","11.9038","0.0008","9.3509","0.0006","20.79","0.0014","90","","97.402","0.0014","90","","2294.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 N O3 -","- C28 H27 N O3 -","- C112 H108 N4 O12 -","4","1","","Mantelingu, Kempegowda; Lin, Yingfu; Seidel, Daniel","Intramolecular [3 + 2]-cycloadditions of azomethine ylides derived from secondary amines via redox-neutral C-H functionalization.","Organic letters","2014","16","22","5910","5913","10.1021/ol502918g","","","0.71073","MoKα","","0.0768","0.0561","","","0.1277","0.1357","","","","","","1","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518183","17.7224","0.0017","12.6053","0.0012","8.4669","0.0008","90","","100.641","0.002","90","","1858.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Br N O3 -","- C22 H22 Br N O3 -","- C88 H88 Br4 N4 O12 -","4","1","","Mantelingu, Kempegowda; Lin, Yingfu; Seidel, Daniel","Intramolecular [3 + 2]-cycloadditions of azomethine ylides derived from secondary amines via redox-neutral C-H functionalization.","Organic letters","2014","16","22","5910","5913","10.1021/ol502918g","","","0.71073","MoKα","","0.0426","0.0339","","","0.0813","0.085","","","","","","1.002","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518184","14.1928","0.0013","17.7023","0.0016","10.7282","0.001","90","","90","","90","","2695.4","0.4","120","2","119.99","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C24 H27 O9.5 -","- C24 H27 O9.5 -","- C96 H108 O38 -","4","1","","Luo, Jian-Guang; Wang, Xiao-Bing; Xu, Ya-Ming; U'Ren, Jana M; Arnold, A. Elizabeth; Kong, Ling-Yi; Gunatilaka, A. A. Leslie","Delitschiapyrone A, a pyrone-naphthalenone adduct bearing a new pentacyclic ring system from the leaf-associated fungus Delitschia sp. FL1581.","Organic letters","2014","16","22","5944","5947","10.1021/ol502973c","","","0.71073","MoKα","","0.0924","0.0774","","","0.1827","0.1894","","","","","","1.167","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518193","15.116","0.003","8.2473","0.0016","12.417","0.003","90","","104.84","0.03","90","","1496.3","0.6","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 F3 N O2 -","- C17 H14 F3 N O2 -","- C68 H56 F12 N4 O8 -","4","1","","Han, Guifang; Wang, Qiang; Liu, Yuxiu; Wang, Qingmin","Copper-mediated α-trifluoromethylation of N-phenylcinnamamides coupled with dearomatization: access to trifluoromethylated 1-azaspiro[4.5]decanes.","Organic letters","2014","16","22","5914","5917","10.1021/ol502921a","","","0.71073","MoKα","","0.0556","0.0436","","","0.1213","0.1301","","","","","","1.041","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518194","10.383","0.002","11.016","0.002","17.728","0.004","90","","90.68","0.03","90","","2027.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 F3 N O4 -","- C22 H20 F3 N O4 -","- C88 H80 F12 N4 O16 -","4","1","","Han, Guifang; Wang, Qiang; Liu, Yuxiu; Wang, Qingmin","Copper-mediated α-trifluoromethylation of N-phenylcinnamamides coupled with dearomatization: access to trifluoromethylated 1-azaspiro[4.5]decanes.","Organic letters","2014","16","22","5914","5917","10.1021/ol502921a","","","0.71073","MoKα","","0.12","0.0882","","","0.2386","0.2655","","","","","","1.125","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518195","37.202","0.003","8.9299","0.001","9.4735","0.0007","90","","90","","90","","3147.2","0.5","294.39","0.1","294.39","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C128 H152 N8 O24 -","8","1","","Li, Pan; Zhao, Jingjing; Xia, Chungu; Li, Fuwei","Direct oxidative coupling of enamides and 1,3-dicarbonyl compounds: a facile and versatile approach to dihydrofurans, furans, pyrroles, and dicarbonyl enamides.","Organic letters","2014","16","22","5992","5995","10.1021/ol503009f","","","0.71073","MoKα","","0.1662","0.0821","","","0.1846","0.2311","","","","","","1.038","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518196","10.3815","0.0004","8.8496","0.0003","16.7103","0.0006","90","","99.942","0.004","90","","1512.16","0.1","292.82","0.1","292.82","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 F2 N O5 -","- C15 H17 F2 N O5 -","- C60 H68 F8 N4 O20 -","4","1","","Wang, Lin; Wei, Xiao-Jing; Jia, Wen-Liang; Zhong, Jian-Ji; Wu, Li-Zhu; Liu, Qiang","Visible-light-driven difluoroacetamidation of unactive arenes and heteroarenes by direct C-H functionalization at room temperature.","Organic letters","2014","16","22","5842","5845","10.1021/ol502676y","","","1.54184","CuKα","","0.0513","0.0476","","","0.1287","0.1328","","","","","","1.042","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518238","13.021","0.003","5.756","0.0012","13.563","0.003","90","","96.16","0.03","90","","1010.7","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 O2 -","- C11 H14 O2 -","- C44 H56 O8 -","4","1","","Wang, Yang; Ren, Wenlong; Li, Jingfu; Wang, Haining; Shi, Yian","Facile palladium-catalyzed hydrocarboxylation of olefins without external CO gas.","Organic letters","2014","16","22","5960","5963","10.1021/ol502987f","","","0.71073","MoKα","","0.0886","0.0554","","","0.1447","0.1705","","","","","","1.017","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518261","7.4367","0.0003","10.056","0.0005","20.4018","0.0009","90","","90","","90","","1525.72","0.12","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H16 Br N O2 -","- C18 H16 Br N O2 -","- C72 H64 Br4 N4 O8 -","4","1","","Dhanasekaran, Sivasankaran; Bisai, Vishnumaya; Unhale, Rajshekhar A.; Suneja, Arun; Singh, Vinod K.","A General Catalytic Route to Isoindolinones and Tetrahydroisoquinolines: Application in the Synthesis of (±)-Crispine A.","Organic letters","2014","16","23","6068","","10.1021/ol502842f","","","0.71073","MoKα","","0.0258","0.023","","","0.0552","0.0562","","","","","","1.021","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518262","8.086","0.0012","8.8985","0.0014","20.084","0.003","89.551","0.004","83.782","0.004","84.105","0.004","1429","0.4","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H37 N O4 S Si -","- C28 H37 N O4 S Si -","- C56 H74 N2 O8 S2 Si2 -","2","1","","Feng, Chao; Feng, Daming; Luo, Yang; Loh, Teck-Peng","Rhodium(III)-catalyzed olefinic C-H alkynylation of acrylamides using tosyl-imide as directing group.","Organic letters","2014","16","22","5956","5959","10.1021/ol502984g","","","0.71073","MoKα","","0.159","0.1233","","","0.3208","0.3446","","","","","","1.123","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518263","8.1372","0.0001","8.8688","0.0001","9.2448","0.0001","85.665","0.001","71.248","0.001","78.759","0.001","619.577","0.013","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 F3 O S -","- C14 H9 F3 O S -","- C28 H18 F6 O2 S2 -","2","1","","Kwiatkowski, Piotr; Cholewiak, Agnieszka; Kasztelan, Adrian","Efficient and highly enantioselective construction of trifluoromethylated quaternary stereogenic centers via high-pressure mediated organocatalytic conjugate addition of nitromethane to β,β-disubstituted enones.","Organic letters","2014","16","22","5930","5933","10.1021/ol502941d","","","0.71073","MoKα","","0.0368","0.0324","","","0.0887","0.0925","","","","","","1.058","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518264","9.6417","0.0002","10.208","0.0002","14.8652","0.0003","90","","90","","90","","1463.07","0.05","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 F3 N O3 S -","- C15 H12 F3 N O3 S -","- C60 H48 F12 N4 O12 S4 -","4","1","","Kwiatkowski, Piotr; Cholewiak, Agnieszka; Kasztelan, Adrian","Efficient and highly enantioselective construction of trifluoromethylated quaternary stereogenic centers via high-pressure mediated organocatalytic conjugate addition of nitromethane to β,β-disubstituted enones.","Organic letters","2014","16","22","5930","5933","10.1021/ol502941d","","","0.71073","MoKα","","0.04","0.0323","","","0.0706","0.0746","","","","","","1.041","","","","has coordinates,has disorder","301776","2025-08-18","14:47:52",""
"1518265","9.1017","0.0004","10.9849","0.0005","14.3201","0.0007","90","","90","","90","","1431.74","0.11","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 F3 N2 O3 S -","- C14 H11 F3 N2 O3 S -","- C56 H44 F12 N8 O12 S4 -","4","1","","Kwiatkowski, Piotr; Cholewiak, Agnieszka; Kasztelan, Adrian","Efficient and highly enantioselective construction of trifluoromethylated quaternary stereogenic centers via high-pressure mediated organocatalytic conjugate addition of nitromethane to β,β-disubstituted enones.","Organic letters","2014","16","22","5930","5933","10.1021/ol502941d","","","0.71073","MoKα","","0.0505","0.0358","","","0.0647","0.0695","","","","","","1.013","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518266","9.6275","0.0019","22.502","0.004","20.134","0.004","90","","103.262","0.005","90","","4245.5","1.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N2 O3 -","- C26 H22 N2 O3 -","- C208 H176 N16 O24 -","8","2","","Li, Deng Yuan; Chen, Hao Jie; Liu, Pei Nian","Rhodium-Catalyzed Oxidative Annulation of Hydrazines with Alkynes Using a Nitrobenzene Oxidant.","Organic letters","2014","16","23","6176","","10.1021/ol5030794","","","0.71073","MoKα","","0.2027","0.0703","","","0.139","0.1854","","","","","","0.923","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518267","13.4742","0.0012","9.3259","0.0008","14.3879","0.0012","90","","96.755","0.002","90","","1795.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 O -","- C22 H18 N2 O -","- C88 H72 N8 O4 -","4","1","","Li, Deng Yuan; Chen, Hao Jie; Liu, Pei Nian","Rhodium-Catalyzed Oxidative Annulation of Hydrazines with Alkynes Using a Nitrobenzene Oxidant.","Organic letters","2014","16","23","6176","","10.1021/ol5030794","","","0.71073","MoKα","","0.0594","0.0444","","","0.1124","0.1242","","","","","","1.024","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518268","12.729","0.003","8.6285","0.0017","17.199","0.003","90","","99.28","0.03","90","","1864.3","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Br2 N2 -","- C22 H16 Br2 N2 -","- C88 H64 Br8 N8 -","4","1","","Wen, Jia-Jie; Tang, Hai-Tao; Xiong, Kai; Ding, Zong-Cang; Zhan, Zhuang-Ping","Synthesis of polysubstituted pyrazoles by a platinum-catalyzed sigmatropic rearrangement/cyclization cascade.","Organic letters","2014","16","22","5940","5943","10.1021/ol502968c","","","0.71073","MoKα","","0.1172","0.0815","","","0.2054","0.2946","","","","","","1.091","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518269","9.584","0.003","4.1885","0.0011","11.089","0.003","90","","93.215","0.004","90","","444.4","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H6 Br N O -","- C9 H6 Br N O -","- C18 H12 Br2 N2 O2 -","2","1","","Chen, Wenwen; Wang, Bo; Liu, Nan; Huang, Dayun; Wang, Xinyan; Hu, Yuefei","Tandem Synthesis of 3-Halo-5-Substituted Isoxazoles from 1-Copper(I) Alkynes and Dihaloformaldoximes.","Organic letters","2014","16","23","6140","","10.1021/ol503008t","","","0.71073","MoKα","","0.1128","0.0474","","","0.09","0.1094","","","","","","0.939","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518270","13.3503","0.0015","26.402","0.003","11.0275","0.0012","90","","90","","90","","3886.9","0.8","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C17 H18 Br F3 N2 O5 -","- C17 H18 Br F3 N2 O5 -","- C136 H144 Br8 F24 N16 O40 -","8","2","","Li, Lei; Guo, Jing-Yao; Liu, Xing-Guo; Chen, Su; Wang, Yong; Tan, Bin; Liu, Xin-Yuan","Amide groups switch selectivity: C-H trifluoromethylation of α,β-unsaturated amides and subsequent asymmetric transformation.","Organic letters","2014","16","22","6032","6035","10.1021/ol503067g","","","0.71073","MoKα","","0.1517","0.0575","","","0.1552","0.1986","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518271","8.9671","0.0004","5.4454","0.0002","19.6033","0.0013","90","","96.926","0.007","90","","950.23","0.08","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 F3 N O3 -","- C8 H8 F3 N O3 -","- C32 H32 F12 N4 O12 -","4","1","","Li, Lei; Guo, Jing-Yao; Liu, Xing-Guo; Chen, Su; Wang, Yong; Tan, Bin; Liu, Xin-Yuan","Amide groups switch selectivity: C-H trifluoromethylation of α,β-unsaturated amides and subsequent asymmetric transformation.","Organic letters","2014","16","22","6032","6035","10.1021/ol503067g","","","1.54187","CuKα","","","0.0963","","","","0.2951","","","","","","1.397","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518272","8.531","0.002","11.497","0.003","20.128","0.006","85.723","0.007","89.4","0.009","85.923","0.008","1963.7","0.9","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H27 N O2 S -","- C22 H27 N O2 S -","- C88 H108 N4 O8 S4 -","4","2","","Cai, Pei-Jun; Wang, Yi; Liu, Cheng-Hang; Yu, Zhi-Xiang","Gold(I)-catalyzed polycyclization of linear dienediynes to seven-membered ring-containing polycycles via tandem cyclopropanation/Cope rearrangement/C-H activation.","Organic letters","2014","16","22","5898","5901","10.1021/ol5028706","","","0.71073","MoKα","","0.0767","0.047","","","0.0875","0.0971","","","","","","1.023","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518273","6.3758","0.0001","7.2968","0.0003","23.1833","0.0009","90","","90.148","0.005","90","","1078.55","0.06","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H31 N O5 S Si -","- C19 H31 N O5 S Si -","- C38 H62 N2 O10 S2 Si2 -","2","1","","Kern, Nicolas; Felten, Anne-Sophie; Weibel, Jean-Marc; Pale, Patrick; Blanc, Aurélien","Robust Synthesis of N-Sulfonylazetidine Building Blocks via Ring Contraction of α-Bromo N-Sulfonylpyrrolidinones.","Organic letters","2014","16","23","6104","","10.1021/ol5029496","","x-ray","0.71069","MoKα","","0.0602","0.0452","","","0.086","0.0926","","","","","","1.048","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518274","7.0702","0.0006","12.6435","0.0005","12.345","0.001","90","","95.852","0.003","90","","1097.79","0.14","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H28 Br N O4 S Si -","- C18 H28 Br N O4 S Si -","- C36 H56 Br2 N2 O8 S2 Si2 -","2","1","","Kern, Nicolas; Felten, Anne-Sophie; Weibel, Jean-Marc; Pale, Patrick; Blanc, Aurélien","Robust Synthesis of N-Sulfonylazetidine Building Blocks via Ring Contraction of α-Bromo N-Sulfonylpyrrolidinones.","Organic letters","2014","16","23","6104","","10.1021/ol5029496","","","0.71073","MoKα","","0.0791","0.045","","","0.0975","0.1248","","","","","","1.049","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518287","12.1929","0.0009","8.855","0.0007","22.6406","0.0017","90","","93.615","0.001","90","","2439.6","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 N O -","- C32 H27 N O -","- C128 H108 N4 O4 -","4","1","","Gangadhararao, G.; Uruvakilli, Anasuyamma; Swamy, K. C. Kumara","Brønsted Acid Mediated Alkenylation and Copper-Catalyzed Aerobic Oxidative Ring Expansion/Intramolecular Electrophilic Substitution of Indoles with Propargyl Alcohols: A Novel One-Pot Approach to Cyclopenta[c]quinolines.","Organic letters","2014","16","23","6060","","10.1021/ol502783j","","","0.71073","MoKα","","0.069","0.061","","","0.1373","0.1421","","","","","","1.172","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518288","11.424","0.0016","9.4223","0.001","21.475","0.003","90","","99.68","0.013","90","","2278.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H25 N O -","- C32 H25 N O -","- C128 H100 N4 O4 -","4","1","","Gangadhararao, G.; Uruvakilli, Anasuyamma; Swamy, K. C. Kumara","Brønsted Acid Mediated Alkenylation and Copper-Catalyzed Aerobic Oxidative Ring Expansion/Intramolecular Electrophilic Substitution of Indoles with Propargyl Alcohols: A Novel One-Pot Approach to Cyclopenta[c]quinolines.","Organic letters","2014","16","23","6060","","10.1021/ol502783j","","","0.71073","MoKα","","0.0651","0.0427","","","0.0973","0.1078","","","","","","1.015","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518289","14.348","0.0014","16.969","0.002","19.737","0.002","90","","90","","90","","4805.4","0.9","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H27 N -","- C32 H27 N -","- C256 H216 N8 -","8","1","","Gangadhararao, G.; Uruvakilli, Anasuyamma; Swamy, K. C. Kumara","Brønsted Acid Mediated Alkenylation and Copper-Catalyzed Aerobic Oxidative Ring Expansion/Intramolecular Electrophilic Substitution of Indoles with Propargyl Alcohols: A Novel One-Pot Approach to Cyclopenta[c]quinolines.","Organic letters","2014","16","23","6060","","10.1021/ol502783j","","","0.71073","MoKα","","0.1746","0.0619","","","0.0854","0.1162","","","","","","0.842","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518290","8.472","0.003","10.696","0.003","14.252","0.004","96.111","0.006","90.184","0.006","94.806","0.006","1279.5","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H27 N3 O5 -","- C29 H27 N3 O5 -","- C58 H54 N6 O10 -","2","1","","Wang, Bo; Lu, Chengxi; Zhang, Shu-Yu; He, Gang; Nack, William A.; Chen, Gong","Palladium-Catalyzed Stereoretentive Olefination of Unactivated C(sp(3))-H Bonds with Vinyl Iodides at Room Temperature: Synthesis of β-Vinyl α-Amino Acids.","Organic letters","2014","16","23","6260","","10.1021/ol503248f","","","0.71073","MoKα","","0.1123","0.0668","","","0.1823","0.2059","","","","","","1.094","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518291","15.44","0.005","21.826","0.007","13.714","0.004","90","","110.809","0.006","90","","4320","2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 N3 O4 -","- C26 H21 N3 O4 -","- C208 H168 N24 O32 -","8","1","","Wang, Bo; Lu, Chengxi; Zhang, Shu-Yu; He, Gang; Nack, William A.; Chen, Gong","Palladium-Catalyzed Stereoretentive Olefination of Unactivated C(sp(3))-H Bonds with Vinyl Iodides at Room Temperature: Synthesis of β-Vinyl α-Amino Acids.","Organic letters","2014","16","23","6260","","10.1021/ol503248f","","","0.71073","MoKα","","0.0903","0.0541","","","0.127","0.1421","","","","","","1.036","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518292","9.1715","0.0007","6.5653","0.0004","11.0048","0.0009","90","","92.975","0.001","90","","661.75","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C30 H48 O4 -","2","1","","Meng, Ling-Hong; Li, Xiao-Ming; Liu, Yang; Wang, Bin-Gui","Penicibilaenes A and B, Sesquiterpenes with a Tricyclo[6.3.1.0(1,5)]dodecane Skeleton from the Marine Isolate of Penicillium bilaiae MA-267.","Organic letters","2014","16","23","6052","","10.1021/ol503046u","","","1.54178","CuKα","","0.0354","0.0339","","","0.0864","0.0878","","","","","","1.044","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518293","6.9819","0.0007","7.4115","0.0006","15.405","0.0011","90","","93.279","0.006","90","","795.85","0.12","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H26 O3 -","- C17 H26 O3 -","- C34 H52 O6 -","2","1","","Meng, Ling-Hong; Li, Xiao-Ming; Liu, Yang; Wang, Bin-Gui","Penicibilaenes A and B, Sesquiterpenes with a Tricyclo[6.3.1.0(1,5)]dodecane Skeleton from the Marine Isolate of Penicillium bilaiae MA-267.","Organic letters","2014","16","23","6052","","10.1021/ol503046u","","","1.54178","CuKα","","0.1264","0.0683","","","0.1234","0.1538","","","","","","1.026","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518294","7.564","0.005","23.309","0.005","12.081","0.005","90","0.005","100.459","0.005","90","0.005","2094.6","1.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 N2 O4 -","- C22 H28 N2 O4 -","- C88 H112 N8 O16 -","4","1","","Dutta, Uttam; Maity, Soham; Kancherla, Rajesh; Maiti, Debabrata","Aerobic oxynitration of alkynes with (t)BuONO and TEMPO.","Organic letters","2014","16","24","6302","6305","10.1021/ol503025n","","","1.5418","CuKα","","0.078","0.0588","","","0.2098","0.2575","","","","","","1.177","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518295","21.841","0.004","13.887","0.003","11.976","0.002","90","","93.43","0.03","90","","3625.9","1.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H23 N3 O3 -","- C18 H23 N3 O3 -","- C144 H184 N24 O24 -","8","1","","Dutta, Uttam; Maity, Soham; Kancherla, Rajesh; Maiti, Debabrata","Aerobic oxynitration of alkynes with (t)BuONO and TEMPO.","Organic letters","2014","16","24","6302","6305","10.1021/ol503025n","","","0.71073","MoKα","","0.0634","0.0456","","","0.1208","0.1331","","","","","","1.052","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518296","9.2055","0.0004","13.5568","0.0005","23.141","0.0008","90","","90","","90","","2887.93","0.19","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H38 Cl N3 O4 Si -","- C24 H38 Cl N3 O4 Si -","- C96 H152 Cl4 N12 O16 Si4 -","4","1","","Liu, Bin; Liu, Tong-Yu; Luo, Shi-Wei; Gong, Liu-Zhu","Asymmetric Hetero-Diels-Alder Reaction of Diazenes Catalyzed by Chiral Silver Phosphate: Water Participates in the Catalysis and Stereocontrol.","Organic letters","2014","16","23","6164","","10.1021/ol503047s","","","1.54184","CuKα","","0.134","0.1116","","","0.232","0.2464","","","","","","1.097","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518297","6.3291","0.0005","11.9237","0.0012","12.5356","0.0015","64.953","0.011","82.314","0.008","87.201","0.007","849.32","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 B F2 N3 -","- C21 H14 B F2 N3 -","- C42 H28 B2 F4 N6 -","2","1","","Luo, Liang; Wu, Di; Li, Wei; Zhang, Shuai; Ma, Yuanhong; Yan, Su; You, Jingsong","Regioselective Decarboxylative Direct C-H Arylation of Boron Dipyrromethenes (BODIPYs) at 2,6-Positions: A Facile Access to a Diversity-Oriented BODIPY Library.","Organic letters","2014","16","23","6080","","10.1021/ol502883x","","x-ray","1.54184","CuKα","","0.0933","0.0602","","","0.1456","0.1716","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518298","10.1332","0.0013","10.6774","0.0013","13.4051","0.0013","113.01","0.01","92.431","0.009","102.849","0.01","1288","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H18 B F7 N2 O2 -","- C29 H18 B F7 N2 O2 -","- C58 H36 B2 F14 N4 O4 -","2","1","","Luo, Liang; Wu, Di; Li, Wei; Zhang, Shuai; Ma, Yuanhong; Yan, Su; You, Jingsong","Regioselective Decarboxylative Direct C-H Arylation of Boron Dipyrromethenes (BODIPYs) at 2,6-Positions: A Facile Access to a Diversity-Oriented BODIPY Library.","Organic letters","2014","16","23","6080","","10.1021/ol502883x","","x-ray","0.71","MoKα","","0.1408","0.0703","","","0.1546","0.2029","","","","","","0.983","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518299","9.7368","0.0011","10.0377","0.0011","10.8538","0.0012","90","","98.496","0.0013","90","","1049.2","0.2","90","","90","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H28 O8 -","- C22 H28 O8 -","- C44 H56 O16 -","2","1","","Yun, Young Sook; Fukaya, Haruhiko; Nakane, Takahisa; Takano, Akihito; Takahashi, Shigeru; Takahashi, Yuji; Inoue, Hideshi","A New Bis-seco-abietane Diterpenoid from Hyptis crenata Pohl ex Benth.","Organic letters","2014","16","23","6188","","10.1021/ol503086n","","","0.71073","MoKα","","0.034","0.0313","","","0.0708","0.0726","","","","","","1.047","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518300","12.8499","0.0007","10.5117","0.0006","12.0432","0.0006","90","","109.182","0.001","90","","1536.41","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O2 S -","- C18 H17 N O2 S -","- C72 H68 N4 O8 S4 -","4","1","","Chang, Meng-Yang; Cheng, Yu-Chieh; Lu, Yi-Ju","One-Pot Access to Sulfonylmethyl Arylpyrroles via the Domino Aerobic Wacker-Type Aminocyclization/1,4-Sulfonyl Migration.","Organic letters","2014","16","23","6252","","10.1021/ol5032238","","","0.71073","MoKα","","0.0372","0.032","","","0.0786","0.082","","","","","","1.023","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518301","8.85","0.002","9.016","0.002","10.514","0.003","111.443","0.011","92.219","0.013","94.247","0.012","776.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 F N O2 S -","- C18 H16 F N O2 S -","- C36 H32 F2 N2 O4 S2 -","2","1","","Chang, Meng-Yang; Cheng, Yu-Chieh; Lu, Yi-Ju","One-Pot Access to Sulfonylmethyl Arylpyrroles via the Domino Aerobic Wacker-Type Aminocyclization/1,4-Sulfonyl Migration.","Organic letters","2014","16","23","6252","","10.1021/ol5032238","","","0.71073","MoKα","","0.0515","0.04","","","0.1208","0.1505","","","","","","1.201","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518302","8.617","0.004","9.533","0.005","11.024","0.005","82.313","0.01","85.656","0.011","79.88","0.01","882.2","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H16 F3 N O2 S -","- C19 H16 F3 N O2 S -","- C38 H32 F6 N2 O4 S2 -","2","1","","Chang, Meng-Yang; Cheng, Yu-Chieh; Lu, Yi-Ju","One-Pot Access to Sulfonylmethyl Arylpyrroles via the Domino Aerobic Wacker-Type Aminocyclization/1,4-Sulfonyl Migration.","Organic letters","2014","16","23","6252","","10.1021/ol5032238","","","0.71073","MoKα","","0.0483","0.0377","","","0.0934","0.1019","","","","","","1.016","","","","has coordinates,has disorder","301776","2025-08-18","14:47:52",""
"1518303","5.3773","0.0013","25.658","0.007","14.111","0.004","90","","90","","90","","1946.9","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 Br N2 O2 -","- C23 H17 Br N2 O2 -","- C92 H68 Br4 N8 O8 -","4","1","","Fan, Yan-Sen; Jiang, Yi-Jun; An, Dong; Sha, Di; Antilla, Jon C.; Zhang, Suoqin","H8-BINOL Chiral Imidodiphosphoric Acids Catalyzed Enantioselective Synthesis of Dihydroindolo-/-pyrrolo[1,2-a]quinoxalines.","Organic letters","2014","16","23","6112","","10.1021/ol502965p","","","0.71073","MoKα","","0.0948","0.0616","","","0.1424","0.161","","","","","","0.974","","","","has coordinates,has disorder","301776","2025-08-18","14:47:52",""
"1518304","13.8842","0.0006","5.6862","0.0002","14.2638","0.0006","90","","108.43","0.001","90","","1068.35","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H21 Cl N2 O2 -","- C26 H21 Cl N2 O2 -","- C52 H42 Cl2 N4 O4 -","2","1","","Fan, Yan-Sen; Jiang, Yi-Jun; An, Dong; Sha, Di; Antilla, Jon C.; Zhang, Suoqin","H8-BINOL Chiral Imidodiphosphoric Acids Catalyzed Enantioselective Synthesis of Dihydroindolo-/-pyrrolo[1,2-a]quinoxalines.","Organic letters","2014","16","23","6112","","10.1021/ol502965p","","","0.71073","MoKα","","0.0832","0.0475","","","0.0963","0.1138","","","","","","1.017","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518305","6.6247","0.0004","4.8406","0.0003","17.9155","0.001","90","","90.42","0.002","90","","574.49","0.06","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 N2 O2 S -","- C12 H14 N2 O2 S -","- C24 H28 N4 O4 S2 -","2","1","","Baumann, Marcus; Baxendale, Ian R.","Sustainable Synthesis of Thioimidazoles via Carbohydrate-Based Multicomponent Reactions.","Organic letters","2014","16","23","6076","","10.1021/ol502845h","","x-ray","0.71073","MoKα","","0.0354","0.0325","","","0.0776","0.0794","","","","","","1.063","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518306","7.86783","0.00013","16.1933","0.0003","18.4016","0.0003","90","","90","","90","","2344.48","0.07","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cl2 N2 O7 S -","- C20 H22 Cl2 N2 O7 S -","- C80 H88 Cl8 N8 O28 S4 -","4","1","","Baumann, Marcus; Baxendale, Ian R.","Sustainable Synthesis of Thioimidazoles via Carbohydrate-Based Multicomponent Reactions.","Organic letters","2014","16","23","6076","","10.1021/ol502845h","","","0.71073","MoKα","","0.0361","0.0332","","","0.0791","0.0809","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518307","17.667","0.002","16.0607","0.0019","19.997","0.003","90","","99.748","0.002","90","","5592.1","1.2","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 O -","- C38 H26 O -","- C304 H208 O8 -","8","2","","Gu, Songlin; Luo, Lei; Liu, Jingjing; Bai, Lu; Zheng, Huayu; Wang, Yaoyu; Luan, Xinjun","Palladium(II)-Catalyzed Oxidative Dearomatization of Free Naphthols with Two Alkyne Units.","Organic letters","2014","16","23","6132","","10.1021/ol502997d","","","0.71073","MoKα","","0.1246","0.055","","","0.1149","0.1479","","","","","","1.026","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518384","6.4762","0.0002","8.5838","0.0003","13.2261","0.0004","101.32","0.003","91.514","0.003","96.308","0.003","715.71","0.04","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Br N O -","- C16 H14 Br N O -","- C32 H28 Br2 N2 O2 -","2","1","","Chen, Ming; Peng, Jiangling; Mao, Tingting; Huang, Jinbo","Cu/Fe-cocatalyzed Meyer-Schuster-like rearrangement of propargylic amines: direct access to E-β-aminoacryaldehydes.","Organic letters","2014","16","24","6286","6289","10.1021/ol5029805","","","1.5418","CuKα","","0.035","0.0324","","","0.0864","0.089","","","","","","1.098","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518385","7.695","0.0002","20.3926","0.0004","9.0759","0.0002","90","","103.862","0.002","90","","1382.72","0.06","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C33 H42 O6 -","- C33 H42 O6 -","- C66 H84 O12 -","2","1","","Tian, Wen-Jing; Qiu, Yu-Qin; Yao, Xiao-Jun; Chen, Hai-Feng; Dai, Yi; Zhang, Xiao-Kun; Yao, Xin-Sheng","Dioxasampsones A and B, two polycyclic polyprenylated acylphloroglucinols with unusual epoxy-ring-fused skeleton from Hypericum sampsonii.","Organic letters","2014","16","24","6346","6349","10.1021/ol503122m","","","1.54178","CuKα","","0.0319","0.0306","","","0.0898","0.0928","","","","","","0.797","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518386","10.4239","0.0002","8.4186","0.0002","14.8476","0.0003","90","","102.195","0.002","90","","1273.54","0.05","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","vernavosine","","","- C24 H33 I N2 O5 -","- C24 H33 I N2 O5 -","- C48 H66 I2 N4 O10 -","2","1","","Nge, Choy-Eng; Gan, Chew-Yan; Lim, Kuan-Hon; Ting, Kang-Nee; Low, Yun-Yee; Kam, Toh-Seok","Criofolinine and vernavosine, new pentacyclic indole alkaloids incorporating pyrroloazepine and pyridopyrimidine moieties derived from a common yohimbine precursor.","Organic letters","2014","16","24","6330","6333","10.1021/ol503072g","","","0.71073","MoKα","","0.0502","0.0382","","","0.0876","0.1011","","","","","","1.075","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518387","10.7249","0.0005","12.1181","0.0006","29.204","0.0013","90","","90","","90","","3795.5","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","criofolinine","","","- C21 H22 N2 O6 -","- C21 H22 N2 O6 -","- C168 H176 N16 O48 -","8","2","","Nge, Choy-Eng; Gan, Chew-Yan; Lim, Kuan-Hon; Ting, Kang-Nee; Low, Yun-Yee; Kam, Toh-Seok","Criofolinine and vernavosine, new pentacyclic indole alkaloids incorporating pyrroloazepine and pyridopyrimidine moieties derived from a common yohimbine precursor.","Organic letters","2014","16","24","6330","6333","10.1021/ol503072g","","","0.71073","MoKα","","0.0775","0.0492","","","0.1225","0.144","","","","","","0.88","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518388","10.142","0.002","10.495","0.002","36.579","0.008","90","","90","","90","","3893.5","1.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O4 -","- C21 H30 O4 -","- C168 H240 O32 -","8","2","","Luo, Shi-Hong; Hugelshofer, Cedric L.; Hua, Juan; Jing, Shu-Xi; Li, Chun-Huan; Liu, Yan; Li, Xiao-Nian; Zhao, Xu; Magauer, Thomas; Li, Sheng-Hong","Unraveling the metabolic pathway in Leucosceptrum canum by isolation of new defensive leucosceptroid degradation products and biomimetic model synthesis.","Organic letters","2014","16","24","6416","6419","10.1021/ol503230s","","","0.71073","MoKα","","0.1577","0.0657","","","0.1122","0.1487","","","","","","0.981","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518389","9.7874","0.0005","11.8977","0.0006","22.0108","0.0011","101.686","0.004","91.082","0.004","107.507","0.005","2385","0.2","298","","298","","","","","","","","","5","P -1","-P 1","2","","(E,E)-2,6-Bis{2-[4-(N,N-diphenylamino)phenyl]ethenyl}benzo[1,2-d:4,5-d'] bisthiazole","","- C50 H36 Cl6 N4 S2 -","- C50 H36 Cl6 N4 S2 -","- C100 H72 Cl12 N8 S4 -","2","1","","Hrobárik, Peter; Hrobáriková, Veronika; Semak, Vladislav; Kasák, Peter; Rakovský, Erik; Polyzos, Ioannis; Fakis, Mihalis; Persephonis, Peter","Quadrupolar benzobisthiazole-cored arylamines as highly efficient two-photon absorbing fluorophores.","Organic letters","2014","16","24","6358","6361","10.1021/ol503137p","","x-ray","0.71073","MoKα","","0.1151","0.0938","","","0.2475","0.2687","","","","","","1.038","","","","has coordinates,has disorder","301776","2025-08-18","14:47:52",""
"1518390","6.47","0.0012","7.714","0.003","9.5819","0.0017","94.92","0.02","98.689","0.015","110.41","0.02","438.1","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H12 O -","- C10 H12 O -","- C20 H24 O2 -","2","1","","Zhao, Liang; Wang, Jinlian; Zheng, Hongyan; Li, Yun; Yang, Ke; Cheng, Bin; Jin, Xiaojie; Yao, Xiaojun; Zhai, Hongbin","Silver(I)-catalyzed ring-contractive rearrangement: a new entry to 5-alkylidene-2-cyclopentenones.","Organic letters","2014","16","24","6378","6381","10.1021/ol503176y","","","0.71","MoKα","","0.0811","0.0587","","","0.1661","0.1863","","","","","","1.081","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518391","8.3452","0.0004","9.2128","0.0003","11.793","0.0005","90","","93.354","0.004","90","","905.12","0.07","193.24","0.1","193.24","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 O -","- C12 H10 O -","- C48 H40 O4 -","4","1","","Zhao, Liang; Wang, Jinlian; Zheng, Hongyan; Li, Yun; Yang, Ke; Cheng, Bin; Jin, Xiaojie; Yao, Xiaojun; Zhai, Hongbin","Silver(I)-catalyzed ring-contractive rearrangement: a new entry to 5-alkylidene-2-cyclopentenones.","Organic letters","2014","16","24","6378","6381","10.1021/ol503176y","","","0.7107","MoKα","","0.0694","0.0467","","","0.0956","0.1131","","","","","","1.066","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518392","7.4179","0.0004","13.632","0.0007","19.6368","0.001","93.074","0.002","95.716","0.002","95.691","0.002","1962.03","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 Br2 N3 O4 -","- C20 H17 Br2 N3 O4 -","- C80 H68 Br8 N12 O16 -","4","2","","Ye, Qun; Neo, Wei Teng; Cho, Ching Mui; Yang, Shuo Wang; Lin, Tingting; Zhou, Hui; Yan, Hong; Lu, Xuehong; Chi, Chunyan; Xu, Jianwei","Synthesis of ultrahighly electron-deficient pyrrolo[3,4-d]pyridazine-5,7-dione by inverse electron demand Diels-Alder reaction and its application as electrochromic materials.","Organic letters","2014","16","24","6386","6389","10.1021/ol503178m","","","0.71073","MoKα","","0.0429","0.0321","","","0.0788","0.0838","","","","","","1.04","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518393","8.1594","0.0005","9.3272","0.0006","14.0726","0.0009","78.521","0.002","89.373","0.002","81.245","0.002","1037.13","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 Br2 N3 O2 S2 -","- C20 H17 Br2 N3 O2 S2 -","- C40 H34 Br4 N6 O4 S4 -","2","1","","Ye, Qun; Neo, Wei Teng; Cho, Ching Mui; Yang, Shuo Wang; Lin, Tingting; Zhou, Hui; Yan, Hong; Lu, Xuehong; Chi, Chunyan; Xu, Jianwei","Synthesis of ultrahighly electron-deficient pyrrolo[3,4-d]pyridazine-5,7-dione by inverse electron demand Diels-Alder reaction and its application as electrochromic materials.","Organic letters","2014","16","24","6386","6389","10.1021/ol503178m","","","0.71073","MoKα","","0.0436","0.032","","","0.0797","0.0853","","","","","","1.031","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518394","11.7131","0.0004","13.2133","0.0004","38.0111","0.0012","90","","90","","90","","5882.9","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34.5 H43 O5.5 -","- C34.5 H43 O5.5 -","- C276 H344 O44 -","8","2","","Zhu, Hucheng; Chen, Chunmei; Yang, Jing; Li, Xiao-Nian; Liu, Junjun; Sun, Bin; Huang, Sheng-Xiong; Li, Dongyan; Yao, Guangmin; Luo, Zengwei; Li, Yan; Zhang, Jinwen; Xue, Yongbo; Zhang, Yonghui","Bioactive acylphloroglucinols with adamantyl skeleton from Hypericum sampsonii.","Organic letters","2014","16","24","6322","6325","10.1021/ol5030579","","","1.54178","CuKα","","0.0774","0.0587","","","0.1513","0.2009","","","","","","1.157","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518395","11.1559","0.0002","10.7765","0.0002","11.6429","0.0002","90","","96.22","","90","","1391.49","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C33 H40 O5 -","- C33 H40 O5 -","- C66 H80 O10 -","2","1","","Zhu, Hucheng; Chen, Chunmei; Yang, Jing; Li, Xiao-Nian; Liu, Junjun; Sun, Bin; Huang, Sheng-Xiong; Li, Dongyan; Yao, Guangmin; Luo, Zengwei; Li, Yan; Zhang, Jinwen; Xue, Yongbo; Zhang, Yonghui","Bioactive acylphloroglucinols with adamantyl skeleton from Hypericum sampsonii.","Organic letters","2014","16","24","6322","6325","10.1021/ol5030579","","","1.54178","CuKα","","0.0276","0.0276","","","0.0723","0.0723","","","","","","1.079","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518396","31.188","0.009","10.623","0.003","28.223","0.008","90","","100.167","0.003","90","","9204","5","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","trans-3a","racemic 4'-ethyl 5'-methyl(3R,4'S,5'S)-1-acetyl-5-fluoro-2'-(4-methyoxyphenyl)- 2-oxo-4'5'-dihydrospiro[indoline-3,3'-pyrrole]-4'5'-dicarboxylate","","- C25 H23 F N2 O7 -","- C25 H23 F N2 O7 -","- C400 H368 F16 N32 O112 -","16","2","","Badillo, Joseph J.; Ribeiro, Carlos J. A.; Olmstead, Marilyn M.; Franz, Annaliese K.","Titanium(IV)-catalyzed stereoselective synthesis of spirooxindole-1-pyrrolines.","Organic letters","2014","16","24","6270","6273","10.1021/ol5028128","","","0.71073","MoKα","","0.0533","0.0413","","","0.106","0.1114","","","","","","1.058","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518397","8.7859","0.0002","12.7763","0.0004","13.096","0.0003","81.6796","0.0009","76.9516","0.0008","86.6732","0.0008","1416.52","0.06","90","2","90","2","","","","","","","","5","P -1","-P 1","2","cis-3a toluene solvate","racemic 4'-ethyl 5'-methyl(3R,4'S,5'R)-1-acetyl-5-fluoro-2'-(4-methyoxyphenyl)-2-oxo- 4',5'-dihydrospiro[indoline-3,3'-pyrrole]-4',5'-dicarboxylate","","- C32 H31 F N2 O7 -","- C32 H31 F N2 O7 -","- C64 H62 F2 N4 O14 -","2","1","","Badillo, Joseph J.; Ribeiro, Carlos J. A.; Olmstead, Marilyn M.; Franz, Annaliese K.","Titanium(IV)-catalyzed stereoselective synthesis of spirooxindole-1-pyrrolines.","Organic letters","2014","16","24","6270","6273","10.1021/ol5028128","","","1.54178","CuKα","","0.0472","0.0463","","","0.1218","0.1227","","","","","","1.02","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518398","17.736","0.003","12.166","0.002","17.785","0.004","90","","91.25","0.003","90","","3836.7","1.3","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","coumarin 10","racemic dimethyl(1S,3aR,9bS)-3-(4-methyoyphenyl)-4-oxo-1,9b-dihydro- chromeno[3,4-c]pyrrole-1,3a(4H)-dicarboxylate","","- C22 H19 N O7 -","- C22 H19 N O7 -","- C176 H152 N8 O56 -","8","2","","Badillo, Joseph J.; Ribeiro, Carlos J. A.; Olmstead, Marilyn M.; Franz, Annaliese K.","Titanium(IV)-catalyzed stereoselective synthesis of spirooxindole-1-pyrrolines.","Organic letters","2014","16","24","6270","6273","10.1021/ol5028128","","","0.71073","MoKα","","0.0937","0.0573","","","0.1288","0.146","","","","","","1.022","","","","has coordinates,has disorder","301776","2025-08-18","14:47:52",""
"1518399","10.77","0.002","14.24","0.003","11.19","0.002","90","","91","0.03","90","","1715.9","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H24 N2 O3 -","- C17 H24 N2 O3 -","- C68 H96 N8 O12 -","4","2","","Yan, Hong; Rong, Guangwei; Liu, Defu; Zheng, Yang; Chen, Jie; Mao, Jincheng","Stereoselective intermolecular nitroaminoxylation of terminal aromatic alkynes: trapping alkenyl radicals by TEMPO.","Organic letters","2014","16","24","6306","6309","10.1021/ol5030585","","","0.71073","MoKα","","0.0982","0.061","","","0.126","0.144","","","","","","1.049","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518400","25.952","0.002","10.0751","0.0008","17.5758","0.0013","90","","94.228","0.002","90","","4583","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H23 N O2 S -","- C29 H23 N O2 S -","- C232 H184 N8 O16 S8 -","8","1","","Yang, Qin; Xu, Tongyu; Yu, Zhengkun","Iron-mediated carboarylation/cyclization of propargylanilines with acetals: a concise route to indeno[2,1-c]quinolines.","Organic letters","2014","16","24","6310","6313","10.1021/ol503039j","","","0.71073","MoKα","","0.0558","0.0445","","","0.1189","0.1282","","","","","","1.04","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518401","9.9351","0.0015","10.2398","0.0015","15.259","0.002","90","","95.033","0.003","90","","1546.4","0.4","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cl N -","- C22 H14 Cl N -","- C88 H56 Cl4 N4 -","4","1","","Yang, Qin; Xu, Tongyu; Yu, Zhengkun","Iron-mediated carboarylation/cyclization of propargylanilines with acetals: a concise route to indeno[2,1-c]quinolines.","Organic letters","2014","16","24","6310","6313","10.1021/ol503039j","","","0.71073","MoKα","","0.0614","0.0457","","","0.1206","0.1318","","","","","","1.038","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518402","9.869","0.002","15.185","0.003","17.773","0.004","90","","90","","90","","2663.5","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 N O3 S -","- C31 H29 N O3 S -","- C124 H116 N4 O12 S4 -","4","1","","Yang, Qin; Xu, Tongyu; Yu, Zhengkun","Iron-mediated carboarylation/cyclization of propargylanilines with acetals: a concise route to indeno[2,1-c]quinolines.","Organic letters","2014","16","24","6310","6313","10.1021/ol503039j","","","0.71073","MoKα","","0.0957","0.054","","","0.1183","0.1384","","","","","","0.978","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518404","16.8144","0.0015","9.3105","0.0008","9.4113","0.0007","90","","98.4","0.007","90","","1457.5","0.2","100","0.18","100","0.18","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N3 O2 -","- C15 H21 N3 O2 -","- C60 H84 N12 O8 -","4","1","","Chi, Yue; Zhang, Wen-Xiong; Xi, Zhenfeng","Oxidant-switchable selective synthesis of 2-aminobenzimidazoles via C-H amination/acetoxylation of guanidines.","Organic letters","2014","16","24","6274","6277","10.1021/ol502815p","","","0.7107","MoKα","","0.0916","0.0556","","","0.1259","0.1418","","","","","","1.055","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518405","10.0498","0.0005","13.3126","0.0007","16.9593","0.001","88.988","0.005","75.801","0.005","78.453","0.005","2153.9","0.2","180","0.1","180","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H32 N3 O0.5 -","- C24 H32 N3 O0.5 -","- C96 H128 N12 O2 -","4","2","","Chi, Yue; Zhang, Wen-Xiong; Xi, Zhenfeng","Oxidant-switchable selective synthesis of 2-aminobenzimidazoles via C-H amination/acetoxylation of guanidines.","Organic letters","2014","16","24","6274","6277","10.1021/ol502815p","","","0.7107","MoKα","","0.0948","0.0565","","","0.1244","0.1466","","","","","","1.072","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518417","18.8295","0.0009","7.8451","0.0004","11.4443","0.0005","90","","95.208","0.002","90","","1683.57","0.14","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H23 Br O5 -","- C17 H22.5 Br O5 -","- C68 H90 Br4 O20 -","4","1","","Shockley, Samantha E.; Holder, Jeffrey C.; Stoltz, Brian M.","A catalytic, enantioselective formal synthesis of (+)-dichroanone and (+)-taiwaniaquinone H.","Organic letters","2014","16","24","6362","6365","10.1021/ol5031537","","","0.71073","MoKα","","0.0344","0.0256","","","0.0521","0.0538","","","","","","0.966","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518418","9.834","0.0006","19.1669","0.0011","12.3417","0.0007","90","","106.885","0.001","90","","2226","0.2","99","2","99","2","","","","","","","","7","P 1 21 1","P 2yb","4","[Fe(CNPh)(1a)]BF4)2","","","- C48 H44 B2 F8 Fe N4 P2 -","- C48 H44 B2 F8 Fe N4 P2 -","- C96 H88 B4 F16 Fe2 N8 P4 -","2","1","","Bigler, Raphael; Mezzetti, Antonio","Isonitrile iron(II) complexes with chiral N2P2 macrocycles in the enantioselective transfer hydrogenation of ketones.","Organic letters","2014","16","24","6460","6463","10.1021/ol503295c","","","0.71073","MoKα","","0.0333","0.029","","","0.0708","0.073","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518419","17.688","0.0016","10.0067","0.0007","21.9732","0.0018","90","","100.303","0.008","90","","3826.5","0.5","296","1","296","1","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C25 H22 N2 O -","- C25 H22 N2 O -","- C200 H176 N16 O8 -","8","1","","Yang, Xiu-Long; Chen, Fei; Zhou, Neng-Neng; Yu, Wei; Han, Bing","Synthesis of isoxazoline-functionalized phenanthridines via iminoxyl radical-participated cascade sequence.","Organic letters","2014","16","24","6476","6479","10.1021/ol503335k","","","0.71073","MoKα","","0.1035","0.0712","","","0.1743","0.2006","","","","","","1.038","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518420","9.0756","0.0008","9.0756","0.0008","15.824","0.0014","90","","90","","90","","1303.4","0.2","296","2","296","2","","","","","","","","4","P 41","P 4w","76","","","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","","Ran, Rui-Qiao; Xiu, Shi-Dong; Li, Chuan-Ying","Synthesis of N-acylamidines via rhodium-catalyzed reaction of nitrosobenzene derivatives with N-sulfonyl-1,2,3-triazoles.","Organic letters","2014","16","24","6394","6396","10.1021/ol5031876","","","0.71073","MoKα","","0.1126","0.0871","","","0.208","0.2281","","","","","","1","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518423","14.3298","0.0013","15.1659","0.0017","17.3878","0.0016","100.804","0.001","113.243","0.002","106.844","0.001","3121.3","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C59 H17 F25 N6 -","- C59 H17 F25 N6 -","- C118 H34 F50 N12 -","2","1","","Zhang, Kai; Wei, Pingchun; Li, Xin; Ågren, Hans; Xie, Yongshu","Oxidative ring closure and metal triggered ring opening: syntheses of macrocyclic and linear hexapyrroles.","Organic letters","2014","16","24","6354","6357","10.1021/ol503132r","","","0.71073","MoKα","","0.14","0.0788","","","0.2058","0.2439","","","","","","0.92","","","","has coordinates,has disorder","301776","2025-08-18","14:47:52",""
"1518424","15.04","0.0013","15.1401","0.0014","16.0989","0.0015","98.35","0.002","97.875","0.002","118.146","0.003","3108.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H19 Cu F25 N6 O2 -","- C61 H19 Cu F25 N6 O2 -","- C122 H38 Cu2 F50 N12 O4 -","2","1","","Zhang, Kai; Wei, Pingchun; Li, Xin; Ågren, Hans; Xie, Yongshu","Oxidative ring closure and metal triggered ring opening: syntheses of macrocyclic and linear hexapyrroles.","Organic letters","2014","16","24","6354","6357","10.1021/ol503132r","","","1.54178","CuKα","","0.2337","0.1094","","","0.2378","0.2737","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518425","12.2942","0.0011","15.4624","0.0015","27.665","0.002","90","","90","","90","","5259.1","0.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C59 H12 F25 Fe N6 O2 -","- C59 H12 F25 Fe N6 O2 -","- C236 H48 F100 Fe4 N24 O8 -","4","1","","Zhang, Kai; Wei, Pingchun; Li, Xin; Ågren, Hans; Xie, Yongshu","Oxidative ring closure and metal triggered ring opening: syntheses of macrocyclic and linear hexapyrroles.","Organic letters","2014","16","24","6354","6357","10.1021/ol503132r","","","0.71073","MoKα","","0.226","0.0873","","","0.1959","0.2841","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518426","8.5692","0.0004","21.534","0.0011","7.9705","0.0004","90","","90","","90","","1470.79","0.13","90","","90.15","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C19 H16 O5 -","- C19 H16 O5 -","- C76 H64 O20 -","4","1","","Centko, Ryan M.; Steinø, Anne; Rosell, Federico I.; Patrick, Brian O.; de Voogd, Nicole; Mauk, A. Grant; Andersen, Raymond J.","Indoleamine 2,3-dioxygenase inhibitors isolated from the sponge Xestospongia vansoesti: structure elucidation, analogue synthesis, and biological activity.","Organic letters","2014","16","24","6480","6483","10.1021/ol503337f","","x-ray","1.54178","CuKα","","0.0521","0.0475","","","0.1161","0.1188","","","","","","1.083","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518429","11.2483","0.0013","12.9991","0.0015","18.089","0.002","99.988","0.002","99.239","0.002","102.072","0.002","2493.5","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H25 N O2 S2 -","- C29 H25 N O2 S2 -","- C116 H100 N4 O8 S8 -","4","2","","Han, Dandan; Li, Zhiming; Fan, Renhua","Oxidative nucleophilic cyclization of 2-alkynylanilines with thiophenols under metal-free conditions.","Organic letters","2014","16","24","6508","6511","10.1021/ol5034139","","","0.71073","MoKα","","0.0691","0.048","","","0.1486","0.1778","","","","","","1.026","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518430","16.33","0.013","15.14","0.013","17.416","0.015","90","","90","","90","","4306","6","300","2","300","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C27 H24 O3 -","- C27 H24 O3 -","- C216 H192 O24 -","8","1","","Seetha Lakshmi, K. C.; Krishnan, Jagadeesh; Sinu, C. R.; Varughese, Sunil; Nair, Vijay","N-heterocyclic carbene catalyzed annulation of enals to aurone analogs: synthesis of cyclopentene-fused spirobenzofuran-3-ones.","Organic letters","2014","16","24","6374","6377","10.1021/ol5031684","","","0.71073","MoKα","","0.1136","0.0666","","","0.1669","0.1994","","","","","","0.996","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518431","5.848","0.003","12.3","0.006","25.729","0.013","90","","91.785","0.008","90","","1849.8","1.6","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 F N O4 -","- C21 H22 F N O4 -","- C84 H88 F4 N4 O16 -","4","1","","Reddy, B. V. Subba; Swathi, V.; Swain, Manisha; Bhadra, Manika Pal; Sridhar, B.; Satyanarayana, D.; Jagadeesh, B.","Stereoselective synthesis of spiro[tetrahydropyran-3,3'-oxindole] derivatives employing Prins cascade strategy.","Organic letters","2014","16","24","6267","6269","10.1021/ol503089m","","","0.71073","MoKα","","0.103","0.0691","","","0.1448","0.159","","","","","","1.104","","","","has coordinates","301776","2025-08-18","14:47:52",""
"1518689","17.2259","0.0003","19.4533","0.0004","25.7366","0.0005","90","","103.161","0.001","90","","8397.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","RH2927-2","5-Acetyl-5,6-dihydro-6-hydroxydibenzo[c,e][1,2]azaborine, dehydrated dimer","","- C32 H30 B2 N2 O5 -","- C32 H30 B2 N2 O5 -","- C384 H360 B24 N24 O60 -","12","3","","Sumida, Yuto; Harada, Ryu; Kato-Sumida, Tomoe; Johmoto, Kohei; Uekusa, Hidehiro; Hosoya, Takamitsu","Boron-Selective Biaryl Coupling Approach to Versatile Dibenzoxaborins and Application to Concise Synthesis of Defucogilvocarcin M.","Organic letters","2014","16","23","6240","","10.1021/ol5031734","","x-ray","1.54186","CuKα","","0.0532","0.0445","","","0.1143","0.1211","","","","","","1.079","","","","has coordinates,has disorder","301776","2025-08-18","14:47:53",""
"1518690","5.1612","0.0001","15.5151","0.0003","15.9033","0.0003","90","","91.214","0.001","90","","1273.2","0.04","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RH2Y15-1","8,9-Dioxa-8a-borabenzo[fg]tetracene","","- C18 H11 B O2 -","- C18 H11 B O2 -","- C72 H44 B4 O8 -","4","1","","Sumida, Yuto; Harada, Ryu; Kato-Sumida, Tomoe; Johmoto, Kohei; Uekusa, Hidehiro; Hosoya, Takamitsu","Boron-Selective Biaryl Coupling Approach to Versatile Dibenzoxaborins and Application to Concise Synthesis of Defucogilvocarcin M.","Organic letters","2014","16","23","6240","","10.1021/ol5031734","","x-ray","1.54186","CuKα","","0.054","0.0438","","","0.1218","0.1385","","","","","","1.081","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518691","8.6968","0.0002","10.9553","0.0004","15.8049","0.0005","72.6652","0.0019","85.8533","0.0018","80.1743","0.0019","1415.98","0.08","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 N3 O3 S -","- C31 H27 N3 O3 S -","- C62 H54 N6 O6 S2 -","2","1","","Chen, Hui; Kaga, Atsushi; Chiba, Shunsuke","Diastereoselective Aminooxygenation and Diamination of Alkenes with Amidines by Hypervalent Iodine(III) Reagents.","Organic letters","2014","16","23","6136","","10.1021/ol503000c","","","0.71073","MoKα","","0.0675","0.0467","","","0.1201","0.1369","","","","","","1.036","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518692","8.8866","0.0004","11.3293","0.0005","21.9439","0.0011","90","","93.332","0.003","90","","2205.55","0.18","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 Cl3 N2 O -","- C24 H23 Cl3 N2 O -","- C96 H92 Cl12 N8 O4 -","4","1","","Chen, Hui; Kaga, Atsushi; Chiba, Shunsuke","Diastereoselective Aminooxygenation and Diamination of Alkenes with Amidines by Hypervalent Iodine(III) Reagents.","Organic letters","2014","16","23","6136","","10.1021/ol503000c","","","0.71073","MoKα","","0.0682","0.0448","","","0.0975","0.1073","","","","","","1.02","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518693","12.6259","0.0006","5.511","0.0002","13.3809","0.0006","90","","107.086","0.003","90","","889.97","0.07","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H22 N2 O -","- C23 H22 N2 O -","- C46 H44 N4 O2 -","2","1","","Chen, Hui; Kaga, Atsushi; Chiba, Shunsuke","Diastereoselective Aminooxygenation and Diamination of Alkenes with Amidines by Hypervalent Iodine(III) Reagents.","Organic letters","2014","16","23","6136","","10.1021/ol503000c","","","0.71073","MoKα","","0.0559","0.0446","","","0.0976","0.1049","","","","","","1.019","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518694","31.6185","0.0016","5.5769","0.0003","18.4042","0.0008","90","","93.168","0.002","90","","3240.3","0.3","103","2","103","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C176 H160 N16 -","8","1","","Chen, Hui; Kaga, Atsushi; Chiba, Shunsuke","Diastereoselective Aminooxygenation and Diamination of Alkenes with Amidines by Hypervalent Iodine(III) Reagents.","Organic letters","2014","16","23","6136","","10.1021/ol503000c","","","0.71073","MoKα","","0.0662","0.0502","","","0.1305","0.1427","","","","","","1.06","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518695","18.5262","0.001","9.0722","0.0005","18.7024","0.001","90","","94.6251","0.0019","90","","3133.1","0.3","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H33 N3 O4 S2 -","- C36 H33 N3 O4 S2 -","- C144 H132 N12 O16 S8 -","4","1","","Chen, Hui; Kaga, Atsushi; Chiba, Shunsuke","Diastereoselective Aminooxygenation and Diamination of Alkenes with Amidines by Hypervalent Iodine(III) Reagents.","Organic letters","2014","16","23","6136","","10.1021/ol503000c","","","0.71073","MoKα","","0.0659","0.0409","","","0.0958","0.1095","","","","","","1.019","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518696","5.8261","0.0009","10.6516","0.0015","28.626","0.004","90","","95.011","0.005","90","","1769.7","0.4","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 N2 O -","- C23 H22 N2 O -","- C92 H88 N8 O4 -","4","1","","Chen, Hui; Kaga, Atsushi; Chiba, Shunsuke","Diastereoselective Aminooxygenation and Diamination of Alkenes with Amidines by Hypervalent Iodine(III) Reagents.","Organic letters","2014","16","23","6136","","10.1021/ol503000c","","","0.71073","","","0.1653","0.0692","","","0.1516","0.226","","","","","","0.974","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518697","12.03","0.002","5.6222","0.0009","13.018","0.002","90","","107.387","0.008","90","","840.2","0.2","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C44 H40 N4 O2 -","2","1","","Chen, Hui; Kaga, Atsushi; Chiba, Shunsuke","Diastereoselective Aminooxygenation and Diamination of Alkenes with Amidines by Hypervalent Iodine(III) Reagents.","Organic letters","2014","16","23","6136","","10.1021/ol503000c","","","0.71073","MoKα","","0.1523","0.0992","","","0.1557","0.1723","","","","","","1.193","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518698","5.7161","0.0003","13.5777","0.0006","24.259","0.0012","90","","90","","90","","1882.78","0.16","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 O3 -","- C22 H26 O3 -","- C88 H104 O12 -","4","1","","Fàbregas, Mireia; Gómez-Palomino, Alejandro; Pellicena, Miquel; Reina, Daniel F.; Romea, Pedro; Urpí, Fèlix; Font-Bardia, Mercè","Substrate-Controlled Michael Additions of Chiral Ketones to Enones.","Organic letters","2014","16","23","6220","","10.1021/ol503133j","","","1.54178","CuKα","","0.0333","0.0282","","","0.0687","0.071","","","","","","1.06","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518699","9.2855","0.0003","30.8566","0.001","9.7988","0.0003","90","","95.17","0.001","90","","2796.12","0.15","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 F2 O5 P -","- C33 H29 F2 O5 P -","- C132 H116 F8 O20 P4 -","4","1","","Levin, Vitalij V.; Trifonov, Alexey L.; Zemtsov, Artem A.; Struchkova, Marina I.; Arkhipov, Dmitry E.; Dilman, Alexander D.","Difluoromethylene Phosphabetaine as an Equivalent of Difluoromethyl Carbanion.","Organic letters","2014","16","23","6256","","10.1021/ol503225s","","","0.71073","MoKα","","0.0483","0.0415","","","0.1015","0.1058","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518700","12.572","0.003","14.553","0.004","20.155","0.004","96.735","0.004","103.439","0.005","101.565","0.005","3461.4","1.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C82 H88 N4 O12 -","- C82 H88 N4 O12 -","- C164 H176 N8 O24 -","2","1","","Kim, Sung Kuk; Lynch, Vincent M.; Sessler, Jonathan L.","Cone Calix[4]arene Diethyl Ester Strapped Calix[4]pyrrole: A Selective Receptor for the Fluoride Anion.","Organic letters","2014","16","23","6128","","10.1021/ol502991t","","","0.71075","MoKα","","0.1668","0.0846","","","0.1757","0.2174","","","","","","1.004","","","","has coordinates,has disorder","301776","2025-08-18","14:47:53",""
"1518701","11.09","0.0012","33.038","0.003","20.233","0.002","90","","102.967","0.003","90","","7224.2","1.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C80 H85 Cl3 Cs F N4 O11 -","- C79 H84 Cs F N4 O11 -","- C316 H336 Cs4 F4 N16 O44 -","4","1","","Kim, Sung Kuk; Lynch, Vincent M.; Sessler, Jonathan L.","Cone Calix[4]arene Diethyl Ester Strapped Calix[4]pyrrole: A Selective Receptor for the Fluoride Anion.","Organic letters","2014","16","23","6128","","10.1021/ol502991t","","","0.71073","MoKα","","0.0811","0.0526","","","0.1174","0.128","","","","","","1.122","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518702","16.8102","0.0014","21.0789","0.0016","19.1698","0.0014","90","","94.179","0.002","90","","6774.6","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C79 H86 N4 O12 -","- C79 H84 N4 O12 -","- C316 H336 N16 O48 -","4","1","","Kim, Sung Kuk; Lynch, Vincent M.; Sessler, Jonathan L.","Cone Calix[4]arene Diethyl Ester Strapped Calix[4]pyrrole: A Selective Receptor for the Fluoride Anion.","Organic letters","2014","16","23","6128","","10.1021/ol502991t","","","0.71075","MoKα","","0.1459","0.0789","","","0.1387","0.1618","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518703","19.9315","0.0009","23.719","0.003","20.402","0.0016","90","","116.015","0.005","90","","8667.9","1.4","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C144 H96 Cl4 F N14 O8 -","- C86 H102 F N5 O11 -","- C344 H408 F4 N20 O44 -","4","0.5","","Kim, Sung Kuk; Lynch, Vincent M.; Sessler, Jonathan L.","Cone Calix[4]arene Diethyl Ester Strapped Calix[4]pyrrole: A Selective Receptor for the Fluoride Anion.","Organic letters","2014","16","23","6128","","10.1021/ol502991t","","","0.71073","MoKα","","0.0645","0.0546","","","0.1477","0.1549","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518704","13.144","0.006","8.737","0.004","12.237","0.004","90","","92.09","0.03","90","","1404.4","1","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 -","- C19 H14 N2 -","- C76 H56 N8 -","4","1","","Pang, Xinlong; Chen, Chao; Su, Xiang; Li, Ming; Wen, Lirong","Diverse Tandem Cyclization Reactions of o-Cyanoanilines and Diaryliodonium Salts with Copper Catalyst for the Construction of Quinazolinimine and Acridine Scaffolds.","Organic letters","2014","16","23","6228","","10.1021/ol503156g","","","0.71073","MoKα","","0.1146","0.0544","","","0.0936","0.1163","","","","","","1.002","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518705","13.68","0.004","17.357","0.006","8.158","0.002","90","","97.15","0.02","90","","1922","1","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 Br N4 -","- C23 H21 Br N4 -","- C92 H84 Br4 N16 -","4","1","","Pang, Xinlong; Chen, Chao; Su, Xiang; Li, Ming; Wen, Lirong","Diverse Tandem Cyclization Reactions of o-Cyanoanilines and Diaryliodonium Salts with Copper Catalyst for the Construction of Quinazolinimine and Acridine Scaffolds.","Organic letters","2014","16","23","6228","","10.1021/ol503156g","","","0.71073","MoKα","","0.1151","0.0624","","","0.1201","0.1424","","","","","","1.166","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1521340","4.90363","","4.90363","","23.93459","","90","","90","","120","","498.416","","","","","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","Sr (Al2 B2 O7)","","- Al2 B2 O7 Sr -","- Al2 B2 O7 Sr -","- Al6 B6 O21 Sr3 -","3","0.166667","","Kaduk, J.A.; Satek, L.C.; McKenna, S.T.","Crystal structures of metal aluminium borates","The Rigaku Journal","1999","16","","17","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521354","10.57945","","10.57945","","5.67357","","90","","90","","90","","635.013","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Cu2 (Al6 B4 O17)","","- Al6 B4 Cu2 O17 -","- Al6.004 B4 Cu1.996 O17 -","- Al12.008 B8 Cu3.992 O34 -","2","0.125","","Kaduk, J.A.; McKenna, S.T.; Satek, L.C.","Crystal structures of metal aluminium borates","The Rigaku Journal","1999","16","","17","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","141563","2020-10-21","18:00:00",""
"1522067","2.877","","2.877","","3.585","","90","","90","","90","","29.674","","","","","","","","","","","","","2","P 4/m m m","-P 4 2","123","","","","- Mn Pd -","- Mn Pd -","- Mn Pd -","1","0.0625","","Kjekshus, A.; Pearson, W.B.; Mollerud, R.; Andresen, A.F.","Equiatomic transition metal alloys of manganese, VI. Structural and magnetic properties of Pd-Mn phases","Philosophical Magazine, Serie 8(1956-)","1967","16","","1063","1083","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522069","2.733","","2.733","","2.733","","90","","90","","90","","20.414","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Mn Pd -","- Mn Pd -","- Mn Pd -","1","0.0208333","","Kjekshus, A.; Mollerud, R.; Andresen, A.F.; Pearson, W.B.","Equiatomic transition metal alloys of manganese, VI. Structural and magnetic properties of Pd-Mn phases","Philosophical Magazine, Serie 8(1956-)","1967","16","","1063","1083","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522421","4.055","","4.055","","4.055","","90","","90","","90","","66.676","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pd3 Tm -","- Pd3 Tm -","- Pd3 Tm -","1","0.0208333","","Malik, S.K.; Dhar, S.K.; Vijayaraghavan, R.","Boron addition to R Pd3 compounds (R=rare earth)","Materials Research Bulletin","1981","16","","1557","1560","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522576","4.87","","4.87","","4.06","","90","","90","","120","","83.39","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Fe5 Y -","- Fe5 Y -","- Fe5 Y -","1","0.0416667","","Nassau, K.; Cherry, L.V.; Wallace, W.E.","Intermetallic compounds between lanthanons and transition metals of the first long period. I. Preparation, existence and structural studies","Journal of Physics and Chemistry of Solids","1960","16","","123","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522577","7.22","","7.22","","7.22","","90","","90","","90","","376.367","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ni2 Sm -","- Ni2 Sm -","- Ni16 Sm8 -","8","0.0416667","","Nassau, K.; Cherry, L.V.; Wallace, W.E.","Intermetallic compounds between lanthanons and transition metals of the first long period. I. Preparation, existence structural studies","Journal of Physics and Chemistry of Solids","1960","16","","123","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522578","4.96","","4.96","","4.15","","90","","90","","120","","88.418","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Fe5 Sm -","- Fe5 Sm -","- Fe5 Sm -","1","0.0416667","","Nassau, K.; Cherry, L.V.; Wallace, W.E.","Intermetallic compounds between lanthanons and transition metals of the first long period. I. Preparation, existence and structural studies","Journal of Physics and Chemistry of Solids","1960","16","","123","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522629","4.923","","4.923","","4.004","","90","","90","","120","","84.04","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Fe0.2 Ni0.8 )5 Tb","","- Fe Ni4 Tb -","- Fe Ni4 Tb -","- Fe Ni4 Tb -","1","0.0416667","","Oesterreicher, H.; Parker, F.T.; Misroch, M.","Giant intrinsic magnetic hardness in R Fe5-x Nix (R= rare earth, x= 4 to 5)","Appplied Physics (Berlin)","1978","16","","185","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522630","5.002","","5.002","","4.015","","90","","90","","120","","86.997","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Fe0.2 Ni0.8)5 Pr","","- Fe Ni4 Pr -","- Fe Ni4 Pr -","- Fe Ni4 Pr -","1","0.0416667","","Oesterreicher, H.; Misroch, M.; Parker, F.T.","Giant intrinsic magnetic hardness in R Fe5-x Nix (R= rare earth, x= 4 to 5)","Appplied Physics (Berlin)","1978","16","","185","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522649","5.413","","5.413","","6.756","","90","","90","","120","","171.434","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Gd2 In -","- Gd2 In -","- Gd4 In2 -","2","0.0833333","","Palenzona, A.","The cystal structure and lattice constants of RE2 In and some RE5 In3 compounds","Journal of the Less-Common Metals","1968","16","","379","384","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522720","13.31","","4.098","","4.242","","90","","90","","90","","231.377","","","","","","","","","","","","","2","C m m m","-C 2 2","65","","","","- Ga2 Sc -","- Ga2 Sc -","- Ga8 Sc4 -","4","0.25","","Popova, S.V.; Fomicheva, L.N.; Putro, V.G.","High-pressure phases in the Sc-Ga system","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1980","16","","1563","1567","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522735","6.05","","6.05","","6.05","","90","","90","","90","","221.445","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Mg Ni2 Sb -","- Mg Ni2 Sb -","- Mg4 Ni8 Sb4 -","4","0.0208333","","Rahlfs, P.","Ueber einige neue ternaere Verbindungen mit einer Ueberstruktur des beta-Messing","Metallwirtschaft, Metallwissenschaft, Metalltechnik","1937","16","","640","643","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522736","6.097","","6.097","","6.097","","90","","90","","90","","226.646","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Mg Ni2 Sn -","- Mg Ni2 Sn -","- Mg4 Ni8 Sn4 -","4","0.0208333","","Rahlfs, P.","Ueber einige neue ternaere Verbindungen mit einer Ueberstruktur des beta-Messing","Metallwirtschaft, Metallwissenschaft, Metalltechnik","1937","16","","640","643","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522737","5.275","","5.275","","4.234","","90","","90","","120","","102.03","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ni3 Sn -","- Ni3 Sn -","- Ni6 Sn2 -","2","0.0833333","","Rahlfs, P.","Die Kristallstruktur des Ni3 Sn (Mg3 Cd-Typ= Ueberstruktur der hexagonal dichtesten Kugelpackung)","Metallwirtschaft, Metallwissenschaft, Metalltechnik","1937","16","","343","345","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522938","4.046","","4.046","","4.046","","90","","90","","90","","66.233","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pd3 Yb -","- Pd3 Yb -","- Pd3 Yb -","1","0.0208333","","Speight, J.D.; Harris, I.R.; Raynor, G.V.","The electronic state of Yb in some alpha-Pd-Yb alloys","Journal of the Less-Common Metals","1968","16","","164","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522939","3.983","","3.983","","3.983","","90","","90","","90","","63.187","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Pd0.85 Yb0.15)","","- Pd0.85 Yb0.15 -","- Pd0.85 Yb0.15 -","- Pd3.4 Yb0.6 -","4","0.0208333","","Speight, J.D.; Harris, I.R.; Raynor, G.V.","The electronic state of Yb in some alpha-Pd-Yb alloys","Journal of the Less-Common Metals","1968","16","","164","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","143235","2020-10-21","18:00:00",""
"1522977","2.9","","2.9","","2.9","","90","","90","","90","","24.389","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Mn V -","- Mn V -","- Mn V -","1","0.0208333","","Suzuki, Tomoo; Hagiwara, Masuo","CsCl-Type Order-Disorder Transition in δ-VMn Solid Solutions","Transactions of the Japan Institute of Metals","1975","16","8","473","479","10.2320/matertrans1960.16.473","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522978","2.929","","2.929","","2.929","","90","","90","","90","","25.128","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Mn V)","","- Mn V -","- Mn V -","- Mn V -","1","0.0104167","","Suzuki, Tomoo; Hagiwara, Masuo","CsCl-Type Order-Disorder Transition in δ-VMn Solid Solutions","Transactions of the Japan Institute of Metals","1975","16","8","473","479","10.2320/matertrans1960.16.473","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523008","4.346","","4.346","","6.835","","90","","90","","120","","111.802","","","","","","","","","","","","","3","P 3","P 3","143","","Bi Te I","","- Bi I Te -","- Bi I Te -","- Bi I Te -","1","0.333333","","Tomokiyo, A.; Kawano, S.; Okada, T.","Phase diagram of system (Bi2 Te3)-(Bi I3) and crystal structure of Bi Te I","Japanese Journal of Applied Physics","1977","16","","291","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523035","3.204","","3.204","","5.207","","90","","90","","120","","46.292","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Mg0.996 Zr0.004)","","- Mg0.996 Zr0.004 -","- Mg0.996 Zr0.004 -","- Mg1.992 Zr0.008 -","2","0.0833333","","Varich, N.I.; Litvin, B.N.","Study of Mg-Mn and Mg-Zr alloys prepared by quenching from the melt","Fizika Metallov i Metallovedenie","1963","16","","29","32","","","","","","","","","","","","","","","","","","","","","","has coordinates","143367","2020-10-21","18:00:00",""
"1523069","5.139","","5.139","","5.139","","90","","90","","90","","135.718","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Nb3 Pt -","- Nb3 Pt -","- Nb6 Pt2 -","2","0.0416667","","Waterstrat, R.M.; Giessen, B.C.","The niobium (columbium)-platinum constitution diagram","Metallurgical Transactions A: Physical Metallurgy and Materials Science","1985","16","","1943","1949","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523070","3.26","","3.26","","3.26","","90","","90","","90","","34.646","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Nb0.9 Pt0.1)","","- Nb0.9 Pt0.1 -","- Nb0.9 Pt0.1 -","- Nb1.8 Pt0.2 -","2","0.0208333","","Waterstrat, R.M.; Giessen, B.C.","The niobium (columbium)-platinum constitution diagram","Metallurgical Transactions A: Physical Metallurgy and Materials Science","1985","16","","1943","1949","","","","","","","","","","","","","","","","","","","","","","has coordinates","143464","2020-10-21","18:00:00",""
"1523092","6.36","","6.36","","6.36","","90","","90","","90","","257.259","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","(Ga0.133 Hg0.8) Te","","- Ga0.133 Hg0.8 Te -","- Ga0.133 Hg0.8 Te -","- Ga0.532 Hg3.2 Te4 -","4","0.0416667","","Woolley, J.C.; Ray, B.","Effects of solid solution of Ga2 Te3 with A(II) B(VI) tellurides","Journal of Physics and Chemistry of Solids","1960","16","","102","1061","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523093","6","","6","","6","","90","","90","","90","","216","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","(Ga0.33 Zn0.5) Te","","- Ga0.33 Te Zn0.5 -","- Ga0.33 Te Zn0.5 -","- Ga1.32 Te4 Zn2 -","4","0.0416667","","Woolley, J.C.; Ray, B.","Effects of solid sulution of Ga2 Te3 with A(II) B(VI) tellurides","Journal of Physics and Chemistry of Solids","1960","16","","102","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523249","5.645","","5.645","","13.851","","90","","90","","120","","382.243","","","","","","","","","","","","","2","P -3 1 c","-P 3 2c","163","","","","- Pt3 Tl2 -","- Pt3 Tl2 -","- Pt12 Tl8 -","4","0.333333","","Bhan, S.; Goedecke, T.; Panday, P.K.; Schubert, K.","Ueber die Mischungen Pd-Tl und Pt-Tl","Journal of the Less-Common Metals","1968","16","","415","425","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523783","3.9416","","3.9416","","3.9416","","90","","90","","90","","61.238","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Pt0.9 Sn0.1)","","- Pt0.9 Sn0.1 -","- Pt0.9 Sn0.1 -","- Pt3.6 Sn0.4 -","4","0.0208333","","Harris, I.R.; Norman, M.; Bryant, A.W.","A study of some Pd-In, Pt-In and Pt-Sn alloys","Journal of the Less-Common Metals","1968","16","","427","440","","","","","","","","","","","","","","","","","","","","","","has coordinates","144405","2020-10-21","18:00:00",""
"1523956","19.865","","11.469","","9.94","","90","","109.02","","90","","2141.01","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Ba8 Cu2 O54 Ti22","","- Ba6 Cu1.328 O49 Ti16.176 -","- Ba6 Cu1.328 O49 Ti16.176 -","- Ba12 Cu2.656 O98 Ti32.352 -","2","0.25","","Adams, R.D.; Layland, R.C.","A barium coppper titanate. The synthesis and structural characterization of Ba8 Cu2 Ti22 O54","Polyhedron","1997","16","","2105","2108","","","","","","","","","","","","","","","","","","","","","","has coordinates","144586","2020-10-21","18:00:00",""
"1524038","6.0825","","6.043","","8.5409","","90","","90.44","","90","","313.925","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ba2 La (Ru O6)","","- Ba2 La O6 Ru -","- Ba2 La O6 Ru -","- Ba4 La2 O12 Ru2 -","2","0.5","","Battle, P.D.","The crystal structures of Ba2 La Ru O6 and Ca2 La Ru O6","Materials Research Bulletin","1981","16","","397","405","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524039","5.6179","","5.835","","8.0667","","90","","89.76","","90","","264.428","","","","","","","","","","","","","4","P -1","-P 1","2","","Ca2 La Ru O6","","- Ca2 La O6 Ru -","- Ca2 La O6 Ru -","- Ca4 La2 O12 Ru2 -","2","1","","Battle, P.D.","The crystal structures of Ba2 La Ru O6 and Ca2 La Ru O6","Materials Research Bulletin","1981","16","","397","405","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524133","4.854","","4.854","","3.964","","90","","90","","120","","80.884","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Er Ni5 -","- Er Ni5 -","- Er Ni5 -","1","0.0416667","","Buschow, K.H.J.","Crystal structures, magnetic properties and phase relations of erbium-nickel intermetallic compounds","Journal of the Less-Common Metals","1968","16","","45","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524205","5.486","","5.486","","3.541","","90","","90","","120","","92.293","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Dy Rh3 Si2 -","- Dy Rh3 Si2 -","- Dy Rh3 Si2 -","1","0.0416667","","Chevalier, B.; Etourneau, J.; Cole, A.; Lejay, P.","New ternary silicides in rare earth-rhodium-silicon system. Crystal structure and magnetic properties","Materials Research Bulletin","1981","16","","1067","1075","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524255","4.061","","4.061","","4.061","","90","","90","","90","","66.973","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Er Pd3 -","- Er Pd3 -","- Er Pd3 -","1","0.0208333","","Dhar, S.K.; Malik, S.K.; Vijayaraghavan, R.","Boron addition to R Pd3 compounds (R= rare earth)","Materials Research Bulletin","1981","16","","1557","1560","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524303","5.415","","3.348","","12.162","","90","","90","","90","","220.49","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ni Nb P2","","- Nb Ni P2 -","- Nb Ni P2 -","- Nb4 Ni4 P8 -","4","0.5","","El Ghadraoui, E.H.; Potel, M.; Guerin, R.; Sergent, M.","Nouveau phosphure ternaire Ni Nb P2 a liaison nickel-nickel et nickel-niobium et compose isotype Ni Ta P2","Materials Research Bulletin","1981","16","","933","941","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524386","4.318","","4.318","","4.318","","90","","90","","90","","80.51","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Mo2 Nb2 C3)1.14","","- C4 Mo2.18 Nb1.82 -","- C4 Mo2.18 Nb1.82 -","- C4 Mo2.18 Nb1.82 -","1","0.00520833","","Funke, V.F.; Pshenichnyi, I.V.; Zubarev, P.V.; Pliner, L.A.; Lyakhov, D.M.; Golomazov, V.M.","Some physicochemical properties of Zr C - Nb C - Mo1-x alloys","Soviet Powder Metallurgy and Metal Ceramics","1977","16","","968","973","","","","","","","","","","","","","","","","","","","","","","has coordinates","145140","2020-10-21","18:00:00",""
"1524481","10.294","","10.294","","10.294","","90","","90","","90","","1090.82","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Li6 V Cl8","","- Cl8 Li6 V -","- Cl8 Li6 V -","- Cl32 Li24 V4 -","4","0.0208333","","Hanebali, L.; Machej, T.; Hagenmuller, P.; Cros, C.","Sur le systeme Li Cl - V Cl2","Materials Research Bulletin","1981","16","","887","901","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524532","5.593","","5.593","","9.395","","90","","90","","90","","293.891","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","","","- Cu2 Ge O4 -","- Cu2 Ge O4 -","- Cu8 Ge4 O16 -","4","0.125","","Hegenbart, W.; Range, K.J.; Rau, F.","High pressure synthesis of Cu2 Ge O4 with Hausmannite structure","Materials Research Bulletin","1981","16","","413","417","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524563","5.062","","10.117","","11.687","","90","","90","","90","","598.518","","","","","","","","","","","","","3","P n n a","-P 2a 2bc","52","","Ge As Se","","- As Ge Se -","- As Ge Se -","- As8 Ge8 Se8 -","8","1","","Hulliger, F.; Siegrist, T.","The crystal structure of Ge As Se","Materials Research Bulletin","1981","16","","1245","1251","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524605","5.8603","","5.8603","","14.3037","","90","","90","","120","","425.421","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ba3 (Te2 O9)","","- Ba3 O9 Te2 -","- Ba3 O9 Te2 -","- Ba6 O18 Te4 -","2","0.0833333","","Jacobson, A.J.; Scanlon, J.C.; Cox, D.E.; Longo, J.M.; Poeppelmeier, K.R.","The preparation and characterization of Ba3 Te2 O9: a new oxide structure","Materials Research Bulletin","1981","16","","359","367","","","","","","","","","","","","","","","","","","","","","","has coordinates","145398","2020-10-21","18:00:00",""
"1524616","4.905","","4.905","","4.905","","90","","90","","90","","118.01","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Cd0.05 Pb0.95 -","- Cd0.05 Pb0.95 -","- Cd0.2 Pb3.8 -","4","0.0208333","","Jenckel, E.; Maeder, H.","Ueber die Loeslichkeit des Cadmiums in Blei im festen Zustand und die dabei festgestellte Unveraenderlichkeit des Gitterparameters von Blei","Metallwirtschaft, Metallwissenschaft, Metalltechnik","1937","16","","499","502","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524840","10.022","","3.047","","16.877","","90","","99.2","","90","","508.744","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ca2 Fe9 O13 -","- Ca2 Fe9 O13 -","- Ca4 Fe18 O26 -","2","0.25","","Malaman, B.; Alebouyeh, H.; Jeannot, F.; Courtois, A.; Evrard, O.; Gerardin, R.","Preparation et caracterisation des ferrites de calcium Ca Fe2+n O4+n a valeurs fractionnaires de n (3/2, 5/2) et leur incidence sur le diagramme Fe-Ca-O a 1120 C","Materials Research Bulletin","1981","16","","1139","1148","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524841","9.96","","3.03","","15.77","","90","","118","","90","","420.212","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ca2 Fe7 O11 -","- Ca2 Fe7 O11 -","- Ca4 Fe14 O22 -","2","0.25","","Malaman, B.; Alebouyeh, H.; Jeannot, F.; Evrard, O.; Courtois, A.; Gerardin, R.","Preparation et caracterisation des ferrites de calcium Ca Fe2+n O4+n a valeurs fractionnaires de n (3/2, 5/2) et leur incidence sur le diagramme Fe-Ca-O a 1120 C","Materials Research Bulletin","1981","16","","1139","1148","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524915","9.213","","3.482","","10.292","","90","","114.46","","90","","300.532","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Fe Nb3 Se10 -","- Fe Nb3 Se10 -","- Fe Nb3 Se10 -","1","0.25","","Meerschaut, A.; Gressier, P.; Guemas, L.; Rouxel, J.","Structural determination of a new one-dimensional niobium chalcogenide: Fe Nb3 Se10","Materials Research Bulletin","1981","16","","1035","1040","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524973","4.9","","4.9","","4.1","","90","","90","","120","","85.252","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Dy Fe5 -","- Dy Fe5 -","- Dy Fe5 -","1","0.0416667","","Nassau, K.; Cherry, L.V.; Wallace, W.E.","Intermetallic compounds between lanthanons and transition metals of the first long period. I. Preparation, existence and structural studies","Journal of Physics and Chemistry of Solids","1960","16","","123","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524974","4.86","","4.86","","4.1","","90","","90","","120","","83.866","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Fe5 Ho -","- Fe5 Ho -","- Fe5 Ho -","1","0.0416667","","Nassau, K.; Cherry, L.V.; Wallace, W.E.","Intermetallic compounds between lanthanons and transition metals of the first long period. I. Preparation, existence and structural studies","Journal of Physics and Chemistry of Solids","1960","16","","123","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524975","4.86","","4.86","","4","","90","","90","","120","","81.821","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Ce Fe5 -","- Ce Fe5 -","- Ce Fe5 -","1","0.0416667","","Nassau, K.; Cherry, L.V.; Wallace, W.E.","Intermetallic compounds between lanthanons and transition metals of the first long period. I. Preparation, existence and structural studies","Journal of Physics and Chemistry of Solids","1960","16","","123","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524991","6.497","","6.414","","6.601","","90","","93.23","","90","","274.638","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","Mg2 Ni H4","","- H4 Mg2 Ni -","- Mg2 Ni -","- Mg8 Ni4 -","4","1","","Noreus, D.; Werner, P.E.","The crystal structure of the low temperature phase Mg2 Ni H4 (LT)","Materials Research Bulletin","1981","16","","199","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525009","4.933","","4.933","","4.012","","90","","90","","120","","84.55","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","(Ce0.43 Sm0.57) (Fe Ni4)","","- Ce0.43 Fe Ni4 Sm0.57 -","- Ce0.43 Fe Ni4 Sm0.57 -","- Ce0.43 Fe Ni4 Sm0.57 -","1","0.0416667","","Oesterreicher, H.; Parker, F.T.; Misroch, M.","Giant intrinsic magnetic hardness in R Fe5-x Nix (R= rare earth; x= 4 to 5)","Appl. Phys. A","1978","16","","185","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525010","4.882","","4.882","","3.995","","90","","90","","120","","82.46","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Er (Fe0.2 Ni0.8)5","","- Er Fe Ni4 -","- Er Fe Ni4 -","- Er Fe Ni4 -","1","0.0416667","","Oesterreicher, H.; Misroch, M.; Parker, F.T.","Giant intrinsic magnetic hardness in R Fe5-x Nix (R= rare earth, x=4 to 5)","Appplied Physics (Berlin)","1978","16","","185","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525011","4.923","","4.923","","3.987","","90","","90","","120","","83.683","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Fe0.2 Ni0.8)5 Gd","","- Fe Gd Ni4 -","- Fe Gd Ni4 -","- Fe Gd Ni4 -","1","0.0416667","","Oesterreicher, H.; Parker, F.T.; Misroch, M.","Giant intrinsic magnetic hardness in R Fe5-x Nix (R= rare earth; x= 4 to 5)","Appplied Physics (Berlin)","1978","16","","185","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525012","4.89","","4.89","","3.995","","90","","90","","120","","82.73","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","(Fe Ni4) (Gd0.5 Tm0.5)","","- Fe Gd0.5 Ni4 Tm0.5 -","- Fe Gd0.5 Ni4 Tm0.5 -","- Fe Gd0.5 Ni4 Tm0.5 -","1","0.0416667","","Oesterreicher, H.; Parker, F.T.; Misroch, M.","Giant intrinsic magnetic hardness in R Fe5-x Nix (R= rare earth; x= 4 to 5)","Appplied Physics (Berlin)","1978","16","","185","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525013","4.89","","4.89","","3.997","","90","","90","","120","","82.772","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Fe.2 Ni.8)5 Ho","","- Fe Ho Ni4 -","- Fe Ho Ni4 -","- Fe Ho Ni4 -","1","0.0416667","","Oesterreicher, H.; Parker, F.T.; Misroch, M.","Giant intrinsic magnetic hardness in R Fe5-x Nix (R= rare earth; x= 4 to 5)","Appplied Physics (Berlin)","1978","16","","185","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525014","4.932","","4.932","","3.987","","90","","90","","120","","83.989","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","(Co0.4 Ni0.6)5 (Gd0.5 Sm0.5)","","- Co2 Gd0.5 Ni3 Sm0.5 -","- Co2 Gd0.5 Ni3 Sm0.5 -","- Co2 Gd0.5 Ni3 Sm0.5 -","1","0.0416667","","Oesterreicher, H.; Parker, F.T.; Misroch, M.","Influence of partial rare-earth substitution for Sm in the giant intrinsic magnetic hardness compound Sm Co2 Ni3","Applied Physics A","1978","16","","67","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","145902","2020-10-21","18:00:00",""
"1525015","4.972","","4.972","","3.985","","90","","90","","120","","85.314","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","(Co2 Ni3) (Pr0.5 Sm0.5)","","- Co2 Ni3 Pr0.5 Sm0.5 -","- Co2 Ni3 Pr0.5 Sm0.5 -","- Co2 Ni3 Pr0.5 Sm0.5 -","1","0.0416667","","Oesterreicher, H.; Parker, F.T.; Misroch, M.","Influence of partial rare-earth substitution for Sm in the giant intrinsic magnetic hardness compound Sm Co2 Ni3","Applied Physics A","1978","16","","67","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","145903","2020-10-21","18:00:00",""
"1525016","4.948","","4.948","","3.97","","90","","90","","120","","84.174","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Co3 Ni2) Sm","","- Co3 Ni2 Sm -","- Co3 Ni2 Sm -","- Co3 Ni2 Sm -","1","0.0416667","","Oesterreicher, H.; Parker, F.T.; Misroch, M.","Influence of partial rare-earth substitution in the giant intrinsic magnetic hardness compound Sm Co2 Nir","Applied Physics A","1978","16","","67","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525017","4.912","","4.912","","3.956","","90","","90","","120","","82.662","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","(Co2 Ni3) (Sm0.5 Y0.5)","","- Co2 Ni3 Sm0.5 Y0.5 -","- Co2 Ni3 Sm0.5 Y0.5 -","- Co2 Ni3 Sm0.5 Y0.5 -","1","0.0416667","","Oesterreicher, H.; Parker, F.T.; Misroch, M.","Influence of partial rare-earth substitution in the giant intrinsic magnetic hardness compound Sm Co2 Nir","Applied Physics A","1978","16","","67","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","145905","2020-10-21","18:00:00",""
"1525018","4.901","","4.901","","4.101","","90","","90","","120","","85.308","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Dy (Fe Ni4)","","- Dy Fe Ni4 -","- Dy Fe Ni4 -","- Dy Fe Ni4 -","1","0.0416667","","Oesterreicher, H.; Parker, F.T.; Misroch, M.","Giant intrinsic magnetic hardness in R Fe5-x Nix (R= rare earth, x= 4 to 5)","Applied Physics A","1978","16","","185","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525019","4.901","","4.901","","3.978","","90","","90","","120","","82.749","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","(Co2 Ni3) (Er0.5 Sm0.5)","","- Co2 Er0.5 Ni3 Sm0.5 -","- Co2 Er0.5 Ni3 Sm0.5 -","- Co2 Er0.5 Ni3 Sm0.5 -","1","0.0416667","","Oesterreicher, H.; Parker, F.T.; Misroch, M.","Influence of partial rare-earth substitution for Sm in the giant intrinsic magnetic hardness compound Sm Co2 Ni3","Applied Physics A","1978","16","","67","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","145907","2020-10-21","18:00:00",""
"1525038","2.9704","","2.9704","","5.6007","","90","","90","","120","","42.796","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Cd0.961 Zn0.039 -","- Cd0.961 Zn0.039 -","- Cd1.922 Zn0.078 -","2","0.0833333","","Owen, E.A.; Davies, D.A.","An X-ray study of the mutual solid solubilities of zinc and cadmium","British Journal of Applied Physics","1965","16","","1291","1295","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525112","3.697","","3.697","","3.659","","90","","90","","90","","50.011","","","","","","","","","","","","","2","P 4/m m m","-P 4 2","123","","","","- Cu3 Pd -","- Cu3 Pd -","- Cu3 Pd -","1","0.0625","","Presnyakov, A.A.; Dautova, L.I.; Dzhanbusinov, E.A.","The structural forms of the Cu - Pd solid solution of approximate composition Cu3 Pd","Fizika Metallov i Metallovedenie","1963","16","","52","55","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525113","3.701","","3.701","","3.701","","90","","90","","90","","50.694","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Cu2.85 Pd1.15)","","- Cu2.85 Pd1.15 -","- Cu2.848 Pd1.152 -","- Cu2.848 Pd1.152 -","1","0.00520833","","Presnyakov, A.A.; Dautova, L.I.; Dzhanbusinov, E.A.","The structural forms of the Cu - Pd solid solution of approximate composition Cu3 Pd","Fizika Metallov i Metallovedenie","1963","16","","52","55","","","","","","","","","","","","","","","","","","","","","","has coordinates","146010","2020-10-21","18:00:00",""
"1525124","5.857","","5.857","","5.857","","90","","90","","90","","200.921","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Cu0.6 Ni0.4)3 Sb","","- Cu1.8 Ni1.2 Sb -","- Cu1.8 Ni1.2 Sb -","- Cu7.2 Ni4.8 Sb4 -","4","0.0208333","","Rahlfs, P.","Ueber einige neue ternaere Verbindungen mit einer Ueberstruktur des beta-Messings","Metallwirtschaft, Metallwissenschaft, Metalltechnik","1937","16","","640","643","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525125","5.946","","5.946","","5.946","","90","","90","","90","","210.22","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Cu0.6 Ni0.4)3 Sn","","- Cu1.8 Ni1.2 Sn -","- Cu1.8 Ni1.2 Sn -","- Cu7.2 Ni4.8 Sn4 -","4","0.0208333","","Rahlfs, P.","Ueber einige neue ternaere Verbindungen mit einer Ueberstruktur des beta-Messings","Metallwirtschaft, Metallwissenschaft, Metalltechnik","1937","16","","640","643","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525139","10.25","","10.25","","10.25","","90","","90","","90","","1076.89","","","","","","","","","","","","","3","I 2 3","I 2 2 3","197","","","","- Bi18 Mg8 O36 -","- Bi18.0008 Mg7.9992 O36 -","- Bi18.0008 Mg7.9992 O36 -","1","0.0416667","","Ramnan, A.; Rao, C.N.R.; Gopalakrishnan, J.","Ternary bismuth oxides Bi26-x Mx O40-y (M = Mg, Al, Co, Ni) related to Bi2 O3-gamma","Materials Research Bulletin","1981","16","","169","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525140","10.25","","10.25","","10.25","","90","","90","","90","","1076.89","","","","","","","","","","","","","3","I 2 3","I 2 2 3","197","","","","- Bi18 Ni8 O36 -","- Bi18.0008 Ni7.9992 O36 -","- Bi18.0008 Ni7.9992 O36 -","1","0.0416667","","Ramnan, A.; Gopalakrishnan, J.; Rao, C.N.R.","Ternary bismuth oxides Bi26-x Mx O40-y (M = Mg, Al, Co, Ni) related to Bi2 O3-gamma","Materials Research Bulletin","1981","16","","169","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525200","15.63","","3.86","","10.33","","90","","107.6","","90","","594.055","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Na2 Cu4 S3","","- Cu4 Na2 S3 -","- Cu4 Na2 S3 -","- Cu16 Na8 S12 -","4","0.5","","Savelsberg, G.; Schaefer, H.","Zur Kenntnis von Na2 Cu4 S3 und K Cu3 Te2","Materials Research Bulletin","1981","16","","1291","1297","","","","","","","","","","","","","","","","","","","","","","has coordinates","146118","2020-10-21","18:00:00",""
"1525201","16.453","","4.294","","8.661","","90","","111.86","","90","","567.895","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","K Cu3 Te2","","- Cu3 K Te2 -","- Cu3 K Te2 -","- Cu12 K4 Te8 -","4","0.5","","Savelsberg, G.; Schaefer, H.","Zur Kenntnis von Na2 Cu4 S3 und K Cu3 Te2","Materials Research Bulletin","1981","16","","1291","1297","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525345","2.741","","2.741","","4.445","","90","","90","","120","","28.921","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","(Co0.4 Nb0.3 Pt0.3)","","- Co0.4 Nb0.3 Pt0.3 -","- Co0.4 Nb0.3 Pt0.3 -","- Co0.8 Nb0.6 Pt0.6 -","2","0.0833333","","Statnova, E.A.; Kuprina, V.V.; Sokolovskaya, E.M.","A study of the interaction of Nb(Ta) Pt2 intermetallic compounds with Laves-phases in Nb(Ta) - Co systems","Vestnik Moskovskogo Universiteta, Khimiya","1975","16","","115","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","146279","2020-10-21","18:00:00",""
"1525387","3.617","","3.617","","38.99","","90","","90","","120","","441.754","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Na0.32 Cr1.15 Se2","","- Cr1.15 Na0.32 Se2 -","- Cr1.1465 Na0.319 Se2 -","- Cr6.879 Na1.914 Se12 -","6","0.166667","","Tigchelaar, D.; Haange, R.J.; Wiegers, G.A.; van Bruggen, C.F.","The synthesis, structure and physical properties of a non-stoichiometric sodium chromium selenide, Na0.34 Cr1.15 Se2","Materials Research Bulletin","1981","16","","729","739","","","","","","","","","","","","","","","","","","","","","","has coordinates","146344","2020-10-21","18:00:00",""
"1525388","3.617","","3.617","","38.99","","90","","90","","120","","441.754","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Na0.31 Cr1.075 Se1.888","","- Cr1.075 Na0.31 Se1.888 -","- Cr1.0745 Na0.312 Se1.888 -","- Cr6.447 Na1.872 Se11.328 -","6","0.166667","","Tigchelaar, D.; van Bruggen, C.F.; Wiegers, G.A.; Haange, R.J.","The synthesis, structure and physical properties of a non-stoichiometric sodium chromium selenide, Na0.34 Cr1.15 Se2","Materials Research Bulletin","1981","16","","729","739","","","","","","","","","","","","","","","","","","","","","","has coordinates","146345","2020-10-21","18:00:00",""
"1525396","10.523","","10.523","","10.523","","90","","90","","90","","1165.25","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Mn2.29 Sc1.14 S4","","- Mn2.29 S4 Sc1.14 -","- Mn2.29 S4 Sc1.14 -","- Mn18.32 S32 Sc9.12 -","8","0.0416667","","Tomas, A.; Guittard, M.; Barthelemy, E.; Flahaut, J.","Cystal structure of cubic Mn Sc2 S4 and Mn2.29 Sc1.14 S4","Materials Research Bulletin","1981","16","","1213","1217","","","","","","","","","","","","","","","","","","","","","","has coordinates","146353","2020-10-21","18:00:00",""
"1525432","6.91","","3.146","","16.504","","90","","90","","90","","358.778","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Pd10.66 Mn5.33 Ge8","","- Ge8 Mn5.33 Pd10.66 -","- Ge8 Mn5.32 Pd10.68 -","- Ge8 Mn5.32 Pd10.68 -","1","0.125","","Venturini, G.; Malaman, B.; Roques, B.; Steinmetz, J.","Etude d'un nouveau germaniure ternaire: Pd12 Mn4 Ge8, de structure apparentee aux types Fe2 P, Co2 P et Fe2 As","Materials Research Bulletin","1981","16","","715","722","","","","","","","","","","","","","","","","","","","","","","has coordinates","146391","2020-10-21","18:00:00",""
"1525437","3.9915","","3.9915","","4.025","","90","","90","","90","","64.127","","","","","","","","","","","","","3","P 4 m m","P 4 -2","99","","Ba (Ti O3)","","- Ba O3 Ti -","- Ba O3 Ti -","- Ba O3 Ti -","1","0.125","","Waesche, R.; Denner, W.; Schulz, H.","Influence of high hydrostatic pressure on the crystal structure of barium titanate ( Ba Ti O3 )","Materials Research Bulletin","1981","16","","497","500","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525447","9.515","","9.515","","9.515","","90","","90","","90","","861.443","","","","","","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","K2 Na Sb3 O9","","- K2 Na O9 Sb3 -","- K2 Na O9 Sb3 -","- K8 Na4 O36 Sb12 -","4","0.166667","","Watelet, H.; Picard, J.P.; Baud, G.; Besse, J.P.; Chevalier, R.","Classement des porteurs de charge et conductivite du compose K8 Na4 Sb12 O36 de structure K Sb O3 cubique","Materials Research Bulletin","1981","16","","877","882","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525448","9.497","","9.497","","9.497","","90","","90","","90","","856.563","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","H Sb O3 (H2 O)","","- H3 O4 Sb -","- O4 Sb -","- O48 Sb12 -","12","0.25","","Watelet, H.; Picard, J.P.; Baud, G.; Besse, J.P.; Chevalier, R.","Un nouveau conducteur protonique (H(H2 O)n)12 Sb12 O36 (n <= 1)","Materials Research Bulletin","1981","16","","1131","1137","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525449","9.47","","9.47","","9.47","","90","","90","","90","","849.278","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","H Sb O3 (H2 O)0.267","","- H1.534 O3.267 Sb -","- O3.26667 Sb -","- O39.2 Sb12 -","12","0.25","","Watelet, H.; Picard, J.P.; Baud, G.; Besse, J.P.; Chevalier, R.","Un nouveau conducteur protonique (H(H2 O)n)12 Sb12 O36 (n <= 1)","Materials Research Bulletin","1981","16","","1131","1137","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525518","4.452","","4.452","","41.531","","90","","90","","120","","712.875","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Bi2 Pb Te4","","- Bi6 Pb3 Te4 -","- Bi6 Pb3 Te4 -","- Bi18 Pb9 Te12 -","3","0.0833333","","Zhukova, T.B.; Zaslavskii, A.I.","Crystal structures of the compounds Pb Bi4 Te7, Pb Bi2 T4, Sn Bi4 Te7, Sn Bi2 Te4, Sn Sbe Te4, and Ge Bi4 Te7","Soviet Physics, Crystallography (= Kristallografiya)","1972","16","","796","796","","","","","","","","","","","","","","","","","","","","","","has coordinates","146511","2020-10-21","18:00:00",""
"1525525","6.629","","6.629","","6.629","","90","","90","","90","","291.302","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(Cd0.8 Zn0.2) Li","","- Cd0.8 Li Zn0.2 -","- Cd0.8 Li Zn0.2 -","- Cd6.4 Li8 Zn1.6 -","8","0.0416667","","Zwilling, M.; Schmidt, P.C.; Weiss, A.","Experimental and theoretical studies of optical properties on alloys of the intermetallic systems Li2 Ag2-x Inx and Li2 Cd2-x Inx","Applied Physics A","1978","16","","255","269","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525537","5.098","","5.098","","5.098","","90","","90","","90","","132.495","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ce0.5 Th0.5 -","- Ce0.5 Th0.5 -","- Ce2 Th2 -","4","0.0208333","","van Vucht, J.H.N.","Ternary system Th-Ce-Al","Philips Research Reports","1961","16","","1","40","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525620","12.7759","","4.9497","","5.4704","","90","","97.049","","90","","343.316","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","Pd5 B2","","- B2 Pd5 -","- B2 Pd5 -","- B8 Pd20 -","4","0.5","","Beck, M.; Mittemeijer, E.J.; Ellner, M.","Powder diffraction data for borides Pd3 B and Pd5 B2 and the formation of an amorphous boride Pd2 B","Powder Diffraction","2001","16","","98","101","","","","","","","","","","","","","","","","","","","","","","has coordinates","146648","2020-10-21","18:00:00",""
"1525757","9.3927","","9.3927","","6.8985","","90","","90","","120","","527.067","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Ca4.9 (P O4)2.82 O0.72 (O D)","","- Ca4.9 D O13 P2.82 -","- Ca4.9 D O13 P2.82 -","- Ca9.8 D2 O26 P5.64 -","2","0.166667","","Leventouri, T.; Chakoumakos, B.C.; Perdikatsis, B.; Papanearchou, N.","Comparison of crystal structure parameters of natural and synthetic apatites from neutron powder diffraction","Journal of Materials Research","2001","16","","2600","2606","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525846","3.8728","","3.8728","","37.0664","","90","","90","","120","","481.461","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Zn In2 S4","","- In2 S4 Zn -","- In2 S4 Zn -","- In6 S12 Zn3 -","3","0.0833333","","Lopez-Rivera, S.A.; Mora, A.J.; Acosta Najarro, D.; Rivera, A.V.; Avila Godoy, R.","Determination of the structure of IIIa-(Zn In2 S4) using convergent-beam electron diffraction and single-crystal X-ray diffraction","Semiconductor Science and Technology","2001","16","","367","371","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525852","9.145","","9.145","","15.099","","90","","90","","120","","1093.57","","","","","","","","","","","","","4","P 63","P 6c","173","","Cd4 (S O4) (O H)6 (H2 O)1.5","","- Cd4 H9 O11.5 S -","- Cd4 O11.5 S -","- Cd16 O46 S4 -","4","0.666667","","Louer, D.; Rius, J.; Louer, M.; Bennard-Rocherulle, P.","Structural study of cadmium hydroxide sulfates. VI. The layer structure of Cd4 S O4 (O H)6 * 1.5(H2 O) studied from X-ray powder and single-crystal diffraction data","Powder Diffraction","2001","16","","86","91","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526139","14.803","","12.582","","17.712","","90","","98.31","","90","","3264.25","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(C10 H10 N)4 (H Ge Mo12 O40)","","- C40 H41 Ge Mo12 N4 O40 -","- C40 Ge Mo12 N4 O40 -","- C80 Ge2 Mo24 N8 O80 -","2","0.5","","Niu, J.-Y.; Wang, J.-P.; Zhou, Z.-Y.","Studies on the synthesis, structure and properties of a mixed-valence molybdogermanate salt","Wuji Huaxue Xuebao","2000","16","","647","652","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526141","10.34","","4.388","","5.784","","90","","88.85","","90","","262.378","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Na H3 (Se O3)2","","- H3 Na O6 Se2 -","- Na O6 Se2 -","- Na2 O12 Se4 -","2","0.5","","Gorbatyii, L.V.; Ponomarev, V.I.; Kheiker, D.M.","Crystal structures of potassium trihydrogen selenite K H3 (Se O3)2, and sodium trihydrogen selenite, Na H3 (Se O3)2","Kristallografiya","1971","16","","899","904","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526458","5.8444","","8.1574","","7.5032","","90","","112.97","","90","","329.352","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- Bi2 O3 -","- Bi2 O3 -","- Bi8 O12 -","4","1","","Ivanov, S.A.; Orlov, V.G.; Tellgren, R.; Rundlof, H.","Structural studies of alpha-(Bi2 O3) by neutron powder diffraction","Powder Diffraction","2001","16","","227","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526670","14.79","","8.729","","5.879","","90","","90","","90","","758.99","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","K In (Mo O4)2","","- In K Mo2 O8 -","- In K Mo2 O8 -","- In4 K4 Mo8 O32 -","4","0.5","","Klevtsova, R.F.; Klevtsov, P.V.","Crystal structure and thermal stability of double potassium indium molybdate, K In (Mo O4)2","Kristallografiya","1971","16","","292","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526948","13.96062","","13.96062","","5.78483","","90","","90","","90","","1127.46","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba5 Eu8 Zn4 O21","","- Ba5 Eu8 O21 Zn4 -","- Ba5 Eu8 O21 Zn4 -","- Ba10 Eu16 O42 Zn8 -","2","0.125","","Wong-Ng, W.; Dillingham, J.; Kaduk, J.A.","Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements","Powder Diffraction","2001","16","","131","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","148234","2020-10-21","18:00:00",""
"1526949","13.91895","","13.91895","","5.76822","","90","","90","","90","","1117.52","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba5 Gd8 Zn4 O21","","- Ba5 Gd8 O21 Zn4 -","- Ba5 Gd8 O21 Zn4 -","- Ba10 Gd16 O42 Zn8 -","2","0.125","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements","Powder Diffraction","2001","16","","131","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","148235","2020-10-21","18:00:00",""
"1526950","13.80473","","13.80473","","5.72491","","90","","90","","90","","1091","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba5 Dy8 Zn4 O21","","- Ba5 Dy8 O21 Zn4 -","- Ba5 Dy8 O21 Zn4 -","- Ba10 Dy16 O42 Zn8 -","2","0.125","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements","Powder Diffraction","2001","16","","131","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","148236","2020-10-21","18:00:00",""
"1526951","13.76577","","13.76577","","5.70754","","90","","90","","90","","1081.56","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba5 Ho8 Zn4 O21","","- Ba5 Ho8 O21 Zn4 -","- Ba5 Ho8 O21 Zn4 -","- Ba10 Ho16 O42 Zn8 -","2","0.125","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements","Powder Diffraction","2001","16","","131","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","148237","2020-10-21","18:00:00",""
"1526952","13.71838","","13.71838","","5.69019","","90","","90","","90","","1070.86","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba5 Er8 Zn4 O21","","- Ba5 Er8 O21 Zn4 -","- Ba5 Er8 O21 Zn4 -","- Ba10 Er16 O42 Zn8 -","2","0.125","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements","Powder Diffraction","2001","16","","131","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","148238","2020-10-21","18:00:00",""
"1526953","13.67323","","13.67323","","5.67492","","90","","90","","90","","1060.97","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba5 Tm8 Zn4 O21","","- Ba5 O21 Tm8 Zn4 -","- Ba5 O21 Tm8 Zn4 -","- Ba10 O42 Tm16 Zn8 -","2","0.125","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements","Powder Diffraction","2001","16","","131","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","148239","2020-10-21","18:00:00",""
"1526954","13.63502","","13.63502","","5.65846","","90","","90","","90","","1051.99","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba5 Yb8 Zn4 O21","","- Ba5 O21 Yb8 Zn4 -","- Ba5 O21 Yb8 Zn4 -","- Ba10 O42 Yb16 Zn8 -","2","0.125","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements","Powder Diffraction","2001","16","","131","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","148240","2020-10-21","18:00:00",""
"1526970","3.8731","","3.8249","","11.6602","","90","","90","","90","","172.737","","","","","","","","","","","","","6","P m m m","-P 2 2","47","","(Y0.81 Ca0.19) (Ba0.9 La0.1)2 Cu3 O7.08","","- Ba1.8 Ca0.19 Cu3 La0.2 O7.08 Y0.81 -","- Ba1.8 Ca0.19 Cu3 La0.2 O7.08 Y0.81 -","- Ba1.8 Ca0.19 Cu3 La0.2 O7.08 Y0.81 -","1","0.125","","Wu, X.S.; Wang, F.Z.; Jiang, S.S.","Structure determination and Rietveld refinement of Y0.8 Ca0.2 Ba1.8 La0.2 Cu3 Oy","Powder Diffraction","2001","16","","212","215","","","","","","","","","","","","","","","","","","","","","","has coordinates","148257","2020-10-21","18:00:00",""
"1527041","12.442","","12.442","","3.954","","90","","90","","90","","612.093","","","","","","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","Na (Na1.1 Ba0.9) (Cu0.1 Nb0.9) Nb4 O14.3","","- Ba0.9 Cu0.1 Na2.1 Nb4.9 O14.3 -","- Ba0.9 Cu0.1 Na2.1 Nb4.9 O14.295 -","- Ba1.8 Cu0.2 Na4.2 Nb9.8 O28.59 -","2","0.125","","Zhang, G.-K.; Ouyang, S.-X.; Fang, L.; Qin, L.-Q.; Zhang, Q.","Crystal structure of a new compound: Na2.1 Ba0.9 Cu0.1 Nb4.9 O14.3","Journal of Wuhan University of Technology","2001","16","","30","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","148330","2020-10-21","18:00:00",""
"1527206","9.41","","9.41","","18.64","","90","","90","","90","","1650.54","","","","","","","","","","","","","3","I -4 c 2","I -4 -2c","120","","(Mn2 O3)3 Mn Si O3","","- Mn7 O12 Si -","- Mn7 O12 Si -","- Mn56 O96 Si8 -","8","0.5","","Bystroem, A.; Mason, B.","The crystal structure of Braunite, (Mn2 O3)3 Mn Si O3","Arkiv foer Kemi, Mineralogi och Geologi, B","1943","16","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528084","18.5","","6.8","","6.858","","87.88","","91.52","","94.55","","859.188","","","","","","","","","","","","","3","P 1","P 1","1","","Gd2 (Ge2 O7)","","- Gd2 Ge2 O7 -","- Gd2 Ge2 O7 -","- Gd12 Ge12 O42 -","6","6","","Smolin, Yu.I.; Butikova, I.K.; Shepelev, Yu.F.","Determination of the crystal structure of Gd2 Ge2 O7","Kristallografiya","1971","16","","911","917","","","","","","","","","","","","","","","","","","","","","","has coordinates","149970","2020-10-21","18:00:00",""
"1529036","4.021","","4.021","","5.027","","90","","90","","120","","70.389","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Fe1.67 Ge -","- Fe1.665 Ge -","- Fe3.33 Ge2 -","2","0.0833333","","Yasukochi, K.; Kanematsu, K.; Ohoyama, T.","Magnetic Properties of Intermetallic Compounds in Iron-Germanium System, Fe1.67 Ge and Fe Ge2","Journal of the Physical Society of Japan","1961","16","","429","433","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1529773","10.355","","10.355","","10.355","","90","","90","","90","","1110.32","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Cu0.10 In0.10 Sn0.90 S2","","- Cu0.1 In0.1 S2 Sn0.9 -","- Cu0.1 In0.1 S2 Sn0.9 -","- Cu1.6 In1.6 S32 Sn14.4 -","16","0.0833333","","Colombet, P.; Danot, M.; Rouxel, J.","Les systemes pseudo-binaires Ag In S2-Sn S2 et Cu In S2-Sn S2 les spinelles Agx Inx Sn1-x S2 et Cux Inx Sn1-x S2","Revue de Chimie Minerale","1979","16","","179","188","","","","","","","","","","","","","","","","","","","","","","has coordinates","154392","2020-10-21","18:00:00",""
"1529794","3.81","","3.81","","3.88","","90","","90","","90","","56.322","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Li Cl (D2 O)","","- Cl D2 Li O -","- Cl D2 Li O -","- Cl D2 Li O -","1","0.0625","","Datt, I.D.; Rannev, N.V.; Kuznets, V.M.; Ozerov, R.P.","The study of the crystal structure of the crystalline hydrates of salts of lithium. the study of the water molecule state in the lithium chloride hydrate Li Cl D2 O by neutron diffraction and nuclear magnetic resonance","Kristallografiya","1971","16","","631","634","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529903","4.022","","4.022","","8.031","","90","","90","","90","","129.913","","","","","","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Nd S2 -","- Nd S2 -","- Nd2 S4 -","2","0.125","","Eliseev, A.A.; Uspenskaya, S.I.; Fedorov, A.A.","About the crystal structure of neodymium disulfide","Zhurnal Neorganicheskoi Khimii","1971","16","","1485","1488","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530007","16.15","","6.252","","6.298","","90","","90","","90","","635.908","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","K H3 (Se O3)2","","- H3 K O6 Se2 -","- K O6 Se2 -","- K4 O24 Se8 -","4","0.5","","Gorbatyii, L.V.; Ponomarev, V.I.; Heiker, D.M.","About the crystal structures of the trihydroselenates of potassium K H3 (Se O3)2 and of sodium Na H3 (Se O3)2","Kristallografiya","1971","16","","899","904","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530051","5.427","","5.427","","10.871","","90","","90","","90","","320.176","","","","","","","","","","","","","5","I -4","I -4","82","","Cu1.98 (Zn0.72 Fe0.28) Sn0.99 S4","","- Cu1.98 Fe0.28 S4 Sn0.99 Zn0.72 -","- Cu1.98 Fe0.28 S4 Sn0.99 Zn0.72 -","- Cu3.96 Fe0.56 S8 Sn1.98 Zn1.44 -","2","0.25","","Hall, S.R.; Szymanski, J.T.; Stewart, J.M.","Kesterite, Cu2 (Zn, Fe) Sn S4, and stannite, Cu2 (Fe, Zn) Sn S4, structurally similar but distinct minerals","Canadian Mineralogist","1978","16","","131","137","","","","","","","","","","","","","","","","","","","","","","has coordinates","155014","2020-10-21","18:00:00",""
"1530075","9.923","","18.134","","5.352","","90","","104.84","","90","","930.936","","","","","","","","","","","","","9","C 1 2/m 1","-C 2y","12","","Na2.09 Ca1.178 Mn.032 Mg.92 Fe4.07 (Si6.2 Al1.8 O20.7) (O H)3.3","","- Al1.8 Ca1.178 Fe4.07 H3.3 Mg0.92 Mn0.032 Na2.09 O24 Si6.2 -","- Al1.8 Ca1.178 Fe4.075 Mg0.925 Mn0.032 Na2.09 O24 Si6.2 -","- Al3.6 Ca2.356 Fe8.15 Mg1.85 Mn0.064 Na4.18 O48 Si12.4 -","2","0.25","","Hawthorne, F.C.; Grungy, H.D.","The crystal chemistry of the amphiboles. VII. The crystal structure and site chemistry of potassium ferri-taramite","Canadian Mineralogist","1978","16","","53","62","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530307","11.147","","11.407","","11.974","","90","","101.3","","90","","1493.03","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Al (B H4)3 N H3","","- Al B3 H15 N -","- Al B3 H14.5 N -","- Al8 B24 H116 N8 -","8","2","","Lobkovskii, E.B.; Polyakova, V.B.; Shilkin, S.P.; Semenenko, K.N.","Structure and oscillation spectrums of aluminium borohydride monoammi","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1975","16","","77","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530332","7.51","","7.24","","6.95","","92","","112","","82.5","","347.334","","","","","","","","","","","","","3","P -1","-P 1","2","","","","- K2 Mo2 O7 -","- K2 Mo2 O7 -","- K4 Mo4 O14 -","2","1","","Magarill, S.A.; Klevtsova, R.F.","The crystal structure of potassium bimolybdate K2 Mo2 O7","Kristallografiya","1971","16","","742","745","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530403","13.27","","13.91","","9.73","","90","","90","","90","","1796.02","","","","","","","","","","","","","7","C c m 21","C 2c -2c","36","","Y4 (Ca.75 La.25)4 (O H) (H2 O)5 (Si8 O20) (C O3)6 (H2 O)2","","- C6 H15 Ca3 La O46 Si8 Y4 -","- C6 Ca3 La O46 Si8 Y4 -","- C12 Ca6 La2 O92 Si16 Y8 -","2","0.25","","Mellini, M.; Merlino, S.","Caysichite. A double crankshaft chain structure","Canadian Mineralogist","1978","16","","81","88","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530417","10.53","","10.53","","10.599","","90","","90","","90","","1175.23","","","","","","","","","","","","","4","P 4/n b m :1","P 4 2 -1ab","125","","Rb2 Na Tm Cl6","","- Cl6 Na Rb2 Tm -","- Cl6 Na Rb2 Tm -","- Cl24 Na4 Rb8 Tm4 -","4","0.25","","Meyer, G.; Dietzel, E.","Zur Struktursystematik der Elpasolith-Familie (I). Neue Chloride A(I)2 B(I) M(III) Cl6 (A(I) = Rb, Tl, In, K, B(I) = Li, Ag, Na)","Revue de Chimie Minerale","1979","16","","189","202","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530421","9.959","","9.806","","6.415","","90","","104.83","","90","","605.608","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Cs2 (U O2 Br4)","","- Br4 Cs2 O2 U -","- Br4 Cs2 O2 U -","- Br8 Cs4 O4 U2 -","2","0.5","","Mikhailov, Yu.N.; Kuznetsov, V.G.","The crystal structure of cesium tetrabromouranate Cs2 (U O2 Br4)","Zhurnal Neorganicheskoi Khimii","1971","16","","2512","2516","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530435","16.541","","20.467","","6.431","","90","","90","","90","","2177.18","","","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","(N H4)2 Te3 O8 (O H)4","","- H12 N2 O12 Te3 -","- H4 N2 O12 Te3 -","- H32 N16 O96 Te24 -","8","0.5","","Moret, J.; Philippot, E.; Maurin, M.","Etude du ternaire N H3-Te O3-H2 O. Synthese et etude cristallochimique de (N H4)2 Te3 O8 (O H)4","Revue de Chimie Minerale","1979","16","","39","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","155539","2020-10-21","18:00:00",""
"1530625","10.52","","10.52","","14.22","","90","","90","","120","","1362.89","","","","","","","","","","","","","5","P 6 c c","P 6 -2c","184","","K Zn3 Mn2 Si12 O30","","- K Mn2 O30 Si12 Zn3 -","- K Mn2 O30 Si12 Zn3 -","- K2 Mn4 O60 Si24 Zn6 -","2","0.166667","","Pushcharovskii, D.Yu.; Pobedimskaya, E.A.; Naatarin, T.; Belov, N.V.","About the crystal structure of the Zn-analogue of mylarite","Kristallografiya","1971","16","","721","724","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530806","7.992","","11.424","","13.407","","90","","90","","90","","1224.07","","","","","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","(K2 B12 H10 F2) (H2 O)","","- B12 F2 H12 K2 O -","- B12 F2 H10 K2 O -","- B48 F8 H40 K8 O4 -","4","0.5","","Solntsev, K.A.; Zukova, N.A.; Butman, L.A.; Kuznetsov, N.T.","Structure and properties of (K2 B12 H10 F2) (H2 O)","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1980","16","","1882","1884","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530856","5.487","","5.487","","10.848","","90","","90","","90","","326.603","","","","","","","","","","","","","6","I -4 2 m","I -4 2","121","","Cu2 (Cd0.37 Zn0.33 Fe0.29) Sn S4","","- Cd0.37 Cu2 Fe0.29 S4 Sn Zn0.33 -","- Cd0.37 Cu2 Fe0.29 S4 Sn Zn0.33 -","- Cd0.74 Cu4 Fe0.58 S8 Sn2 Zn0.66 -","2","0.125","","Szymanski, J.T.","The crystal structure of cernyite, Cu2 Cd Sn S4, a cadmium analogue of Stannite","Canadian Mineralogist","1978","16","","147","151","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530936","10.85","","10.85","","10.85","","90","","90","","90","","1277.29","","","","","","","","","","","","","3","F m -3","-F 2 2 3","202","","Rb2 B12 H12","","- B12 H12 Rb2 -","- B12 H12 Rb2 -","- B48 H48 Rb8 -","4","0.0416667","","Uspenskaya, S.I.; Solntsev, K.A.; Kuznetsov, N.T.","X-ray study of rubidium dodecahydrocloso dodecaborate","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1975","16","","482","484","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533341","12.524","","12.524","","12.524","","90","","90","","90","","1964.4","","","","","","","","","","","","","7","I a -3 d","-I 4bd 2c 3","230","","Y1.6 Bi1.0 Ca.4 In.2 V.2 Fe4.4 O12","","- Bi Ca0.4 Fe4.4 In0.2 O12 V0.2 Y1.6 -","- Bi0.99 Ca0.39 Fe4.39 In0.2 O12 V0.21 Y1.59 -","- Bi7.92 Ca3.12 Fe35.12 In1.6 O96 V1.68 Y12.72 -","8","0.0833333","","Chatterjee, S.N.; Kishan, P.; Laroia, K.K.","Cation Distribution in Substituted Garnet Y1.6 Bi1.0 Ca.4 Fe4.4 In.4 V.2 O12","Indian Journal for Pure and Applied Physics","1978","16","","777","779","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533532","5.871","","5.099","","8.239","","90","","90","","90","","246.645","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(La0.8 Al0.2) (B O3)","","- Al0.2 B La0.8 O3 -","- Al0.2 B La0.8 O3 -","- Al0.8 B4 La3.2 O12 -","4","0.5","","Simon, S.; Djurado, D.; Borodi, G.; Pop, M.","Structural studies of aluminum-doped lanthanum borates","Modern Physics Letters B","2002","16","","915","921","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534187","4.33","","4.33","","4.33","","90","","90","","90","","81.183","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","Ba0.89 Bi0.73 Bi0.38 O2.93","","- Ba0.89 Bi1.11 O2.93 -","- Ba0.89 Bi1.11 O2.94 -","- Ba0.89 Bi1.11 O2.94 -","1","0.0625","","Aurivillius, B.","An X-ray investigation of the systems Ca O - Bi2 O3, Sr O - Bi2 O3, and Ba O - Bi2 O3 - O. (Mixed oxides with a defect oxygen lattice)","Arkiv foer Kemi, Mineralogi och Geologi, A","1943","16","","1","13","","","","","","","","","","","","","","","","","","","","","","has coordinates","160698","2020-10-21","18:00:00",""
"1534188","4.35","","4.35","","4.49","","90","","90","","90","","84.962","","","","","","","","","","","","","3","P -4 m 2","P -4 -2","115","","Ba.726 Bi1.261 O2.65","","- Ba0.726 Bi1.261 O2.65 -","- Ba0.726 Bi1.274 O2.649 -","- Ba0.726 Bi1.274 O2.649 -","1","0.125","","Aurivillius, B.","An X-ray investigation of the systems Ca O - Bi2 O3, Sr O - Bi2 O3, and Ba O - Bi2 O3 - O. (Mixed oxides with a defect oxygen lattice)","Arkiv foer Kemi, Mineralogi och Geologi, A","1943","16","","1","13","","","","","","","","","","","","","","","","","","","","","","has coordinates","160699","2020-10-21","18:00:00",""
"1534519","24.225","","21.323","","10.982","","90","","90","","95.36","","5647.94","","","","","","","","","","","","","5","C 1 2/c 1 (-a,a+c,b)","-C 2yc (-x+z,z,y)","15","","H2 (Nd2 (H2 O)12 U Mo12 O42) (H2 O)12","","- H50 Mo12 Nd2 O66 U -","- Mo12 Nd2 O66 U -","- Mo48 Nd8 O264 U4 -","4","","","Samohvalova, E.P.; Molchanov, V.N.; Torchenkova, E.A.; Tat'yanina, I.V.","Crystal structure of H2 Nd2(H2O)12UMo12O42 12H2O","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1990","16","","1277","1282","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534523","12","","12.23","","13.001","","60.06","","117.75","","114.63","","1420.32","","","","","","","","","","","","","4","P -1","-P 1","2","","(N H4)2 (Sc2 U Mo12 O42) (H2 O)26","","- Mo12 O68 Sc2 U -","- H52 Mo12 O68 Sc2 U -","- H52 Mo12 O68 Sc2 U -","1","0.5","","Samohvalova, E. P.; Molchanov, V. N.; Tat'yanina, I. V.; Torchenkova, E. A.","Crystal structure of (N H4)2 (Sc2 U Mo12 O42) * 26(H2 O)","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1990","16","","207","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","189246","2020-10-21","18:00:00",""
"1534598","4.1925","","4.1925","","21.689","","90","","90","","90","","381.229","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Ba3 In2 O6 -","- Ba3 In2 O6 -","- Ba6 In4 O12 -","2","0.0625","","Antipov, E.V.; Lykova, L.N.; Kovba, L.M.","Crystal structure of Ba3In2O6","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1990","16","","770","772","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534795","8.987","","5.613","","7.262","","90","","90","","90","","366.325","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","K (Ga D4)","","- D4 Ga K -","- D4 Ga K -","- D16 Ga4 K4 -","4","0.5","","Bakum, S.I.; Kuznetsova, S.F.; Irodova, A.V.; Somenkov, V.A.; Lyakhovitskaya, O.I.; Nozik, Yu.Z.","Crystal structure of K Ga D4","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1990","16","","1210","1214","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534799","13.292","","9.477","","13.137","","90","","104.12","","90","","1604.85","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","K (U O2) (O H) (Cr O4) (H2 O)1.5","","- Cr H4 K O8.5 U -","- Cr H K O8.5 U -","- Cr8 H8 K8 O68 U8 -","8","2","","Serezhkina, L.B.; Trunov, V.K.; Kholodkovskaya, L.N.; Kuchumova, N.V.","Crystal structure of K U O2 Cr O4 (O H) * 1.5(H2 O)","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1990","16","","1288","1291","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534800","8.9948","","5.6408","","7.263","","90","","90","","90","","368.509","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K Ga H2.56 D1.44","","- D1.44 Ga H2.56 K -","- Ga K -","- Ga4 K4 -","4","0.5","","Bakum, S.I.; Somenkov, V.A.; Irodova, A.V.; Kuznetsova, S.F.; Lyakhovitskaya, O.I.; Nozik, Yu.Z.","Crystal structure of KGaD4","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1990","16","","1210","1214","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534843","5.648","","5.648","","5.648","","90","","90","","90","","180.171","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Bi2 O3 -","- Bi2 O3 -","- Bi4 O6 -","2","0.0104167","","Battle, P.D.; Catlow, C.R.A.; Drennan, J.; Murray, A.D.","The structural properties of the oxygen conducting delta phase of Bi2 O3","Journal of Physics C","1983","16","","561","566","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534847","5.478","","5.478","","5.478","","90","","90","","90","","164.386","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Bi2 O3)0.73 (Y2 O3)0.27","","- Bi1.46 O3 Y0.54 -","- Bi1.4604 O3.0012 Y0.54 -","- Bi2.9208 O6.0024 Y1.08 -","2","0.0104167","","Battle, P.D.; Catlow, C.R.A.; Drennan, J.; Murray, A.D.","The structural properties of the oxygen conducting delta phase of Bi2 O3","Journal of Physics C","1983","16","","561","566","","","","","","","","","","","","","","","","","","","","","","has coordinates","161886","2020-10-21","18:00:00",""
"1534905","8.219","","10.372","","13.277","","90","","90","","90","","1131.83","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Li Na Mo O4 (H2 O)2","","- H4 Li Mo Na O6 -","- H4 Li Mo Na O6 -","- H32 Li8 Mo8 Na8 O48 -","8","1","","Makitova, D.D.; Tkachev, V.V.; Atovmyan, L.O.","Crystal structure of dihydrate lithium-sodium molybdate LiNaMoO4*2H2O","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1990","16","","616","618","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534909","7.865","","10.883","","12.956","","90","","90","","90","","1108.97","","","","","","","","","","","","","5","P c a b","-P 2bc 2ac","61","","Li (N H4) (Mo O4) H2 O","","- H6 Li Mo N O5 -","- H6 Li Mo N O5 -","- H48 Li8 Mo8 N8 O40 -","8","1","","Makitova, D.D.; Tkachev, V.V.; Atovmyan, L.O.","Crystal structure of monohydrate lithiumammonium molybdate LiNH4MoO4*H2O","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1990","16","","793","795","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535338","9.127","","11.46","","3.584","","90","","90","","90","","374.87","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Al Yb2 B6","","- Al B6 Yb2 -","- Al B6 Yb2 -","- Al4 B24 Yb8 -","4","0.5","","Mikhalenko, S.I.; Kuz'ma, Yu.B.; Korsukova, M.M.; Gurin, V.N.","Ternary borides containing rare earth metals and aluminum with structures of Y Cr B4 and Y2 Re B6 types","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1980","16","","1941","1944","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535342","5.906","","11.44","","3.48","","90","","90","","90","","235.125","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Al Lu B4","","- Al B4 Lu -","- Al B4 Lu -","- Al4 B16 Lu4 -","4","0.5","","Mikhalenko, S.I.; Kuz'ma, Yu.B.; Korsukova, M.M.; Gurin, V.N.","Ternary borides containing rare earth metals and aluminum with structures of Y Cr B4 and Y2 Re B6 types","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1980","16","","1941","1944","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535823","5.096","","10.554","","12.218","","90","","90","","90","","657.123","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","C (N H2)3 Sb F4","","- C H6 F4 N3 Sb -","- C H6 F4 N3 Sb -","- C4 H24 F16 N12 Sb4 -","4","1","","Udovenko, A.A.; Davidovich, R.L.; Ivanov, S.B.; Antipin, M.Yu.; Struchkov, Yu.T.","Crystal structure of tetrafluoroantimonate(III) guanidinium at 297 and 153 K","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1990","16","","448","452","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536271","8.278","","8.699","","6.99","","90","","90","","93.47","","502.429","","","","","","","","","","","","","5","P 1 1 21/b","-P 2bc","14","","Sb F (Se O4) (H2 O)","","- F H2 O5 Sb Se -","- F O5 Sb Se -","- F4 O20 Sb4 Se4 -","4","1","","Davidovich, R.L.; Zemnukhova, L.A.; Fedorishcheva, G.A.; Udovenko, A.A.; Eiberman, M.F.","Synthesis and investigation of thio- and selenofluoride of antimony(III)","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1990","16","","926","929","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536274","10.577","","9.406","","7.356","","90","","90","","103.39","","711.935","","","","","","","","","","","","","6","P 1 1 21/b","-P 2bc","14","","Cs (H2 P O4) (Sb F3)","","- Cs F3 H2 O4 P Sb -","- Cs F3 O4 P Sb -","- Cs4 F12 O16 P4 Sb4 -","4","1","","Davidovich, R.L.; Fedorishcheva, G.A.; Zemnukhova, L.A.; Ivanov, S.B.; Kaidalova, T.A.","Phosphate-fluoride complex compounds of antimony(III)","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1990","16","","177","184","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536802","4.1062","","4.1062","","7.2264","","90","","90","","90","","121.843","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Pb Cl F","","- Cl F Pb -","- Cl F Pb -","- Cl2 F2 Pb2 -","2","0.125","","Kodama, N.; Tanaka, K.; Utsunomiya, T.; Marumo, F.; Hoshino, Y.","Anharmonic thermal vibrations in lead chloride fluoride (Pb Cl F), an ionic conductor.","Kobutsugaku Zasshi (= Journal of the Mineralogical Society of Japan)","1984","16","","309","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1536900","6.245","","6.298","","7.838","","105.39","","65.15","","108.63","","261.975","","","","","","","","","","","","","4","P 1","P 1","1","","Sr (Zn (O H)4) H2 O","","- H6 O5 Sr Zn -","- O5 Sr Zn -","- O5 Sr Zn -","1","1","","Zaitsev, B.E.; Ivanov-Emin, B.N.; Petrishcheva, L.P.; Il'inets, A.M.; Baturin, N.A.; Regel', L.L.","IK spectrum of sodium and alkali-earth metals hydroxozincates and crystal structure of SrZn(OH)4 H2O","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1990","16","","1255","1259","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537441","10","","10","","6.3","","90","","90","","120","","545.596","","","","","","","","","","","","","3","P 3 2 1","P 3 2""","150","","Rb2 (S2 O6)","","- O6 Rb2 S2 -","- O6 Rb2 S2 -","- O18 Rb6 S6 -","3","0.5","","Huggins, M.L.; Frank, G.O.","The crystal structure of potassium dithionate, K2 S2 O6","American Mineralogist","1931","16","","580","591","","","","","","","","","","","","","","","","","","","","","","has coordinates","165588","2020-10-21","18:00:00",""
"1537572","9.131","","9.131","","15.357","","90","","90","","120","","1108.85","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","(H Si O1.5)8","","- H8 O12 Si8 -","- H8 O12 Si8 -","- H24 O36 Si24 -","3","0.166667","","Larsson, K.","The crystal structure of octa-(silsesquioxane) (H Si O1.5) 8","Arkiv foer Kemi","1960","16","","215","219","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1538076","6.0603","","6.0603","","6.0603","","90","","90","","90","","222.578","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","(Pb3.568 Sn0.432) (S1.36 Se2.64)","","- Pb3.568 S1.36 Se2.64 Sn0.432 -","- Pb3.568 S1.36 Se2.64 Sn0.432 -","- Pb3.568 S1.36 Se2.64 Sn0.432 -","1","0.00520833","","Gerasim, V.I.; Zayachuk, D.M.; Matulenis, E.L.; Chornei, S.A.","Lead tin sulfide selenide","Soviet Technical Physics Letters (orig.: Pis'ma v Zhurnal Tekhnicheskoi Fizika)","1990","16","","893","893","","","","","","","","","","","","","","","","","","","","","","has coordinates","166490","2020-10-21","18:00:00",""
"1538081","3.976","","3.976","","3.976","","90","","90","","90","","62.855","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pd3 Sn -","- Pd3 Sn -","- Pd3 Sn -","1","0.0208333","","Harris, I.R.; Cordey-Hayes, M.","A study of some palladium-tin, silver-tin and palladium-silver-tin alloys","Journal of the Less-Common Metals","1968","16","","223","232","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538129","4.74","","4.74","","3.76","","90","","90","","120","","73.16","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Ni5 Sc -","- Ni5 Sc -","- Ni5 Sc -","1","0.0416667","","Goebel, J.A.; Rosen, S.","Phase equilibria in the nickel-aluminium-scandium system at 1000 degree","Journal of the Less-Common Metals","1968","16","","441","446","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538220","6.068","","6.068","","6.068","","90","","90","","90","","223.428","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- In Mn Ni2 -","- In Mn Ni2 -","- In4 Mn4 Ni8 -","4","0.0208333","","Iha, S.; Seyoum, H.M.; Demarco, M.; Vasquez, A.; Stubbs, D.A.; Blue, J.W.; Julian, G.M.; Silva, M.T.X.","Site and probe dependence on hyperfine magnetic field in Heusler alloys X2 Mn Z (X= Ni, Cu, Rh, Pd, and Z= Ga, Ge, In, Sn, Pb)","Hyperfine Interactions","1983","16","","685","688","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538222","6","","6","","6","","90","","90","","90","","216","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Mn Ni2 Sb -","- Mn Ni2 Sb -","- Mn4 Ni8 Sb4 -","4","0.0208333","","Iha, S.; Vasquez, A.; Seyoum, H.M.; Demarco, M.; Julian, G.M.; Silva, M.T.X.; Stubbs, D.A.; Blue, J.W.","Site and probe dependence on hyperfine magnetic field in Heusler alloys X2 Mn Z (X= Ni, Cu, Rh, Pd, and Z= Ga, Ge, In, Sn, Pb)","Hyperfine Interactions","1983","16","","685","688","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538225","6.424","","6.424","","6.424","","90","","90","","90","","265.104","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Mn Pd2 Sb -","- Mn Pd2 Sb -","- Mn4 Pd8 Sb4 -","4","0.0208333","","Iha, S.; Seyoum, H.M.; Demarco, M.; Stubbs, D.A.; Julian, G.M.; Vasquez, A.; Blue, J.W.; Silva, M.T.X.","Site and probe dependence on hyperfine magnetic field in Heusler alloys X2 Mn Z (X= Ni, Cu, Rh, Pd, and Z= Ga, Ge, In, Sn, Pb)","Hyperfine Interactions","1983","16","","685","688","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538414","10.23","","7.05","","6.57","","90","","122.17","","90","","401.091","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Ni Cl2 (H2 O)6","","- Cl2 H12 Ni O6 -","- Cl2 H12 Ni O6 -","- Cl4 H24 Ni2 O12 -","2","0.25","","Mizuno, J.","The crystal structure of nickel chloride hexahydrate, Ni Cl2 (H2 O)6","Journal of the Physical Society of Japan","1961","16","","1574","1580","","","","","","","","","","","","","","","","","","","","","","has coordinates","206249","2020-10-21","18:00:00",""
"1538683","8.56","","8.56","","8.56","","90","","90","","90","","627.222","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","Sm3 S4","","- S4 Sm3 -","- S4 Sm3 -","- S16 Sm12 -","4","0.0833333","","Naboka, M.N.; Terescenko, L.D.","Formation and structure of thin films of samarium sulfides","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1981","16","","806","809","","","","","","","","","","","","","","","","","","","","","","has coordinates","167359","2020-10-21","18:00:00",""
"1538714","7.12","","7.12","","7.12","","90","","90","","90","","360.944","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ni2 Y -","- Ni2 Y -","- Ni16 Y8 -","8","0.0416667","","Nassau, K.; Cherry, L.V.; Wallace, W.E.","Intermetallic compounds between lanthanons and transition metals of the first long period I - Preparation, existence and structural studies","Journal of Physics and Chemistry of Solids","1960","16","","123","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538717","4.85","","4.85","","3.93","","90","","90","","120","","80.058","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Ni5 Y -","- Ni5 Y -","- Ni5 Y -","1","0.0416667","","Nassau, K.; Wallace, W.E.; Cherry, L.V.","Intermetallic compounds between lanthanons and transition metals of the first long period I - Preparation, existence and structural studies","Journal of Physics and Chemistry of Solids","1960","16","","123","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538720","4.88","","4.88","","3.96","","90","","90","","120","","81.671","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Ho Ni5 -","- Ho Ni5 -","- Ho Ni5 -","1","0.0416667","","Nassau, K.; Cherry, L.V.; Wallace, W.E.","Intermetallic compounds between lanthanons and transition metals of the first long period I - Preparation, existence and structural studies","Journal of Physics and Chemistry of Solids","1960","16","","123","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538723","7.62","","7.62","","7.62","","90","","90","","90","","442.451","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Mn2 Y -","- Mn2 Y -","- Mn16 Y8 -","8","0.0416667","","Nassau, K.; Cherry, L.V.; Wallace, W.E.","Intermetallic compounds between lanthanons and transition metals of the first long period I - Preparation, existence and structural studies","Journal of Physics and Chemistry of Solids","1960","16","","123","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538725","4.115","","4.115","","6.264","","90","","90","","120","","91.859","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Ti Sb","","- Sb Ti -","- Sb Ti -","- Sb2 Ti2 -","2","0.0833333","","Kjekshus, A.; Gronvold, F.; Thorbjornsen, J.","On the phase relationships in the titanium-antimony system. The crystal structure of Ti3 Sb","Acta Chemica Scandinavica (1-27,1973-42,1988)","1962","16","","1493","1510","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538929","5.319","","5.319","","6.662","","90","","90","","120","","163.228","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ho2 In -","- Ho2 In -","- Ho4 In2 -","2","0.0833333","","Palenzona, A.","The crystal structure and lattice constants of R.E.2In and some R.E.5In3 compounds","Journal of the Less-Common Metals","1968","16","","379","384","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538931","5.534","","5.534","","6.893","","90","","90","","120","","182.817","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- In Pr2 -","- In Pr2 -","- In2 Pr4 -","2","0.0833333","","Palenzona, A.","The crystal structure and lattice constants of R.E.2In and some R.E.5In3 compounds","Journal of the Less-Common Metals","1968","16","","379","384","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538933","5.274","","5.274","","6.621","","90","","90","","120","","159.49","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- In Tm2 -","- In Tm2 -","- In2 Tm4 -","2","0.0833333","","Palenzona, A.","The crystal structure and lattice constants of R.E.2In and some R.E.5In3 compounds","Journal of the Less-Common Metals","1968","16","","379","384","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538934","4.489","","4.489","","3.09","","90","","90","","90","","62.267","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","Rh O2","","- O2 Rh -","- O2 Rh -","- O4 Rh2 -","2","0.125","","Muller, Olaf; Roy, Rustum","Formation and stability of the platinum and rhodium oxides at high oxygen pressures and the structures of Pt~3~O~4~, β-PtO~2~ and RhO~2~","Journal of the Less-Common Metals","1968","16","2","129","146","10.1016/0022-5088(68)90070-2","","","","","","","","","","","","","","","","","","","","","has coordinates","200135","2020-10-21","18:00:00",""
"1538935","3.828","","3.828","","3.828","","90","","90","","90","","56.094","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- In Yb -","- In Yb -","- In Yb -","1","0.0208333","","Palenzona, A.","The crystal structure and lattice constants of R.E.2In and some R.E.5In3 compounds","Journal of the Less-Common Metals","1968","16","","379","384","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539073","6.074","","6.074","","3.454","","90","","90","","120","","110.358","","","","","","","","","","","","","2","P -6 2 m","P -6 -2","189","","","","- Mn2 P -","- Mn2 P -","- Mn6 P3 -","3","0.25","","Rundqvist, S.","X-ray investigations of Mn3 P, Mn2 P, and Ni2 P","Acta Chemica Scandinavica (1-27,1973-42,1988)","1962","16","","992","998","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539161","8.543","","8.543","","8.543","","90","","90","","90","","623.492","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","Sm3 S4","","- S4 Sm3 -","- S4 Sm3 -","- S16 Sm12 -","4","0.0833333","","Sato, M.; Adachi, G.Y.; Niki, K.; Shiokawa, J.","Electrical and magnetic properties of rare-earth sulfides, (Sm1-x Gdx)3 S4","Materials Research Bulletin","1981","16","","975","984","","","","","","","","","","","","","","","","","","","","","","has coordinates","167988","2020-10-21","18:00:00",""
"1539300","6.424","","6.424","","6.424","","90","","90","","90","","265.104","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Mn Pd1.6 Sb1.4 -","- Mn Pd1.6 Sb1.4 -","- Mn4 Pd6.4 Sb5.6 -","4","0.0208333","","Webster, P.J.; Tebble, R.S.","The magnetic and chemical ordering of the Heusler alloys Pd2 Mn In, Pd2 Mn Sn and Pd2 Mn Sb","Philosophical Magazine, Serie 6 (1901-1925)","1967","16","","347","361","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539348","6.48","","6.48","","6.48","","90","","90","","90","","272.098","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Hg Te -","- Hg Te -","- Hg4 Te4 -","4","0.0416667","","Woolley, J.C.; Ray, B.","Effects of solid solution of Ga2 Te3 with AIIBVI tellurides","Journal of Physics and Chemistry of Solids","1960","16","","102","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539670","11.745","","14.96","","10.831","","95.67","","116.19","","98.19","","1662.03","","","","","","","","","","","","","4","P -1","-P 1","2","","Nb2 (Se2)2 (Te I3)4","","- I12 Nb2 Se4 Te4 -","- I12 Nb2 Se4 Te4 -","- I24 Nb4 Se8 Te8 -","2","1","","Fedin, V.P.; Fedorov, V.E.; Imoto, H.; Daito, T.","Synthesis and structure of Nb2 (mue-Se2)2 (Te2 I6)2","Polyhedron","1997","16","","995","998","","","","","","","","","","","","","","","","","","","","","","has coordinates","168655","2020-10-21","18:00:00",""
"1539736","3.532","","3.532","","3.532","","90","","90","","90","","44.062","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- U -","- U -","- U2 -","2","0.0208333","","Besson, J.; Blum, P.L.; Laugier, J.","Sur l'existence d'une transformation directe ? ? dans l'uranium disperse dans un milieu inerte","Journal of Nuclear Materials","1965","16","","74","75","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539811","3.85","","3.85","","24.68","","90","","90","","120","","316.809","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","In2 (Zn S4)","","- In2 S4 Zn -","- In2 S4 Zn -","- In4 S8 Zn2 -","2","0.166667","","Donika, F.G.; Semiletov, S.A.; Radautsan, S.I.; Mustya, I.G.; Donika, T.V.; Kiosse, G.A.","Crystal structure of the double-pack polytype Zn In2 S4 (II)a, and more careful determination of the structure of the triple-pack polytype Zn In2 S4 (III)a","Soviet Physics, Crystallography (= Kristallografiya)","1971","16","","190","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540202","10.9806","","10.9806","","10.9806","","90","","90","","90","","1323.97","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cu5 Fe S4 -","- Cu5.0008 Fe0.9996 S4 -","- Cu40.0064 Fe7.9968 S32 -","8","0.0416667","","Kanazawa, Y.; Koto, K.; Morimoto, N.","Bornite Cu5 Fe S4. Stability and crystal structure of the intermediate form","Canadian Mineralogist","1978","16","","397","404","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540818","8.42","","11.84","","3.94","","93.4","","92.5","","89.9","","391.725","","","","","","","","","","","","","2","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","Ca C2","","- C2 Ca -","- C2 Ca -","- C16 Ca8 -","8","","","Vannerberg, N.","The crystal structure of calcium carbide II and IV","Acta Chemica Scandinavica (1-27,1973-42,1988)","1962","16","","1212","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541035","7.685","","7.376","","10.468","","90","","104.16","","90","","575.345","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Zn (H2 P O2)2 (H2 O)","","- H6 O5 P2 Zn -","- H6 O5 P2 Zn -","- H24 O20 P8 Zn4 -","4","1","","Tanner, P.A.; Mak, T.C.W.; Liu, Y.-L.","Synthesis, crystal structure and vibrational spectra of zinc hypophosphites","Polyhedron","1997","16","","495","505","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541199","8.92","","8.92","","12.63","","90","","90","","90","","1004.92","","","","","","","","","","","","","2","I -4","I -4","82","","Tl5 Te3","","- Te3 Tl5 -","- Te3 Tl5 -","- Te12 Tl20 -","4","0.5","","Man, L.I.; Imamov, R.M.; Pinsker, Z.G.","Crystal structure of thallium telluride, Tl5 Te3","Soviet Physics, Crystallography (= Kristallografiya)","1971","16","","94","98","","","","","","","","","","","","","","","","","","","","","","has coordinates","172469","2020-10-21","18:00:00",""
"1541473","8.45","","8.45","","8.45","","90","","90","","90","","603.351","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Ni Sc.15 Fe1.85 O4","","- Fe1.85 Ni O4 Sc0.15 -","- Fe1.85 Ni O4 Sc0.15 -","- Fe14.8 Ni8 O32 Sc1.2 -","8","0.0416667","","Kocharov, A.G.; Faek, M.K.; Yamzin, I.I.","Neutron-Diffraction Determination of the Oxygen Parameter and the Cation Distribution for the Ferrite Spinels Ni Sc.15 Fe1.85 O4 and Ni Sc.4 Fe1.6 O4","Kristallografiya","1971","16","","634","634","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541475","8.48","","8.48","","8.48","","90","","90","","90","","609.8","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Ni Sc.4 Fe1.6 O4","","- Fe1.6 Ni O4 Sc0.4 -","- Fe1.6 Ni O4 Sc0.4 -","- Fe12.8 Ni8 O32 Sc3.2 -","8","0.0416667","","Kocharov, A.G.; Yamzin, I.I.; Faek, M.K.","Neutron-Diffraction Determination of the Oxygen Parameter and the Cation Distribution for the Ferrite Spinels Ni Sc.15 Fe1.85 O4 and Ni Sc.4 Fe1.6 O4","Kristallografiya","1971","16","","634","634","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541569","14.252","","14.252","","30.01799","","90","","90","","120","","5280.36","","","","","","","","","","","","","8","R 3 m :H","R 3 -2""","160","","H6 Na12 Ca6 Fe3 Zr3 Si24 O72 Cl2","","- Ca6 Cl2 Fe3 H6 Na12 O72 Si24 Zr3 -","- Ca6 Cl2 Fe3 Na12 O72 Si24 Zr3 -","- Ca18 Cl6 Fe9 Na36 O216 Si72 Zr9 -","3","0.166667","","Golyshev, V.M.; Simonov, V.I.; Belov, N.V.","Crystal Structure of Eudialite","Kristallografiya","1971","16","","93","98","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541631","41.91","","9.572","","12.654","","90","","90","","90","","5076.31","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba15 Fe7 S25 -","- Ba15 Fe7 S25 -","- Ba60 Fe28 S100 -","4","0.5","","Lemley, J.T.; Jenks, J.; Hoggins, J.; Eliezer, Z.; Steinfink, H.","Ba15 Fe7 S25 and Ba3 Fe S5. Crystal structures, Moessbauer, magnetic and electrical behavior","Journal of Solid State Chemistry","1976","16","","117","128","","","","","","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1541654","5.081","","5.081","","5.081","","90","","90","","90","","131.174","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- D -","- D -","- D4 -","4","0.0208333","","Schuch, A.F.; Mills, R.L.","Crystal structure of deuterium at low temperatures","Physical Review Letters","1966","16","","616","618","","","","","","","","","","","","","","","","","","","","","","has coordinates","292204","2024-06-05","14:01:46",""
"1541677","4.618","","51.36","","2.953","","90","","90","","90","","700.394","","","","","","","","","","","","","3","A 21 a m","A -2 2a","36","","(Fe0.1482 Ti0.8882) O2","","- Fe0.1482 O2 Ti0.8882 -","- Fe0.148182 O2 Ti0.888182 -","- Fe3.26 O44 Ti19.54 -","22","2.75","","Bursill, L.; Grey, I.E.; Lloyd, D.J.","High-temperature rutile-derived crystallographic shear structures. I. (020)R C S structures","Journal of Solid State Chemistry","1976","16","","331","347","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1541809","14.194","","14.194","","9.934","","90","","90","","90","","2001.4","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Ba3 (Al3.25 Si5.75 O16.75) Cl2 (O H)3.25","","- Al3.24 Ba3 Cl2 O16 Si5.76 -","- Al3.24 Ba3 Cl2 O16 Si5.76 -","- Al12.96 Ba12 Cl8 O64 Si23.04 -","4","0.125","","Solov'eva, L.P.; Borisov, S.V.; Bakakin, V.V.","New skeletal structure in the crystal structure of barium chloroaluminosilicate Ba Al Si2 O6 (Cl, O H) — Ba2 (X) Ba Cl2 ((Si, Al)8 O16)","Kristallografiya","1971","16","","1179","1183","","","","","","","","","","","","","","","","","","","","","","has coordinates","173316","2020-10-21","18:00:00",""
"1541836","17.95","","5.28","","11.5","","90","","109","","90","","1030.54","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cd5 Si2 O8 (O H)2","","- Cd5 H2 O10 Si2 -","- Cd5 O10 Si2 -","- Cd20 O40 Si8 -","4","1","","Egorov-Tismenko, Yu.K.; Belov, N.V.; Deineko, I.P.; Simonov, M.A.","Crystal Structure of Cd Silicate Cd5 (Si O4)2 (O H)2 (Cd Chondrodite)","Kristallografiya","1971","16","","1174","1178","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541859","6.319","","6.319","","12.713","","90","","90","","120","","439.618","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- B31 Si11 -","- B30.96 Si11.04 -","- B30.96 Si11.04 -","1","0.0277778","","Magnusson, B.; Brosset, C.","The Crystal Structure of B2.89 Si","Acta Chemica Scandinavica (1-27,1973-42,1988)","1962","16","","449","455","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541872","9.799","","16.84","","7.199","","90","","93.37","","90","","1185.89","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Na4 Ba Ti2 B2 (Si O3)10","","- B2 Ba Na4 O30 Si10 Ti2 -","- B2 Ba Na4 O30 Si10 Ti2 -","- B4 Ba2 Na8 O60 Si20 Ti4 -","2","0.25","","Shumyatskaya, N.G.; Voronkov, A.A.; Belov, N.V.","X-ray diffraction study of leucosphenite","Kristallografiya","1971","16","","492","499","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541878","8.4545","","8.4545","","8.4545","","90","","90","","90","","604.316","","","","","","","","","","","","","2","I -4 3 m","I -4 2 3","217","","U2 F9","","- F9 U2 -","- F9 U2 -","- F36 U8 -","4","0.0833333","","Zachariasen, W.H.","The crystal structure of U2 F9","Journal of Chemical Physics","1948","16","","425","425","","","","","","","","","","","","","","","","","","","","","","has coordinates","173437","2020-10-21","18:00:00",""
"1541964","9.667","","5.731","","7.334","","90","","101.05","","101.31","","390.74","","","","","","","","","","","","","7","P -1","-P 1","2","","Na0.9 Ca2.6 Ti0.5 (Si2 O7) (O0.1 (O H)0.9) F","","- Ca2.6 F H0.9 Na0.9 O8 Si2 Ti0.5 -","- Ca2.6 F Na0.9 O8 Si2 Ti0.5 -","- Ca5.2 F2 Na1.8 O16 Si4 Ti -","2","1","","Cannillo, E.; Mazzi, F.; Rossi, G.","Crystal structure of goetzenite","Kristallografiya","1971","16","","1167","1173","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542053","16.38","","5.16","","11.74","","90","","93","","90","","990.914","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Na2 Ca3 (Si3 O10)","","- Ca3 Na2 O10 Si3 -","- Ca3 Na2 O10 Si3 -","- Ca12 Na8 O40 Si12 -","4","0.5","","Treushnikov, E.N.; Ilyukhin, V.V.; Belov, N.V.","Crystal structure of Na, Ca triorthosilicate, Na2 Ca3 (Si3 O10)","Kristallografiya","1971","16","","76","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","173983","2020-10-21","18:00:00",""
"1542133","12.405","","9.516","","8.5212","","90","","90","","90","","1005.89","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba3 Fe S5 -","- Ba3 Fe S5 -","- Ba12 Fe4 S20 -","4","0.5","","Lemley, J.T.; Jenks, J.; Eliezer, Z.; Hoggins, J.; Steinfink, H.","Ba15 Fe7 S25 and Ba3 Fe S5. Crystal structures, Moessbauer, magnetic and electrical behavior","Journal of Solid State Chemistry","1976","16","","117","128","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1542235","5.084","","5.084","","5.084","","90","","90","","90","","131.406","","","","","","","","","","","","","1","P a -3","-P 2ac 2ab 3","205","","","","- D -","- D -","- D4 -","4","0.166667","","Mucker, K.F.; White, D.; Talhouk, S.; Harris, P.M.","Crystal Structure of Para-enriched Solid Deuterium Below the lambda Transition","Physical Review Letters","1966","16","","799","801","","","","","","","","","","","","","","","","","","","","","","has coordinates","292204","2024-06-05","14:01:46",""
"1544664","11.46","0.006","20.95","0.03","5.944","0.002","90","","90","","90","","1427","2","","","","","","","","","","","","3","I b a 2","I 2 -2c","45","Ba4In6O13","","Ba4In6O13","- Ba4 In6 O13 -","- Ba4 In6 O13 -","- Ba16 In24 O52 -","4","0.5","","Yoshiasa, A.; Takeno, S.; Iishi, K.","Ba4In6O13: a compound with distorted square pyramidal InO5 coordination polyhedra","Mineralogical Journal","1992","16","","40","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","188680","2020-10-21","18:00:00",""
"1544665","5.1502","0.00006","5.1502","0.00006","13.8653","0.0004","90","","90","","120","","318.499","0.011","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","LiNbO3","","LiNbO3","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.333333","","Ohgaki, M.; Tanaka, K.; Marumo, F.","LiNbO3, with anharmonic thermal vibration model","Mineralogical Journal","1992","16","","150","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","203907","2020-10-21","18:00:00",""
"1544666","9.77","0.001","8.9395","0.0008","5.2451","0.0007","90","","105.72","0.009","90","","440.97","0.09","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Ca0.951Co0.563Mg0.486Si2O6","","diopside Co-containing","- Ca0.951 Co0.563 Mg0.486 O6 Si2 -","- Ca0.951 Co0.563 Mg0.486 O6 Si2 -","- Ca3.804 Co2.252 Mg1.944 O24 Si8 -","4","0.5","","Tabira, Y.; Ishizawa, N.; Marumo, F.","Cobalt atoms at M(2) site in C2/c clinopyroxenes of the system CaMgSi2O6 (Di)-CaCoSi2O6 (CaCoPx)","Mineralogical Journal","1992","16","","225","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","188682","2020-10-21","18:00:00",""
"1544667","9.753","0.001","8.9261","0.0008","5.2486","0.0007","90","","105.856","0.009","90","","439.54","0.09","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Ca0.970Co0.199Mg0.831Si2O6","","diopside Co-containing","- Ca0.97 Co0.199 Mg0.831 O6 Si2 -","- Ca0.97 Co0.199 Mg0.831 O6 Si2 -","- Ca3.88 Co0.796 Mg3.324 O24 Si8 -","4","0.5","","Tabira, Y.; Ishizawa, N.; Marumo, F.","Cobalt atoms at M(2) site in C2/c clinopyroxenes of the system CaMgSi2O6 (Di)-CaCoSi2O6 (CaCoPx)","Mineralogical Journal","1992","16","","225","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","188683","2020-10-21","18:00:00",""
"1549028","7.5979","0.0005","14.0001","0.001","19.629","0.0012","90","","90","","90","","2088","0.2","170.8","","170.8","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 Br2 O2 -","- C23 H26 Br2 O2 -","- C92 H104 Br8 O8 -","4","1","","Chang, Shirui; Wang, Lei; Lin, Xufeng","Synthesis and application of a new hexamethyl-1,1'-spirobiindane-based chiral bisphosphine (HMSI-PHOS) ligand in asymmetric allylic alkylation.","Organic & biomolecular chemistry","2018","16","13","2239","2247","10.1039/c8ob00279g","","","0.71073","MoKα","","0.0443","0.0354","","","0.0781","0.0832","","","","","","1.017","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549215","18.3692","0.0007","13.9179","0.0005","18.6682","0.0009","90","","107.269","0.005","90","","4557.6","0.3","101","2","101","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","dimethyl 2-tert-butyl-1-isopentyl-4-phenyl-2H-pyridine-5,6-dicarboxylate","","- C24 H33 N O4 -","- C24 H33 N O4 -","- C192 H264 N8 O32 -","8","2","","Shehzadi, Syeda Aaliya; Vande Velde, Christophe M. L.; Saeed, Aamer; Abbaspour Tehrani, Kourosch","Synthesis of highly functionalized 1,6-dihydropyridines via the Zn(OTf)<sub>2</sub>-catalyzed three-component cascade reaction of aldimines and two alkynes (IA<sup>2</sup>-coupling).","Organic & biomolecular chemistry","2018","16","17","3241","3247","10.1039/c8ob00195b","","x-ray","1.54184","CuKα","","0.0815","0.0543","","","0.1332","0.1524","","","","","","1.018","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549216","11.9792","0.0006","12.1131","0.0005","13.4962","0.0007","94.97","0.004","103.881","0.004","109.494","0.004","1762.21","0.16","99.96","0.1","99.96","0.1","","","","","","","","4","P -1","-P 1","2","","methyl-2-(tert-butyl)-4-phenyl-1-propyl-1,2 dihydropyridine-3-carboxylate'","","- C20 H27 N O2 -","- C20 H27 N O2 -","- C80 H108 N4 O8 -","4","2","","Shehzadi, Syeda Aaliya; Vande Velde, Christophe M. L.; Saeed, Aamer; Abbaspour Tehrani, Kourosch","Synthesis of highly functionalized 1,6-dihydropyridines via the Zn(OTf)<sub>2</sub>-catalyzed three-component cascade reaction of aldimines and two alkynes (IA<sup>2</sup>-coupling).","Organic & biomolecular chemistry","2018","16","17","3241","3247","10.1039/c8ob00195b","","x-ray","1.54184","CuKα","","0.0517","0.043","","","0.113","0.122","","","","","","1.023","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549217","17.6414","0.0012","17.596","0.0012","17.5732","0.0011","90","","103.004","0.002","90","","5315.1","0.6","120","","119.97","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H27 Cl N2 O2 S -","- C32 H27 Cl N2 O2 S -","- C256 H216 Cl8 N16 O16 S8 -","8","1","","Bao, Ming; Lu, Wei; Su, Han; Qiu, Lihua; Xu, Xinfang","A convergent formal [4 + 2] cycloaddition of 1,6-diynes and benzyl azides: construction of spiro-polyheterocycles.","Organic & biomolecular chemistry","2018","16","17","3258","3265","10.1039/c8ob00735g","","","0.71073","MoKα","","0.1351","0.0565","","","0.1267","0.184","","","","","","1.108","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549221","21.348","0.004","9.871","0.002","17.745","0.004","90","","92.423","0.005","90","","3736","1.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 N2 O2 -","- C24 H18 N2 O2 -","- C192 H144 N16 O16 -","8","1","","Kumari, Santosh; Shakoor, S. M. Abdul; Khullar, Sadhika; Mandal, Sanjay K.; Sakhuja, Rajeev","An unprecedented tandem synthesis of fluorescent coumarin-fused pyrimidines via copper-catalyzed cross-dehydrogenative C(sp<sup>3</sup>)-N bond coupling.","Organic & biomolecular chemistry","2018","16","17","3220","3228","10.1039/c8ob00586a","","","0.71073","MoKα","","0.073","0.046","","","0.1064","0.1199","","","","","","1.024","","","","has coordinates","301779","2025-08-18","16:06:56",""
"1549719","9.662","0.003","15.701","0.005","14.746","0.005","90","","94.165","0.005","90","","2231.1","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O9 -","- C24 H21 N O9 -","- C96 H84 N4 O36 -","4","1","","Mal, Kajal; Naskar, Barnali; Mondal, Animesh; Goswami, Sanchita; Prodhan, Chandraday; Chaudhuri, Keya; Mukhopadhyay, Chhanda","Dihydroindeno[1,2-b]pyrroles: new Al<sup>3+</sup> selective off-on chemosensors for bio-imaging in living HepG2 cells.","Organic & biomolecular chemistry","2018","16","32","5920","5931","10.1039/c8ob01411f","","","0.71073","MoKα","","0.1117","0.0536","","","0.1358","0.1697","","","","","","0.983","","","","has coordinates","230632","2020-10-21","18:00:00",""
"1556254","30.9982","0.0004","11.381","0.0001","11.1291","0.0001","90","","90","","90","","3926.24","0.07","130","0.1","130","0.1","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C16 H30 O3 Si2 -","- C16 H30 O3 Si2 -","- C128 H240 O24 Si16 -","8","1","","Bender, Tobias; Loits, Darran; White, Jonathan M.; Rizzacasa, Mark A.","Synthesis of the C1-C18 fragment of rhizopodin: late-state introduction of the oxazole.","Organic letters","2014","16","5","1450","1453","10.1021/ol500261n","","","1.5418","CuKα","","0.0309","0.03","","","0.0777","0.0785","","","","","","1.077","","","","has coordinates,has disorder","301780","2025-08-18","21:43:35",""
"1556255","10.504","0.009","12.325","0.012","21.276","0.019","90","","90","","90","","2754","4","293","2","293","2","","","","","","","see text","3","P b c a","-P 2ac 2ab","61","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C120 H160 O32 -","8","1","","Das, Dipendu; Kant, Ruchir; Chakraborty, Tushar Kanti","An approach to a bislactone skeleton: a scalable total synthesis of (±)-penifulvin A.","Organic letters","2014","16","10","2618","2621","10.1021/ol500768w","","","0.71075","MoKα","","0.1288","0.1244","","","0.3384","0.3417","","","","","","1.141","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556256","12.413","0.005","9.758","0.004","13.526","0.006","90","","95.449","0.007","90","","1630.9","1.2","293","","293","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O -","- C20 H18 N2 O -","- C80 H72 N8 O4 -","4","1","","Naresh, Gunaganti; Kant, Ruchir; Narender, Tadigoppula","Copper(II) catalyzed expeditious synthesis of furoquinoxalines through a one-pot three-component coupling strategy.","Organic letters","2014","16","17","4528","4531","10.1021/ol502072k","","","0.71075","MoKα","","0.0702","0.0597","","","0.1737","0.1854","","","","","","1.113","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1557361","7.4767","0.0003","11.673","0.0004","21.5145","0.0012","96.026","0.004","90.715","0.004","98.636","0.003","1845.38","0.14","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H28 Cl2 F17 N3 O3 Pt -","- C30 H28 Cl2 F17 N3 O3 Pt -","- C60 H56 Cl4 F34 N6 O6 Pt2 -","2","1","","Kolari, Kalle; Bulatov, Evgeny; Tatikonda, Rajendhraprasad; Bertula, Kia; Kalenius, Elina; Nonappa, ?; Haukka, Matti","Self-healing, luminescent metallogelation driven by synergistic metallophilic and fluorine-fluorine interactions.","Soft matter","2020","16","11","2795","2802","10.1039/c9sm02186h","","","0.71073","MoKα","","0.0747","0.053","","","0.1065","0.1166","","","","","","1.046","","","","has coordinates,has disorder","250381","2020-10-21","18:00:00",""
"1557362","7.4212","0.0001","12.1297","0.0002","20.0591","0.0003","82.046","0.001","86.277","0.001","85.498","0.002","1780.09","0.05","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H53 Cl2 N3 O4 Pt -","- C33 H53 Cl2 N3 O4 Pt -","- C66 H106 Cl4 N6 O8 Pt2 -","2","1","","Kolari, Kalle; Bulatov, Evgeny; Tatikonda, Rajendhraprasad; Bertula, Kia; Kalenius, Elina; Nonappa, ?; Haukka, Matti","Self-healing, luminescent metallogelation driven by synergistic metallophilic and fluorine-fluorine interactions.","Soft matter","2020","16","11","2795","2802","10.1039/c9sm02186h","","","1.54184","CuKα","","0.0405","0.0375","","","0.0977","0.1007","","","","","","1.043","","","","has coordinates","250381","2020-10-21","18:00:00",""
"1557386","15.327","0.004","9.854","0.002","28.274","0.007","90","","104.113","0.009","90","","4141.4","1.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H12 Br F6 N -","- C23 H12 Br F6 N -","- C184 H96 Br8 F48 N8 -","8","1","","Jyothi, Mane; Annadhasan, Mari; Vinay Pradeep, Vuppu; Chandrasekar, Rajadurai","Direct micro-scale monitoring of molecular aggregation, its growth and diffusion via aggregation-induced emission.","Soft matter","2020","16","11","2664","2668","10.1039/d0sm00108b","","","0.71073","MoKα","","0.1443","0.0736","","","0.1628","0.1931","","","","","","1.023","","","","has coordinates","301780","2025-08-18","21:43:37",""
"1557835","11.7058","0.0007","6.9904","0.0004","5.9153","0.0004","90","","100.159","0.002","90","","476.45","0.05","120","2","119.99","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cl1.5 Fe0.5 H6 O3 -","- Cl1.5 Fe0.5 H6 O3 -","- Cl6 Fe2 H24 O12 -","4","0.5","","Afra, Salar; Samouei, Hamidreza; Truong, Phuc; Nasr-El-Din, Hisham","Micellar growth and network formation in acidic solutions of a sulfobetaine zwitterionic surfactant triggered by an inorganic salt.","Soft matter","2020","16","18","4494","4501","10.1039/d0sm00399a","","x-ray","0.71073","MoKα","","0.0306","0.0297","","","0.1156","0.117","","","","","","1.248","","","","has coordinates","252934","2020-10-21","18:00:00",""
"1557951","4.7673","0.0011","9.5601","0.0019","31.386","0.006","90","","92.31","0.02","90","","1429.3","0.5","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O6 -","- C15 H19 O6 -","- C60 H76 O24 -","4","2","","Dizon, Glenieliz C.; Atkinson, George; Argent, Stephen P.; Santu, Lea T.; Amabilino, David B.","Sustainable sorbitol-derived compounds for gelation of the full range of ethanol-water mixtures.","Soft matter","2020","16","19","4640","4654","10.1039/d0sm00343c","","x-ray","1.54184","CuKα","","0.1156","0.0882","","","0.2019","0.2243","","","","","","1.056","","","","has coordinates,has disorder","252933","2020-10-21","18:00:00",""
"1557952","8.92283","0.00014","4.60123","0.00007","17.4539","0.0003","90","","92.9088","0.0015","90","","715.66","0.02","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H20 O8 -","- C14 H20 O8 -","- C28 H40 O16 -","2","1","","Dizon, Glenieliz C.; Atkinson, George; Argent, Stephen P.; Santu, Lea T.; Amabilino, David B.","Sustainable sorbitol-derived compounds for gelation of the full range of ethanol-water mixtures.","Soft matter","2020","16","19","4640","4654","10.1039/d0sm00343c","","x-ray","1.54184","CuKα","","0.0258","0.0253","","","0.066","0.0665","","","","","","1.064","","","","has coordinates","301780","2025-08-18","21:43:38",""
"1558315","6.241","0.005","5.293","0.004","15.726","0.009","90","","101.19","0.02","90","","509.6","0.6","293","2","293.63","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H12 N2 O5 -","- C9 H12 N2 O5 -","- C18 H24 N4 O10 -","2","1","","Singh, Pijush; Misra, Souvik; Sepay, Nayim; Mondal, Sanjoy; Ray, Debes; Aswal, Vinod K.; Nanda, Jayanta","Self-assembling behaviour of a modified aromatic amino acid in competitive medium.","Soft matter","2020","16","28","6599","6607","10.1039/d0sm00584c","","","0.71073","MoKα","","0.0794","0.0772","","","0.1973","0.201","","","","","","1.071","","","","has coordinates","301780","2025-08-18","21:43:38",""
"1558841","11.942","0.0019","16.17","0.0017","17.035","0.003","63.651","0.015","79.41","0.07","78.27","0.02","2869.7","0.9","200","2","200","2","","","","","","","","4","P -1","-P 1","2","Charles4 (Sinai)","NiAAEMA","","- C100 H122 Ni6 O54 -","- C100 H122 Ni6 O54 -","- C100 H122 Ni6 O54 -","1","0.5","","Zhang, Xinyue; Vidavsky, Yuval; Aharonovich, Sinai; Yang, Steven J.; Buche, Michael R.; Diesendruck, Charles E.; Silberstein, Meredith N.","Bridging experiments and theory: isolating the effects of metal-ligand interactions on viscoelasticity of reversible polymer networks.","Soft matter","2020","16","37","8591","8601","10.1039/d0sm01115k","","","0.71073","MoKα","","0.0754","0.0634","","","0.1499","0.1561","","","","","","1.091","","","","has coordinates,has disorder","258149","2020-10-21","18:00:00",""
"1558981","16.87","0.004","5.77","0.001","19.89","0.003","90","","105.9","0.012","90","","1862","0.6","100","2","100","2","","","","","","","Synthesis","4","C 1 2 1","C 2y","5","","","","- C15 H31 N2 O7.5 -","- C15 H31 N2 O7.5 -","- C60 H124 N8 O30 -","4","1","","Bellotto, Ottavia; Kralj, Slavko; De Zorzi, Rita; Geremia, Silvano; Marchesan, Silvia","Supramolecular hydrogels from unprotected dipeptides: a comparative study on stereoisomers and structural isomers.","Soft matter","2020","16","44","10151","10157","10.1039/d0sm01191f","","x-ray","0.7","Synchrotron","","0.0797","0.0772","","","0.2235","0.2284","","","","","","1.117","","","","has coordinates","259629","2020-12-06","14:55:48",""
"1568456","8.7612","0.0011","13.2409","0.0016","17.624","0.002","93.211","0.006","98.646","0.006","97.221","0.006","1999.4","0.4","100","2","100","","","","","","","","","6","P -1","-P 1","2","","ITIC-Th","","- C88 H78 Br4 N4 O2 S8 -","- C88 H78 Br4 N4 O2 S8 -","- C88 H78 Br4 N4 O2 S8 -","1","0.5","","Zhu, Weigang; Li, Guoping; Mukherjee, Subhrangsu; Powers-Riggs, Natalia E.; Jones, Leighton O.; Gann, Eliot; Kline, R. Joseph; Herzing, Andrew; Logsdon, Jenna L.; Flagg, Lucas; Stern, Charlotte L.; Young, Ryan M.; Kohlstedt, Kevin L.; Schatz, George C.; DeLongchamp, Dean M.; Wasielewski, Michael R.; Melkonyan, Ferdinand S.; Facchetti, Antonio; Marks, Tobin J.","Quantitative relationships between film morphology, charge carrier dynamics, and photovoltaic performance in bulk-heterojunction binary vs. ternary acceptor blends","Energy & Environmental Science","2023","16","3","1234","1250","10.1039/D2EE03883H","","","1.54178","CuKα","","0.041","0.0375","","","0.1002","0.1024","","","","","","1.05","","","","has coordinates","282340","2023-04-04","10:18:59",""
"1568932","27.159","0.0012","21.1739","0.0009","23.6358","0.001","90","","95.848","0.004","90","","13521.3","1","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- H76 Li14 Na O148 P5 W30 -","- Na O125.6 P5 W30 -","- Na4 O502.4 P20 W120 -","4","0.5","","Zhao, Tingting; Bell, Nicola L.; Chisholm, Greig; Kandasamy, Balamurugan; Long, De-Liang; Cronin, Leroy","Aqueous solutions of super reduced polyoxotungstates as electron storage systems.","Energy & environmental science","2023","16","6","2603","2610","10.1039/d3ee00569k","","","0.71073","MoKα","","0.0908","0.0809","","","0.2189","0.2268","","","","","","1.063","","","","has coordinates","284925","2023-07-05","10:21:54",""
"1569354","24.3943","0.0008","14.1219","0.0004","29.0635","0.0008","90","","103.837","0.003","90","","9721.6","0.5","180","0.1","180","0.1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","Qx-m-4F","","- C104 H110 F6 N8 O2 S4 -","- C105 H111 Cl3 F6 N8 O2 S4 -","- C420 H444 Cl12 F24 N32 O8 S16 -","4","1","","Xie, Meiling; Shi, Yanan; Zhu, Lingyun; Zhang, Jianqi; Cheng, Qian; Zhang, Hao; Yan, Yangjun; Zhu, Mingquan; Zhou, Huiqiong; Lu, Kun; Wei, Zhixiang","Selective halogenation of central and end-units of nonfullerene acceptors enables enhanced molecular packing and photovoltaic performance","Energy & Environmental Science","2023","16","8","3543","3551","10.1039/D3EE01333B","","x-ray","0.71073","MoKα","","0.1044","0.0812","","","0.2083","0.2236","","","","","","1.061","","","","has coordinates,has disorder","286128","2023-09-05","19:53:10",""
"1569355","22.0344","0.0004","27.1704","0.0004","38.5671","0.0007","90","","98.0928","0.0017","90","","22859.5","0.7","180","0.1","180","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Qx-o-4F","","- C104 H110 F6 N8 O2 S4 -","- C105.154 H111.154 Cl3.462 F6 N8 O2 S4 -","- C841.232 H889.232 Cl27.696 F48 N64 O16 S32 -","8","2","","Xie, Meiling; Shi, Yanan; Zhu, Lingyun; Zhang, Jianqi; Cheng, Qian; Zhang, Hao; Yan, Yangjun; Zhu, Mingquan; Zhou, Huiqiong; Lu, Kun; Wei, Zhixiang","Selective halogenation of central and end-units of nonfullerene acceptors enables enhanced molecular packing and photovoltaic performance","Energy & Environmental Science","2023","16","8","3543","3551","10.1039/D3EE01333B","","x-ray","0.71073","MoKα","","0.1246","0.1023","","","0.2314","0.243","","","","","","1.088","","","","has coordinates,has disorder","286128","2023-09-05","19:53:11",""
"1569462","10.49212","0.00016","10.49212","0.00016","10.49212","0.00016","90","","90","","90","","1155.02","0.03","293","1","293","1","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cr2 Re0.06 Se4 Zn0.94 -","- Cr2 Re0.06 Se4 Zn0.9401 -","- Cr16 Re0.48 Se32 Zn7.5208 -","8","0.0416667","","Jendrzejewska, Izabela; Groń, Tadeusz; Kusz, Joachim; Stokłosa, Zbigniew; Pietrasik, Ewa; Goryczka, Tomasz; Sawicki, Bogdan; Goraus, Jerzy; Jampilek, Josef; Witkowska-Kita, Beata","Synthesis, Structure, and Physicochemical Characteristics of Zn1−xRexCr2Se4 Single Crystals","Materials","2023","16","13","4565","","10.3390/ma16134565","","","0.71073","MoKα","","0.0242","0.0236","","","0.071","0.072","","","","","","1.176","","","","has coordinates","285021","2023-07-06","04:54:09",""
"1569463","10.49206","0.00019","10.49206","0.00019","10.49206","0.00019","90","","90","","90","","1155","0.04","293","1","293","1","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cr2 Re0.07 Se4 Zn0.93 -","- Cr2 Re0.0701 Se4 Zn0.93 -","- Cr16 Re0.5608 Se32 Zn7.44 -","8","0.0416667","","Jendrzejewska, Izabela; Groń, Tadeusz; Kusz, Joachim; Stokłosa, Zbigniew; Pietrasik, Ewa; Goryczka, Tomasz; Sawicki, Bogdan; Goraus, Jerzy; Jampilek, Josef; Witkowska-Kita, Beata","Synthesis, Structure, and Physicochemical Characteristics of Zn1−xRexCr2Se4 Single Crystals","Materials","2023","16","13","4565","","10.3390/ma16134565","","","0.71073","MoKα","","0.0248","0.0245","","","0.076","0.0764","","","","","","1.172","","","","has coordinates","285022","2023-07-06","04:55:18",""
"1569464","10.49635","0.00014","10.49635","0.00014","10.49635","0.00014","90","","90","","90","","1156.42","0.03","293","1","293","1","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cr2 Re0.1 Se4 Zn0.9 -","- Cr2 Re0.1001 Se4 Zn0.9 -","- Cr16 Re0.8008 Se32 Zn7.2 -","8","0.0416667","","Jendrzejewska, Izabela; Groń, Tadeusz; Kusz, Joachim; Stokłosa, Zbigniew; Pietrasik, Ewa; Goryczka, Tomasz; Sawicki, Bogdan; Goraus, Jerzy; Jampilek, Josef; Witkowska-Kita, Beata","Synthesis, Structure, and Physicochemical Characteristics of Zn1−xRexCr2Se4 Single Crystals","Materials","2023","16","13","4565","","10.3390/ma16134565","","","0.71073","MoKα","","0.0327","0.0326","","","0.1077","0.1078","","","","","","1.212","","","","has coordinates","285023","2023-07-06","04:56:09",""
"1569465","10.50025","0.00015","10.50025","0.00015","10.50025","0.00015","90","","90","","90","","1157.71","0.03","293","1","293","1","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cr2 Re0.12 Se4 Zn0.88 -","- Cr2 Re0.12 Se4 Zn0.8801 -","- Cr16 Re0.96 Se32 Zn7.0408 -","8","0.0416667","","Jendrzejewska, Izabela; Groń, Tadeusz; Kusz, Joachim; Stokłosa, Zbigniew; Pietrasik, Ewa; Goryczka, Tomasz; Sawicki, Bogdan; Goraus, Jerzy; Jampilek, Josef; Witkowska-Kita, Beata","Synthesis, Structure, and Physicochemical Characteristics of Zn1−xRexCr2Se4 Single Crystals","Materials","2023","16","13","4565","","10.3390/ma16134565","","","0.71073","MoKα","","0.0417","0.0413","","","0.1259","0.1263","","","","","","1.169","","","","has coordinates","285024","2023-07-06","04:57:09",""
"1569466","10.49448","0.00014","10.49448","0.00014","10.49448","0.00014","90","","90","","90","","1155.8","0.03","293","1","293","1","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cr2 Re0.08 Se4 Zn0.92 -","- Cr2 Re0.0799 Se4 Zn0.9202 -","- Cr16 Re0.6392 Se32 Zn7.3616 -","8","0.0416667","","Jendrzejewska, Izabela; Groń, Tadeusz; Kusz, Joachim; Stokłosa, Zbigniew; Pietrasik, Ewa; Goryczka, Tomasz; Sawicki, Bogdan; Goraus, Jerzy; Jampilek, Josef; Witkowska-Kita, Beata","Synthesis, Structure, and Physicochemical Characteristics of Zn1−xRexCr2Se4 Single Crystals","Materials","2023","16","13","4565","","10.3390/ma16134565","","","0.71073","MoKα","","0.0266","0.0266","","","0.0882","0.0882","","","","","","1.182","","","","has coordinates","285025","2023-07-06","04:58:18",""
"1569467","13.9073","0.0006","15.0023","0.0006","12.4269","0.0006","90","","90","","90","","2592.8","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Ca H22 O30 U6 -","- Ca H22 O30 U6 -","- Ca4 H88 O120 U24 -","4","1","","Gurzhiy, Vladislav V.; Burakov, Boris E.; Zubekhina, Bella Yu.; Kasatkin, Anatoly V.","Evolution of Chernobyl Corium in Water: Formation of Secondary Uranyl Phases","Materials","2023","16","13","4533","","10.3390/ma16134533","","x-ray","0.71073","MoKα","","0.0452","0.0352","","","0.0762","0.0801","","","","","","1.051","","","","has coordinates","285026","2023-07-06","04:59:03",""
"1569468","13.8517","0.0005","14.9553","0.0006","12.3753","0.0005","90","","90","","90","","2563.62","0.17","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Ca H22 O30 U6 -","- Ca H22 O30 U6 -","- Ca4 H88 O120 U24 -","4","1","","Gurzhiy, Vladislav V.; Burakov, Boris E.; Zubekhina, Bella Yu.; Kasatkin, Anatoly V.","Evolution of Chernobyl Corium in Water: Formation of Secondary Uranyl Phases","Materials","2023","16","13","4533","","10.3390/ma16134533","","x-ray","0.71073","MoKα","","0.055","0.0392","","","0.0762","0.0803","","","","","","1.058","","","","has coordinates","285027","2023-07-06","04:59:43",""
"1569469","17.4042","0.0003","16.0025","0.0003","13.5595","0.0002","90","","90","","90","","3776.47","0.11","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- Ca2 H14 Mn0.03 O23 P2 U3 -","- Ca2 H14 Mn0.025 O23 P2 U3 -","- Ca16 H112 Mn0.2 O184 P16 U24 -","8","1","","Gurzhiy, Vladislav V.; Burakov, Boris E.; Zubekhina, Bella Yu.; Kasatkin, Anatoly V.","Evolution of Chernobyl Corium in Water: Formation of Secondary Uranyl Phases","Materials","2023","16","13","4533","","10.3390/ma16134533","","x-ray","0.71073","MoKα","","0.0273","0.0203","","","0.036","0.0373","","","","","","1.028","","","","has coordinates","285028","2023-07-06","05:00:28",""
"1569909","19.8544","0.0009","19.8544","0.0009","16.6635","0.0011","90","","90","","120","","5688.7","0.5","170","","170","","","","","","","","","3","P -3","-P 3","147","","","","- C39 H27 N3 -","- C39 H27 N3 -","- C312 H216 N24 -","8","1.33333","","Fang, Lingyi; Zhang, Yuyan; Cai, Yaohang; Zhang, Jing; Wei, Yuefang; Yuan, Yi; Wang, Peng","Solution-processable organic semiconductors with over 220 °C glass transition temperature: manipulating morphology using a helical polycyclic heteroaromatic motif","Energy & Environmental Science","2023","16","11","5231","5242","10.1039/D3EE02601A","","","1.34139","GaKα","","0.151","0.0927","","","0.2314","0.263","","","","","","1.024","","","","has coordinates","288812","2024-01-06","08:18:03",""
"1569910","18.0704","0.0006","18.0704","0.0006","16.2498","0.0007","90","","90","","120","","4595.3","0.3","170","","170","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C39 H27 N3 -","- C39 H27 N3 -","- C234 H162 N18 -","6","0.333333","","Fang, Lingyi; Zhang, Yuyan; Cai, Yaohang; Zhang, Jing; Wei, Yuefang; Yuan, Yi; Wang, Peng","Solution-processable organic semiconductors with over 220 °C glass transition temperature: manipulating morphology using a helical polycyclic heteroaromatic motif","Energy & Environmental Science","2023","16","11","5231","5242","10.1039/D3EE02601A","","","0.71073","MoKα","","0.0575","0.0469","","","0.1229","0.1302","","","","","","1.058","","","","has coordinates","288812","2024-01-06","08:18:04",""
"1569911","13.117","0.0003","53.4561","0.0012","12.9832","0.0003","90","","113.512","0.001","90","","8347.8","0.3","170","2","170","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C54 H57 N3 -","- C54 H57 N3 -","- C432 H456 N24 -","8","2","","Fang, Lingyi; Zhang, Yuyan; Cai, Yaohang; Zhang, Jing; Wei, Yuefang; Yuan, Yi; Wang, Peng","Solution-processable organic semiconductors with over 220 °C glass transition temperature: manipulating morphology using a helical polycyclic heteroaromatic motif","Energy & Environmental Science","2023","16","11","5231","5242","10.1039/D3EE02601A","","","0.71073","MoKα","","0.1043","0.0815","","","0.2194","0.2416","","","","","","1.021","","","","has coordinates,has disorder","288812","2024-01-06","08:18:04",""
"1570145","8.7351","0.0007","19.5191","0.0017","26.799","0.002","90","","97.543","0.008","90","","4529.7","0.6","150","2","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C112 H72 Cl4 N4 O2 S4 -","- C98 H58 Cl4 N4 O2 S4 -","- C196 H116 Cl8 N8 O4 S8 -","2","0.5","","Lai, Hanjian; Chen, Hui; Chen, Zi-Yi; Lang, Yongwen; Zhu, Yulin; Zhang, Shi-Tong; Lai, Xue; Tan, Pu; Zhang, Yuanzhu; Yang, Bing; Li, Gang; He, Feng","Exploring the significance of packing modes and 3D framework sizes and utilizing three chlorine-mediated acceptors and the “like dissolves like” approach for achieving an efficiency over 19%","Energy & Environmental Science","2023","16","12","5944","5955","10.1039/D3EE01690K","","","1.54184","CuKα","","0.3004","0.162","","","0.3196","0.4253","","","","","","0.867","","","","has coordinates","288813","2024-01-06","08:18:38",""
"1570146","24.082","0.002","57.855","0.006","13.8091","0.0011","90","","104.745","0.004","90","","18606","3","100","","103","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62.5 H28 Br Cl4 N8 O3 S5 -","- C62.5 H28 Br Cl4 N8 O3 S5 -","- C500 H224 Br8 Cl32 N64 O24 S40 -","8","1","","Lai, Hanjian; Chen, Hui; Chen, Zi-Yi; Lang, Yongwen; Zhu, Yulin; Zhang, Shi-Tong; Lai, Xue; Tan, Pu; Zhang, Yuanzhu; Yang, Bing; Li, Gang; He, Feng","Exploring the significance of packing modes and 3D framework sizes and utilizing three chlorine-mediated acceptors and the “like dissolves like” approach for achieving an efficiency over 19%","Energy & Environmental Science","2023","16","12","5944","5955","10.1039/D3EE01690K","","","1.54178","CuKα","","0.2127","0.1834","","","0.4215","0.4439","","","","","","0.888","","","","has coordinates","288813","2024-01-06","08:18:44",""
"1570147","26.6758","0.0017","22.3323","0.0015","29.799","0.002","90","","105.664","0.003","90","","17093","2","102","2","102","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H28 Cl4 N8 O2 S5 -","- C62 H28 Cl4 N8 O2 S5 -","- C496 H224 Cl32 N64 O16 S40 -","8","1","","Lai, Hanjian; Chen, Hui; Chen, Zi-Yi; Lang, Yongwen; Zhu, Yulin; Zhang, Shi-Tong; Lai, Xue; Tan, Pu; Zhang, Yuanzhu; Yang, Bing; Li, Gang; He, Feng","Exploring the significance of packing modes and 3D framework sizes and utilizing three chlorine-mediated acceptors and the “like dissolves like” approach for achieving an efficiency over 19%","Energy & Environmental Science","2023","16","12","5944","5955","10.1039/D3EE01690K","","","1.54178","CuKα","","0.1593","0.1394","","","0.3733","0.3904","","","","","","1.06","","","","has coordinates","288813","2024-01-06","08:18:55",""
"1570148","11.4138","0.0019","18.519","0.004","20.916","0.003","97.168","0.011","104.322","0.009","107.723","0.008","3983.3","1.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C77 H56 Cl4 N8 O3 S5 -","- C77 H56 Cl4 N8 O3 S5 -","- C154 H112 Cl8 N16 O6 S10 -","2","1","","Lai, Hanjian; Chen, Hui; Chen, Zi-Yi; Lang, Yongwen; Zhu, Yulin; Zhang, Shi-Tong; Lai, Xue; Tan, Pu; Zhang, Yuanzhu; Yang, Bing; Li, Gang; He, Feng","Exploring the significance of packing modes and 3D framework sizes and utilizing three chlorine-mediated acceptors and the “like dissolves like” approach for achieving an efficiency over 19%","Energy & Environmental Science","2023","16","12","5944","5955","10.1039/D3EE01690K","","","1.34139","GaKα","","0.194","0.1532","","","0.3562","0.3802","","","","","","0.98","","","","has coordinates","288813","2024-01-06","08:18:58",""
"1570149","24.068","0.005","59.021","0.012","13.648","0.003","90","","101.855","0.009","90","","18974","7","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60.83 H25.65 Br1.67 Cl4 N8 O2 S5 -","- C59.8333 H23.6146 Br1.6666 Cl4 N8 O2 S5 -","- C478.666 H188.917 Br13.3328 Cl32 N64 O16 S40 -","8","1","","Lai, Hanjian; Chen, Hui; Chen, Zi-Yi; Lang, Yongwen; Zhu, Yulin; Zhang, Shi-Tong; Lai, Xue; Tan, Pu; Zhang, Yuanzhu; Yang, Bing; Li, Gang; He, Feng","Exploring the significance of packing modes and 3D framework sizes and utilizing three chlorine-mediated acceptors and the “like dissolves like” approach for achieving an efficiency over 19%","Energy & Environmental Science","2023","16","12","5944","5955","10.1039/D3EE01690K","","","1.34139","GaKα","","0.2202","0.1901","","","0.4027","0.4162","","","","","","0.985","","","","has coordinates,has disorder","288813","2024-01-06","08:19:09",""
"1570150","12.5553","0.0004","14.6952","0.0004","16.332","0.0005","82.201","0.001","85.712","0.001","75.234","0.001","2884.29","0.15","170","2","170","","","","","","","","","7","P -1","-P 1","2","","","","- C116 H154 F2 N2 O4 S12 Si2 -","- C116 H154 F2 N2 O4 S12 Si2 -","- C116 H154 F2 N2 O4 S12 Si2 -","1","0.5","","Xu, Tongle; Lv, Jie; Zheng, Daming; Luo, Zhenghui; Jee, Min Hun; Ran, Guangliu; Chen, Zhanxiang; Huang, Zhongyan; Ren, Jiaqi; Li, Yuxiang; Zhang, Cai’e; Hu, Hanlin; Pauporté, Thierry; Zhang, Wenkai; Woo, Han Young; Yang, Chuluo","Regulating the reorganization energy and crystal packing of small-molecule donors enables the high performance of binary all-small-molecule organic solar cells with a slow film growth rate","Energy & Environmental Science","2023","16","12","5933","5943","10.1039/D3EE02129G","","","0.71073","MoKα","","0.0641","0.0507","","","0.135","0.148","","","","","","1.01","","","","has coordinates,has disorder","288814","2024-01-06","08:19:18",""
"1570151","9.8191","0.0003","14.0215","0.0005","20.6969","0.0007","76.135","0.001","82.232","0.001","80.174","0.001","2712.64","0.16","170","","170","","","","","","","","","7","P -1","-P 1","2","","","","- C108 H140 Cl2 N2 O2 S12 Si2 -","- C108 H138 Cl2 N2 O2 S12 Si2 -","- C108 H138 Cl2 N2 O2 S12 Si2 -","1","0.5","","Xu, Tongle; Lv, Jie; Zheng, Daming; Luo, Zhenghui; Jee, Min Hun; Ran, Guangliu; Chen, Zhanxiang; Huang, Zhongyan; Ren, Jiaqi; Li, Yuxiang; Zhang, Cai’e; Hu, Hanlin; Pauporté, Thierry; Zhang, Wenkai; Woo, Han Young; Yang, Chuluo","Regulating the reorganization energy and crystal packing of small-molecule donors enables the high performance of binary all-small-molecule organic solar cells with a slow film growth rate","Energy & Environmental Science","2023","16","12","5933","5943","10.1039/D3EE02129G","","","1.34139","GaKα","","0.0542","0.0508","","","0.1466","0.1501","","","","","","1.024","","","","has coordinates,has disorder","288814","2024-01-06","08:19:18",""
"1570297","9.993","0.001","9.993","0.001","9.993","0.001","90","","90","","90","","997.9","0.17","503","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Heptalithium disulfid tetrasulfidophosphate(V)","","- Li7 P S6 -","- Li6.36 P S6 -","- Li25.44 P4 S24 -","4","0.0416667","","Kong, Shiao Tong; Gün, Özgül; Koch, Barbara; Deiseroth, Hans Jörg; Eckert, Hellmut; Reiner, Christof","Structural Characterisation of the Li Argyrodites Li7PS6 and Li7PSe6 and their Solid Solutions: Quantification of Site Preferences by MAS‐NMR Spectroscopy","Chemistry – A European Journal","2010","16","17","5138","5147","10.1002/chem.200903023","","","0.71973","MoKα","","","0.0278","","","","0.069","","","1.183","","","","","","","has coordinates","287557","2023-11-12","11:44:28",""
"1570300","10.475","0.001","10.475","0.001","10.475","0.001","90","","90","","90","","1149.38","0.19","453","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Heptalithium disulfid tetrasulfidophosphate(V)","","- Li7 P Se6 -","- Li7.92 P Se6 -","- Li31.68 P4 Se24 -","4","0.0416667","","Kong, Shiao Tong; Gün, Özgül; Koch, Barbara; Deiseroth, Hans Jörg; Eckert, Hellmut; Reiner, Christof","Structural Characterisation of the Li Argyrodites Li7PS6 and Li7PSe6 and their Solid Solutions: Quantification of Site Preferences by MAS‐NMR Spectroscopy","Chemistry – A European Journal","2010","16","17","5138","5147","10.1002/chem.200903023","","","0.71973","MoKα","","","0.0268","","","","0.0429","","","1.141","","","","","","","has coordinates","287590","2023-11-14","22:35:22",""
"1570582","21.8845","0.0002","22.1526","0.0003","49.1884","0.0004","91.508","0.001","101.282","0.001","118.372","0.001","20379","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C300 H449 Ag54 Br4 S30 -","- C300 H449 Ag54 Br4 S30 -","- C600 H898 Ag108 Br8 S60 -","2","1","","Li, Haoqi; Wei, Xiao; Kang, Xi; Zhu, Manzhou","Effects of bromine-containing counterion salts in directing the structures of medium-sized silver nanoclusters.","Nanoscale","2024","16","3","1254","1259","10.1039/d3nr05464k","","","1.54186","CuKα","","0.1006","0.0888","","","0.2453","0.2576","","","","","","1.028","","","","has coordinates,has disorder","289574","2024-02-04","12:18:50",""
"1570583","47.2631","0.0008","24.0336","0.0003","35.4451","0.0004","90","","90","","90","","40262.2","1","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C284 H391 Ag52 Br4 S30 -","- C284 H389 Ag52 Br4 S30 -","- C1136 H1556 Ag208 Br16 S120 -","4","0.5","","Li, Haoqi; Wei, Xiao; Kang, Xi; Zhu, Manzhou","Effects of bromine-containing counterion salts in directing the structures of medium-sized silver nanoclusters.","Nanoscale","2024","16","3","1254","1259","10.1039/d3nr05464k","","","1.54178","CuKα","","0.1502","0.1167","","","0.2971","0.322","","","","","","1.096","","","","has coordinates,has disorder","289574","2024-02-04","12:18:50",""
"1570584","38.512","0.0006","21.966","0.0004","49.9423","0.0009","90","","107.332","0.001","90","","40330.6","1.2","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C300 H446 Ag58 Br4 N2 O6 S30 -","- C300 H446 Ag58 Br4 N2 O6 S30 -","- C1200 H1784 Ag232 Br16 N8 O24 S120 -","4","0.5","","Li, Haoqi; Wei, Xiao; Kang, Xi; Zhu, Manzhou","Effects of bromine-containing counterion salts in directing the structures of medium-sized silver nanoclusters.","Nanoscale","2024","16","3","1254","1259","10.1039/d3nr05464k","","","1.54186","CuKα","","0.1261","0.0924","","","0.2564","0.2868","","","","","","0.986","","","","has coordinates,has disorder","289574","2024-02-04","12:18:50",""
"1570610","16.3155","0.0003","16.3155","0.0003","29.6131","0.0005","90","","90","","120","","6826.8","0.2","200","0.1","199.99","0.1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C72 H109 Ag14 Cl O -","- C72 H108 Ag14 Cl -","- C216 H324 Ag42 Cl3 -","3","0.166667","","Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang","X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters.","Nanoscale","2024","16","5","2662","2671","10.1039/d3nr05409h","","","1.54184","CuKα","","0.0559","0.0495","","","0.1393","0.1438","","","","","","1.064","","","","has coordinates,has disorder","289573","2024-02-04","12:18:13",""
"1570611","16.3057","0.0004","16.3057","0.0004","29.6423","0.0007","90","","90","","120","","6825.3","0.3","199.99","0.1","199.99","0.1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C72 H109 Ag14 Cl O -","- C72 H108 Ag14 Cl -","- C216 H324 Ag42 Cl3 -","3","0.166667","","Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang","X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters.","Nanoscale","2024","16","5","2662","2671","10.1039/d3nr05409h","","","1.54184","CuKα","","0.1011","0.0856","","","0.2487","0.2612","","","","","","1.052","","","","has coordinates,has disorder","289573","2024-02-04","12:18:13",""
"1570612","16.3356","0.0008","16.3356","0.0008","29.4449","0.0014","90","","90","","120","","6804.7","0.6","200","0.1","200.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C72 H109 Ag14 Cl O -","- C70.29 H102.87 Ag14 Cl -","- C210.87 H308.61 Ag42 Cl3 -","3","0.166667","","Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang","X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters.","Nanoscale","2024","16","5","2662","2671","10.1039/d3nr05409h","","","0.71073","MoKα","","0.0701","0.0439","","","0.1284","0.1395","","","","","","1.043","","","","has coordinates,has disorder","289573","2024-02-04","12:18:13",""
"1570613","16.1523","0.0006","16.1523","0.0006","29.3979","0.0016","90","","90","","120","","6642.3","0.5","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","Ag14 II Ga 100K","","- C75 H118 Ag14 Cl O -","- C75 H118 Ag14 Cl O -","- C225 H354.001 Ag42 Cl3 O3 -","3","0.166667","","Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang","X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters.","Nanoscale","2024","16","5","2662","2671","10.1039/d3nr05409h","","","1.34139","GaKα","","0.0768","0.0662","","","0.1881","0.198","","","","","","1.049","","","","has coordinates,has disorder","289573","2024-02-04","12:18:13",""
"1570614","16.541","0.0009","16.541","0.0009","29.8249","0.0019","90","","90","","120","","7067","0.7","200.01","0.1","200.01","0.1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H108 Ag14 B Cl F4 -","- C72 H108 Ag14 Cl -","- C216 H324 Ag42 Cl3 -","3","0.166667","","Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang","X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters.","Nanoscale","2024","16","5","2662","2671","10.1039/d3nr05409h","","x-ray","0.71073","MoKα","","0.0698","0.0466","","","0.1364","0.148","","","","","","1.06","","","","has coordinates,has disorder","289573","2024-02-04","12:18:13",""
"1570615","16.438","0.003","16.438","0.003","29.9","0.007","90","","90","","120","","6997","2","302","","302","","","","","","","","","5","R -3 :H","-R 3","148","","AG14 II Ga 300K","","- C72 H109 Ag14 Cl O -","- C72 H109 Ag14 Cl O -","- C216 H327.001 Ag42 Cl3 O3 -","3","0.166667","","Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang","X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters.","Nanoscale","2024","16","5","2662","2671","10.1039/d3nr05409h","","","1.34139","GaKα","","0.0779","0.0671","","","0.1921","0.2031","","","","","","1.071","","","","has coordinates,has disorder","289573","2024-02-04","12:18:13",""
"1570616","21.8992","0.0008","21.8992","0.0008","15.485","0.0008","90","","90","","120","","6431.3","0.5","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C72 H109 Ag14 F O -","- C72 H108 Ag14 F -","- C216 H324 Ag42 F3 -","3","0.166667","","Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang","X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters.","Nanoscale","2024","16","5","2662","2671","10.1039/d3nr05409h","","","1.34139","GaKα","","0.0745","0.0501","","","0.132","0.1446","","","","","","1.07","","","","has coordinates,has disorder","289573","2024-02-04","12:18:13",""
"1570617","21.8873","0.0007","21.8873","0.0007","15.5998","0.0008","90","","90","","120","","6471.9","0.4","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C72 H109 Ag14 Cl O -","- C72 H108 Ag14 Cl -","- C216 H324 Ag42 Cl3 -","3","0.166667","","Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang","X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters.","Nanoscale","2024","16","5","2662","2671","10.1039/d3nr05409h","","","1.34139","GaKα","","0.1041","0.0969","","","0.2236","0.2266","","","","","","1.192","","","","has coordinates,has disorder","289573","2024-02-04","12:18:13",""
"1570618","21.96","0.0006","21.96","0.0006","15.4656","0.0007","90","","90","","120","","6459","0.4","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C72 H109 Ag14 Br O -","- C72 H108 Ag14 Br -","- C216 H324 Ag42 Br3 -","3","0.166667","","Ren, Zhen; Sun, Jun-Jun; Xu, Long; Luo, Peng; Ma, Zi-Wei; Li, Si; Si, Yu-Bing; Dong, Xi-Yan; Pan, Fangfang","X-ray-triggered through-space charge transfer and photochromism in silver nanoclusters.","Nanoscale","2024","16","5","2662","2671","10.1039/d3nr05409h","","","1.34139","GaKα","","0.0674","0.0496","","","0.1435","0.1528","","","","","","1.075","","","","has coordinates,has disorder","289573","2024-02-04","12:18:13",""
"1570749","24.596","0.005","28.305","0.006","29.247","0.006","64.888","0.008","81.085","0.009","81.878","0.009","18149","7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C121.5 H179.5 B Cl10.5 Cu29 F4 P4 S12 -","- C121.5 H179.5 B Cl10.5 Cu29 F4 P4 S12 -","- C486 H718 B4 Cl42 Cu116 F16 P16 S48 -","4","2","","Das, Anish Kumar; Biswas, Sourav; Pal, Amit; Manna, Surya Sekhar; Sardar, Avirup; Mondal, Pradip Kumar; Sahoo, Basudev; Pathak, Biswarup; Mandal, Sukhendu","A thiolated copper-hydride nanocluster with chloride bridging as a catalyst for carbonylative C-N coupling of aryl amines under mild conditions: a combined experimental and theoretical study.","Nanoscale","2024","16","7","3583","3590","10.1039/d3nr05912j","","","0.71073","MoKα","","0.3605","0.1233","","","0.2983","0.4415","","","","","","0.912","","","","has coordinates","299904","2025-06-02","18:21:24",""
"1570840","12.558","0.003","16.386","0.003","18.212","0.004","90","","103.9","0.03","90","","3637.8","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1D-DGIST-18","","- C30 H39 N O11 S5 Zn -","- C30 H39 N O11 S5 Zn -","- C120 H156 N4 O44 S20 Zn4 -","4","1","","Jin, Kangwoo; Park, Nohyoon; Ahn, Yongdeok; Seo, Daeha; Moon, Dohyun; Sung, Jooyoung; Park, Jinhee","Solvent-induced structural transformation in a one-dimensional coordination polymer.","Nanoscale","2024","16","9","4571","4577","10.1039/d4nr00265b","","","0.7","synchrotron","","0.0624","0.0574","","","0.1624","0.1668","","","","","","1.072","","","","has coordinates,has disorder","291006","2024-04-04","23:56:37",""
"1570841","8.563","0.0017","16.995","0.003","17.633","0.004","90","","101.24","0.03","90","","2516.9","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1D-DGIST-18'","","- C22 H17 N O8 S Zn -","- C22 H17 N O8 S Zn -","- C88 H68 N4 O32 S4 Zn4 -","4","1","","Jin, Kangwoo; Park, Nohyoon; Ahn, Yongdeok; Seo, Daeha; Moon, Dohyun; Sung, Jooyoung; Park, Jinhee","Solvent-induced structural transformation in a one-dimensional coordination polymer.","Nanoscale","2024","16","9","4571","4577","10.1039/d4nr00265b","","","0.7","synchrotron","","0.1845","0.1148","","","0.3481","0.3789","","","","","","1.185","","","","has coordinates,has disorder","291006","2024-04-04","23:56:37",""
"1570842","18.659","0.004","19.486","0.004","17.039","0.003","90","","122.41","0.03","90","","5230","3","253","2","253","2","","","","","","","","5","C 1 c 1","C -2yc","9","","3D-DGIST-18","","- C49 H39 N5 O15 Zn2 -","- C49 H39 N5 O15 Zn2 -","- C196 H156 N20 O60 Zn8 -","4","1","","Jin, Kangwoo; Park, Nohyoon; Ahn, Yongdeok; Seo, Daeha; Moon, Dohyun; Sung, Jooyoung; Park, Jinhee","Solvent-induced structural transformation in a one-dimensional coordination polymer.","Nanoscale","2024","16","9","4571","4577","10.1039/d4nr00265b","","","0.7","synchrotron","","0.0394","0.0387","","","0.1059","0.1066","","","","","","1.044","","","","has coordinates,has disorder","291006","2024-04-04","23:56:37",""
"1570892","23.4881","0.0012","30.1131","0.0018","48.101","0.003","90","","90","","90","","34022","3","296","2","296","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","Ni10(pMPT)20","","- C140 H140 Ni10 S20 -","- C140 H140 Ni10 S20 -","- C1120 H1120 Ni80 S160 -","8","0.25","","Xiang, Huixin; Cheng, Ranran; Ruan, Chenhao; Meng, Changqing; Gan, Yuzheng; Cheng, Wanyu; Zhao, Yue; Xu, Cong-Qiao; Li, Jun; Yao, Chuanhao","A homologous series of macrocyclic Ni clusters: synthesis, structures, and catalytic properties.","Nanoscale","2024","16","9","4563","4570","10.1039/d3nr06015b","","","0.71073","MoKα","","0.0845","0.0413","","","0.1216","0.1648","","","","","","0.959","","","","has coordinates","291008","2024-04-04","23:57:38",""
"1570893","28.916","0.007","28.916","0.007","69.42","0.03","90","","90","","120","","50268","3","173","","173","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Ni9(pMPT)18","","- C126 H126 Ni9 S18 -","- C126 H126 Ni9 S18 -","- C1512 H1512 Ni108 S216 -","12","0.333333","","Xiang, Huixin; Cheng, Ranran; Ruan, Chenhao; Meng, Changqing; Gan, Yuzheng; Cheng, Wanyu; Zhao, Yue; Xu, Cong-Qiao; Li, Jun; Yao, Chuanhao","A homologous series of macrocyclic Ni clusters: synthesis, structures, and catalytic properties.","Nanoscale","2024","16","9","4563","4570","10.1039/d3nr06015b","","x-ray","1.34139","GaKα","","0.0961","0.0666","","","0.1969","0.2151","","","","","","1.073","","","","has coordinates","291008","2024-04-04","23:57:38",""
"1570894","15.8579","0.0017","19.165","0.002","19.177","0.002","87.841","0.004","81.039","0.004","82.464","0.004","5706.5","1","193","","193","","","","","","","","","4","P 1","P 1","1","","Ni12(pMPT)24","","- C168 H168 Ni12 S24 -","- C168 H168 Ni12 S24 -","- C168 H168 Ni12 S24 -","1","1","","Xiang, Huixin; Cheng, Ranran; Ruan, Chenhao; Meng, Changqing; Gan, Yuzheng; Cheng, Wanyu; Zhao, Yue; Xu, Cong-Qiao; Li, Jun; Yao, Chuanhao","A homologous series of macrocyclic Ni clusters: synthesis, structures, and catalytic properties.","Nanoscale","2024","16","9","4563","4570","10.1039/d3nr06015b","","x-ray","0.71073","MoKα","","0.1108","0.0892","","","0.2578","0.2765","","","","","","1.022","","","","has coordinates","291008","2024-04-04","23:57:38",""
"1570895","23.683","0.003","27.568","0.004","29.823","0.004","90.121","0.007","90.422","0.007","98.048","0.007","19279","5","193","2","193","","","","","","","","","4","P -1","-P 1","2","","Ni11(pMPT)22","","- C154 H154 Ni11 S22 -","- C154 H154 Ni11 S22 -","- C616 H616 Ni44 S88 -","4","2","","Xiang, Huixin; Cheng, Ranran; Ruan, Chenhao; Meng, Changqing; Gan, Yuzheng; Cheng, Wanyu; Zhao, Yue; Xu, Cong-Qiao; Li, Jun; Yao, Chuanhao","A homologous series of macrocyclic Ni clusters: synthesis, structures, and catalytic properties.","Nanoscale","2024","16","9","4563","4570","10.1039/d3nr06015b","","x-ray","1.34139","GaKα","","0.3337","0.148","","","0.3939","0.4836","","","","","","1.127","","","","has coordinates","299663","2025-05-14","10:18:00",""
"1570943","19.803","0.004","19.885","0.004","32.507","0.007","86.42","0.03","73.32","0.03","62.2","0.03","10808","5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C6.43 H6.89 Ag0.39 Au0.39 Cl0.26 P0.07 Rh0.03 S0.59 -","- C6.39344 H6.81967 Ag0.466852 Au0.320033 Cl0.196721 P0.0655738 Rh0.0327869 S0.590164 -","- C390 H416 Ag28.478 Au19.522 Cl12 P4 Rh2 S36 -","61","30.5","","Han, Sang Myeong; Song, Suhwan; Yi, Hanseok; Sim, Eunji; Lee, Dongil","Synthesis of RhH-doped Au-Ag alloy nanoclusters and dopant evolution.","Nanoscale","2024","16","9","4851","4857","10.1039/d3nr05654f","","","0.8","synchrotron","","0.1146","0.0916","","","0.2592","0.2792","","","","","","1.068","","","","has coordinates,has disorder","291007","2024-04-04","23:56:48",""
"1570944","15.099","0.0018","15.0514","0.0017","15.4881","0.0016","90","","96.33","0.002","90","","3498.4","0.7","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H36 Cl2 O2 -","- C48 H36 Cl2 O2 -","- C192 H144 Cl8 O8 -","4","1","","Yang, Hui; Chen, Guofeng; Zhang, Ran; Zhu, Yanjie; Xiao, Jinchong","Coumarin-embedded [5]helicene derivatives: synthesis, X-ray analysis and photoconducting properties.","Nanoscale","2024","16","10","5395","5400","10.1039/d3nr05887e","","","0.71073","MoKα","","0.1848","0.0898","","","0.1937","0.229","","","","","","1.065","","","","has coordinates","291004","2024-04-04","23:55:56",""
"1570945","18.0865","0.0018","18.3505","0.0019","19.254","0.002","100.696","0.003","102.593","0.003","93.475","0.002","6094.1","1.1","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C38.5 H25.5 O2 -","- C38.5 H25.5 O2 -","- C308 H204 O16 -","8","4","","Yang, Hui; Chen, Guofeng; Zhang, Ran; Zhu, Yanjie; Xiao, Jinchong","Coumarin-embedded [5]helicene derivatives: synthesis, X-ray analysis and photoconducting properties.","Nanoscale","2024","16","10","5395","5400","10.1039/d3nr05887e","","","0.71073","MoKα","","0.2163","0.1126","","","0.2629","0.3034","","","","","","1.088","","","","has coordinates,has disorder","291004","2024-04-04","23:55:56",""
"1571160","14.9481","0.0016","14.9481","0.0016","7.3954","0.0011","90","","90","","120","","1431.1","0.3","99.99","","99.99","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Ba3 Cl P5 -","- Ba3 Cl P4.9995 -","- Ba18 Cl6 P29.997 -","6","0.166667","","Ishtiyak, Mohd; Samarakoon, S M Gayomi K; Kandabadage Don, Thimira; Watts, Spencer R.; Baranets, Sviatoslav","Novel ternary Zintl phosphide halides Ba<sub>3</sub>P<sub>5</sub>X (X = Cl, Br) with 1D helical phosphorus chains: synthesis, crystal and electronic structure.","Nanoscale","2024","16","16","7916","7925","10.1039/d3nr06492a","","","0.71073","MoKα","","0.0299","0.0246","","","0.04","0.0408","","","","","","1.211","","","","has coordinates","291663","2024-05-05","03:40:56",""
"1571161","15.045","0.004","15.045","0.004","7.537","0.003","90","","90","","120","","1477.5","0.8","99.99","","99.99","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Ba3 Br P5 -","- Ba3 Br P4.9995 -","- Ba18 Br6 P29.997 -","6","0.166667","","Ishtiyak, Mohd; Samarakoon, S M Gayomi K; Kandabadage Don, Thimira; Watts, Spencer R.; Baranets, Sviatoslav","Novel ternary Zintl phosphide halides Ba<sub>3</sub>P<sub>5</sub>X (X = Cl, Br) with 1D helical phosphorus chains: synthesis, crystal and electronic structure.","Nanoscale","2024","16","16","7916","7925","10.1039/d3nr06492a","","","0.71073","MoKα","","0.0659","0.0479","","","0.1056","0.1114","","","","","","1.086","","","","has coordinates","291663","2024-05-05","03:41:02",""
"1571162","21.1314","0.0012","20.6403","0.0011","25.9515","0.0014","90","","110.45","0.002","90","","10605.6","1","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C51 H116 Ag11 Cl4 F3 O19 P8 S17 -","- C51 H116 Ag11 Cl4 F3 O19 P8 S17 -","- C204 H464 Ag44 Cl16 F12 O76 P32 S68 -","4","1","","Yen, Wei-Jung; Liao, Jian-Hong; Chiu, Tzu-Hao; Chen, Jie-Ying; Chen, Yuan Jang; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Doping effect on a two-electron silver nanocluster.","Nanoscale","2024","16","14","7011","7018","10.1039/d4nr00326h","","","0.71073","MoKα","","0.0576","0.0426","","","0.1023","0.1128","","","","","","1.053","","","","has coordinates,has disorder","291009","2024-04-04","23:59:30",""
"1571310","15.1491","0.0013","8.24","0.0006","17.97","0.0013","90","","91.932","0.004","90","","2241.9","0.3","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","P2Mac","","- C26 H24 N6 O3 -","- C26 H24 N6 O3 -","- C104 H96 N24 O12 -","4","1","","Pradhan, Nyaya Prakash; Gupta, Sweety; Ghosh, Swapnendu Narayan; Paul, Amit; Talukder, Santanu; Srivastava, Aasheesh","Self-assembly of water-filled molecular saddles to generate diverse morphologies and high proton conductivity.","Nanoscale","2024","16","17","8427","8433","10.1039/d4nr00456f","","","0.71073","MoKα","","0.1239","0.0539","","","0.1107","0.1445","","","","","","1.0134","","","","has coordinates","291662","2024-05-05","03:39:58",""
"1571311","21.5917","0.0004","23.598","0.0005","26.7319","0.0005","95.805","0.002","110.205","0.002","97.054","0.002","12533.9","0.5","150","2","149.99","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C208 H139 Ag12 Au5 F54 Fe4 P8 S9 -","- C208 H139 Ag12 Au5 F54 Fe4 P8 S9 -","- C416 H278 Ag24 Au10 F108 Fe8 P16 S18 -","2","1","","Wang, Jiawei; Ma, Along; Ren, Yonggang; Shen, Xuekairui; Wang, Yifei; Song, Caixia; Wang, Shuxin","An Au<sub>5</sub>Ag<sub>12</sub>(SR)<sub>9</sub>(dppf)<sub>4</sub> alloy nanocluster: structural determination and optical property and photothermal conversion investigation.","Nanoscale","2024","16","18","9047","9054","10.1039/d4nr00312h","","","0.71073","MoKα","","0.1116","0.0736","","","0.1863","0.2037","","","","","","1.093","","","","has coordinates","293180","2024-07-05","17:30:48",""
"1571355","13.1108","0.0012","12.0581","0.0011","18.0846","0.0016","90","","108.199","0.003","90","","2716","0.4","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","silicon bisamidinate","(N,N'-dimethylbutylamidinate)dichlorosilane","","- C22 H46 Cl2 N4 Si -","- C22 H46 Cl2 N4 Si -","- C88 H184 Cl8 N16 Si4 -","4","0.5","","Parker, Megan A.; De Marco, Maria Letizia; Castro-Grijalba, Alexander; Ghoridi, Anissa; Portehault, David; Pechev, Stanislav; Hillard, Elizabeth A.; Lacomme, Sabrina; Bessière, Aurélie; Cunin, Frédérique; Rosa, Patrick; Gonidec, Mathieu; Drisko, Glenna L.","Size-tunable silicon nanoparticles synthesized in solution <i>via</i> a redox reaction.","Nanoscale","2024","16","16","7958","7964","10.1039/d3nr05793c","","","0.71073","MoKα","","0.055","0.033","","","0.0734","0.081","","","","","","1.034","","","","has coordinates","291664","2024-05-05","03:41:27",""
"1571374","6.8843","0.0006","29.823","0.003","10.8712","0.001","90","","102.271","0.003","90","","2181","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 B Fe O4 -","- C24 H27 B Fe O4 -","- C96 H108 B4 Fe4 O16 -","4","1","","Raj, Gowtham; Vasudev, D. S.; Christopher, Sarah; Babulal, Anupama; Harsha, P.; Ram, Soumakanya; Tiwari, Mehul; Sauer, Markus; Varghese, Reji","Multifunctional siRNA/ferrocene/cyclodextrin nanoparticles for enhanced chemodynamic cancer therapy.","Nanoscale","2024","16","7","3755","3763","10.1039/d3nr06071c","","","0.71073","MoKα","","0.0803","0.0549","","","0.1355","0.1498","","","","","","1.075","","","","has coordinates","290786","2024-04-04","11:44:41",""
"1571461","10.9064","0.0005","18.3923","0.0011","10.9552","0.0005","90","","90.901","0.004","90","","2197.27","0.19","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 O2 S2 -","- C28 H24 O2 S2 -","- C112 H96 O8 S8 -","4","1","","Hurtado-Gallego, Juan; van der Poel, Sebastiaan; Blaschke, Matthias; Gallego, Almudena; Hsu, Chunwei; López-Nebreda, Rubén; Mayor, Marcel; Pauly, Fabian; Agraït, Nicolás; van der Zant, Herre S. J.","Benchmarking break-junction techniques: electric and thermoelectric characterization of naphthalenophanes.","Nanoscale","2024","16","22","10751","10759","10.1039/d4nr00704b","","x-ray","1.34143","GaKα","","0.1056","0.0813","","","0.2333","0.2574","","","","","","1.03","","","","has coordinates","293177","2024-07-05","17:28:38",""
"1571521","17.7264","0.0014","19.5316","0.0015","19.7763","0.0013","117.328","0.005","103.867","0.006","98.797","0.006","5624.4","0.9","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C206 H150 Cl4 Cu22 F24 P8 Se16.01 -","- C206 H150 Cl4 Cu22 F24 P8 Se16 -","- C206 H150 Cl4 Cu22 F24 P8 Se16 -","1","0.5","","Zhou, Huimin; Yang, Tao; Deng, Huijuan; Yun, Yapei; Jin, Shan; Xiong, Lin; Zhu, Manzhou","An insight, at the atomic level, into the structure and catalytic properties of the isomers of the Cu<sub>22</sub> cluster.","Nanoscale","2024","16","21","10318","10324","10.1039/d4nr00973h","","","1.54186","CuKα","","0.0331","0.0276","","","0.0693","0.0712","","","","","","1.031","","","","has coordinates","293182","2024-07-05","17:31:20",""
"1571522","20.2077","0.0006","29.3716","0.0009","36.4328","0.0012","90","","90","","90","","21624.1","1.2","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C204 H146 Cu22.06 F24 P8 Se16 -","- C204 H146 Cu22 F24 P8 Se16 -","- C816 H584 Cu88 F96 P32 Se64 -","4","1","","Zhou, Huimin; Yang, Tao; Deng, Huijuan; Yun, Yapei; Jin, Shan; Xiong, Lin; Zhu, Manzhou","An insight, at the atomic level, into the structure and catalytic properties of the isomers of the Cu<sub>22</sub> cluster.","Nanoscale","2024","16","21","10318","10324","10.1039/d4nr00973h","","","1.54186","CuKα","","0.0757","0.0677","","","0.1697","0.1737","","","","","","1.067","","","","has coordinates,has disorder","293182","2024-07-05","17:31:21",""
"1571523","14.9504","0.0003","16.4998","0.0003","19.5731","0.0003","90","","90","","90","","4828.27","0.15","83","2","83","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C54 H121 N8 O49 V18 -","- C54 H121 N8 O49 V18 -","- C108 H242 N16 O98 V36 -","2","0.5","","Yoshida, Isshin; Kikukawa, Yuji; Mitsuhashi, Ryoji; Hayashi, Yoshihito","Reactivity control of nitrate-incorporating octadecavanadates by changing the oxidation state and metal substitution.","Nanoscale","2024","16","22","10584","10589","10.1039/d4nr01243g","","","0.71073","MoKα","","0.0424","0.0362","","","0.0977","0.102","","","","","","1.053","","","","has coordinates,has disorder","293178","2024-07-05","17:28:49",""
"1571563","7.4865","","17.8463","","25.6545","","90","","90","","90","","3427.6","","103","","103","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- Na8.154744 O124.8117 Si60 -","- Na8.156 O124.812 Si60 -","- Na8.156 O124.812 Si60 -","1","0.125","","Örs, Taylan; Deroche, Irena; Chatelard, Corentin; Dodin, Mathias; Martinez-Franco, Raquel; Tuel, Alain; Paillaud, Jean-Louis","Determination of Na+ Cation Locations in Nanozeolite ECR-1 Using a 3D ED Method","Symmetry","2024","16","4","477","","10.3390/sym16040477","","electron","0.02508","electron","","0.5174","0.0966","","","0.1798","0.2245","","","","2.7302","2.7302","0.7976","","","","has coordinates","291713","2024-05-06","01:26:35",""
"1571586","19.1458","0.0002","22.7805","0.0004","23.8161","0.0002","91.223","0.001","94.258","0.001","114.009","0.001","9447.4","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C174 H94 Ag6 Au9 Cl2 F60 P5 -","- C174 H94 Ag6 Au9 Cl2 F60 P5 -","- C348 H188 Ag12 Au18 Cl4 F120 P10 -","2","1","","Deng, Guocheng; Ki, Taeyoung; Yoo, Seungwoo; Liu, Xiaolin; Lee, Kangjae; Bootharaju, Megalamane S.; Hyeon, Taeghwan","[Au<sub>9</sub>Ag<sub>6</sub>(CCR)<sub>10</sub>(DPPM)<sub>2</sub>Cl<sub>2</sub>](PPh<sub>4</sub>): a four-electron cluster with a bi-decahedral twisted metal core.","Nanoscale","2024","16","23","11090","11095","10.1039/d4nr01471e","","x-ray","1.54184","CuKα","","0.0924","0.0771","","","0.1986","0.2098","","","","","","1.019","","","","has coordinates","293181","2024-07-05","17:31:03",""
"1571587","11.6235","0.0003","12.0608","0.0005","16.9201","0.0007","77.785","0.004","87.986","0.003","77.824","0.003","2266.04","0.15","293","","293","","","","","","","","","7","P -1","-P 1","2","","CIH-Zn","","- C34 H24 F N6 O11 P Zn2 -","- C34 H24 F N6 O11 P Zn2 -","- C68 H48 F2 N12 O22 P2 Zn4 -","2","1","","Singh, Avanish Kumar; Singh, Amit Kumar; Sharma, Shashi Kant; Sonkar, Vijay Kumar; Singh, Vinod P.","A highly selective coumarin-based chemosensor for dual sensing of Cu<sup>2+</sup> and Zn<sup>2+</sup> ions with logic gate integration and live cell imaging.","Analytical methods : advancing methods and applications","2024","16","27","4551","4560","10.1039/d4ay00594e","","x-ray","1.54184","CuKα","","0.0821","0.0665","","","0.1947","0.2047","","","","","","1.054","","","","has coordinates","293668","2024-08-05","17:03:34",""
"1571724","20.806","0.0003","32.6834","0.0005","41.5251","0.0008","90","","98.7177","0.0016","90","","27911.3","0.8","293","2","293","2","","","","","","","","12","P 1 21/n 1","-P 2yn","14","","","","- C195 H231.18 Ag22 Cl Cu F12 O34 P12 S11 Sb2 Si W9 -","- C195 H231.186 Ag22 Cl Cu F12 O34 P12 S11 Sb2 Si W9 -","- C780 H924.744 Ag88 Cl4 Cu4 F48 O136 P48 S44 Sb8 Si4 W36 -","4","1","","Zhang, Jing; Dong, Yuanyuan; Deng, Lan; Chi, Manzhou; Feng, Yeqin; Zhao, Mengyun; Lv, Hongjin; Yang, Guo-Yu","Polyoxometalate-mediated syntheses of three structurally new silver clusters.","Nanoscale","2024","16","24","11518","11523","10.1039/d4nr02016b","","","0.71073","MoKα","","0.1655","0.1165","","","0.2989","0.3435","","","","","","1.028","","","","has coordinates,has disorder","293176","2024-07-05","17:28:24",""
"1571725","18.6002","0.0002","22.9769","0.0003","23.2397","0.0003","67.851","0.001","66.927","0.001","78.924","0.001","8451.8","0.2","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C250 Ag16 Co8 N4 O82 P16 S6 Si2 W18 -","- C250 Ag16 Co8 N4 O82 P16 S6 Si2 W18 -","- C250 Ag16 Co8 N4 O82 P16 S6 Si2 W18 -","1","0.5","","Zhang, Jing; Dong, Yuanyuan; Deng, Lan; Chi, Manzhou; Feng, Yeqin; Zhao, Mengyun; Lv, Hongjin; Yang, Guo-Yu","Polyoxometalate-mediated syntheses of three structurally new silver clusters.","Nanoscale","2024","16","24","11518","11523","10.1039/d4nr02016b","","","0.71073","MoKα","","0.0796","0.0495","","","0.1216","0.1383","","","","","","1.021","","","","has coordinates,has disorder","293176","2024-07-05","17:28:24",""
"1571726","21.7876","0.0002","21.8079","0.0002","59.0524","0.0004","86.911","0.001","86.835","0.001","80.006","0.001","27562.3","0.4","180","0.1","180","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C390 H466 Ag48 Cl2 O105.39 P24 S22 Si3 W30 -","- C390 H466 Ag48 Cl2 O105.394 P24 S22 Si3 W30 -","- C780 H932 Ag96 Cl4 O210.788 P48 S44 Si6 W60 -","2","1","","Zhang, Jing; Dong, Yuanyuan; Deng, Lan; Chi, Manzhou; Feng, Yeqin; Zhao, Mengyun; Lv, Hongjin; Yang, Guo-Yu","Polyoxometalate-mediated syntheses of three structurally new silver clusters.","Nanoscale","2024","16","24","11518","11523","10.1039/d4nr02016b","","x-ray","0.71073","MoKα","","0.1564","0.1503","","","0.3286","0.3312","","","","","","1.219","","","","has coordinates,has disorder","293176","2024-07-05","17:28:25",""
"1571780","15.244","0.01","18.456","0.012","18.809","0.007","74.97","0.04","82.45","0.04","88.26","0.05","5066","5","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C110 H136 Au2 Cu6 P2 S6 -","- C110 H136 Au2 Cu6 P2 S6 -","- C220 H272 Au4 Cu12 P4 S12 -","2","1","","Zhang, Di; Pan, Peiyao; Du, Xiaoqin; Kang, Xi; Zhu, Manzhou","Rethinking the stability of metal nanoclusters: the individual <i>versus</i> the collective.","Nanoscale","2024","16","24","11513","11517","10.1039/d4nr01748j","","x-ray","1.54186","CuKα","","0.0658","0.0483","","","0.1164","0.1219","","","","","","0.948","","","","has coordinates","293175","2024-07-05","17:27:20",""
"1571781","21.0039","0.0006","21.0039","0.0006","18.0081","0.0006","90","","90","","120","","6880.2","0.4","120","","120","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C96 H120 Au2 Cu6 P2 S6 -","- C96 H120 Au2 Cu6 P2 S6 -","- C288 H360 Au6 Cu18 P6 S18 -","3","0.166667","","Zhang, Di; Pan, Peiyao; Du, Xiaoqin; Kang, Xi; Zhu, Manzhou","Rethinking the stability of metal nanoclusters: the individual <i>versus</i> the collective.","Nanoscale","2024","16","24","11513","11517","10.1039/d4nr01748j","","x-ray","1.54186","CuKα","","0.0419","0.0386","","","0.1064","0.126","","","","","","1.153","","","","has coordinates","293175","2024-07-05","17:27:21",""
"1571782","20.5977","0.0014","21.1986","0.0013","25.5465","0.0017","66.348","0.002","88.655","0.002","87.214","0.002","10205.5","1.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 Co2 Dy8 K18 Na5 Nb64 O322 P8 -","- C16 Co2 Dy8 K18 Na5 Nb64 O322 P8 -","- C16 Co2 Dy8 K18 Na5 Nb64 O322 P8 -","1","0.5","","Fan, Jin-Ai; Yu, Hao; Lin, Yu-Diao; Qi, Ming-Qiang; Kong, Xiang-Jian; Sun, Cai; Zheng, Shou-Tian","An organophosphate 3d-4f heterometallic polyoxoniobate nanowire.","Nanoscale","2024","16","26","12420","12423","10.1039/d4nr01619j","","","0.71073","MoKα","","0.0584","0.0479","","","0.1329","0.1389","","","","","","1.045","","","","has coordinates","293179","2024-07-05","17:30:04",""
"1571952","8.6676","0.0008","10.309","0.0008","15.1742","0.0013","75.237","0.007","82.715","0.007","71.385","0.008","1241","0.2","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H23 N O2 S2 -","- C28 H23 N O2 S2 -","- C56 H46 N2 O4 S4 -","2","1","","Yan, Shen; Luan, Yuxuan; Xu, Hailiang; Fan, Hao; Martin, León; Gupta, Arvind Kumar; Linke, Heiner; Meyhofer, Edgar; Reddy, Pramod; Pauly, Fabian; Wärnmark, Kenneth","How substituents tune quantum interference in meta-OPE3 molecular junctions to control thermoelectric transport.","Nanoscale","2024","16","29","13905","13914","10.1039/d4nr02188f","","","0.71073","MoKα","","0.1609","0.0584","","","0.0976","0.1383","","","","","","0.981","","","","has coordinates","293880","2024-08-05","19:38:30",""
"1571953","11.7163","0.0007","21.0713","0.0009","10.6802","0.0006","90","","116.822","0.008","90","","2353","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 N O4 S2 -","- C26 H17 N O4 S2 -","- C104 H68 N4 O16 S8 -","4","1","","Yan, Shen; Luan, Yuxuan; Xu, Hailiang; Fan, Hao; Martin, León; Gupta, Arvind Kumar; Linke, Heiner; Meyhofer, Edgar; Reddy, Pramod; Pauly, Fabian; Wärnmark, Kenneth","How substituents tune quantum interference in meta-OPE3 molecular junctions to control thermoelectric transport.","Nanoscale","2024","16","29","13905","13914","10.1039/d4nr02188f","","","0.71073","MoKα","","0.2043","0.0703","","","0.1802","0.2354","","","","","","1.005","","","","has coordinates","293880","2024-08-05","19:38:31",""
"1571954","5.9175","0.0003","5.9175","0.0003","5.9175","0.0003","90","","90","","90","","207.212","0.018","293","2","293","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Methylamonium bromide lead perovskite","","- C H6 Br3 N Pb -","- C0.9984 H5.9904 Br3 He0 N0.9984 Pb -","- C0.9984 H5.9904 Br3 He0 N0.9984 Pb -","1","0.0208333","","Testa, Marianna; De Santis, Antonio; Tinti, Gemma; Paoloni, Alessandro; Papalino, Giuseppe; Felici, Giulietto; Chubinidze, Zaza; Matteocci, Fabio; Auf der Maur, Matthias; Rizzato, Silvia; Lo Presti, Leonardo; Viola, Ilenia; Morganti, Silvio; Rovelli, Chiara","Direct detection of minimum ionizing charged particles in a perovskite single crystal detector with single particle sensitivity.","Nanoscale","2024","16","27","12918","12922","10.1039/d4nr01556h","","","0.71073","MoKα","","0.0106","0.0106","","","0.0305","0.0305","","","","","","1.271","","","","has coordinates,has disorder","293881","2024-08-05","19:38:43",""
"1572127","11.8867","0.00014","13.06844","0.00017","16.4807","0.0002","90","","99.3973","0.0011","90","","2525.77","0.05","170","0.4","170","0.4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H54 Cu6 N12 S6 -","- C42 H54 Cu6 N12 S6 -","- C84 H108 Cu12 N24 S12 -","2","0.5","","Shehzad, Aamir; Cui, Chaonan; Cheng, Ran; Luo, Zhixun","Electrocatalytic nitrogen reduction to ammonia by atomically precise Cu<sub>6</sub> nanoclusters supported on graphene oxide.","Nanoscale","2024","16","30","14441","14447","10.1039/d4nr01984a","","x-ray","1.54184","CuKα","","0.0364","0.0322","","","0.0852","0.0885","","","","","","1.053","","","","has coordinates","294595","2024-09-06","01:34:26",""
"1572131","23.9232","0.0003","26.5335","0.0004","26.9468","0.0004","107.873","0.001","94.163","0.001","99.072","0.001","15942","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C246 H303 Au37 P2 S21 -","- C246 H303 Au37 P2 S21 -","- C492 H606 Au74 P4 S42 -","2","1","","Tan, Yesen; Li, Kang; Xu, Jingjing; Li, Qinzhen; Yang, Sha; Chai, Jinsong; Pei, Yong; Jia, Dianzeng; Zhu, Manzhou","A single-gold-atom addition regulates sharp redshift in the fluorescence of atomically precise nanoclusters.","Nanoscale","2024","16","33","15663","15669","10.1039/d4nr01963f","","","1.54186","CuKα","","0.0778","0.0538","","","0.137","0.1448","","","","","","0.9","","","","has coordinates","294594","2024-09-06","01:34:07",""
"1572206","10.1835","0.0007","12.9146","0.0009","16.303","0.0011","81.259","0.002","87.322","0.002","68.522","0.002","1971.9","0.2","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H24 Ca2 N2 O14.75 -","- C10 H24 Ca2 N2 O14.75 -","- C40 H96 Ca8 N8 O59 -","4","2","","Bhochiya, Rahul; Mondal, Pradip Kumar; Balkrishna, Shah Jaimin","A novel pH-sensitive method for the quantification of Ca<sup>2+</sup> ions by complexometric titration with Na<sub>3</sub>HEDTA.","Analytical methods : advancing methods and applications","2024","16","33","5628","5632","10.1039/d4ay00782d","","","1.54178","CuKα","","0.0554","0.0531","","","0.1423","0.144","","","","","","1.074","","","","has coordinates","301209","2025-07-10","11:18:53",""
"1572311","12.9762","0.0002","22.6922","0.0003","26.2336","0.0003","111.513","0.001","96.002","0.001","96.357","0.001","7053.79","0.18","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C72 H142 Cl18 O50 Sn6 Ti10 -","- C72 H142 Cl18 O50 Sn6 Ti10 -","- C144 H284 Cl36 O100 Sn12 Ti20 -","2","1","","Zhao, Hui-Fang; Liu, Fang-Fang; Ding, Qing-Rong; Wang, Di; Zhang, Jian; Zhang, Lei","Modulated assembly and structural diversity of heterometallic Sn–Ti oxo clusters from inorganic tin precursors","Nanoscale","2024","16","35","16451","16457","10.1039/D4NR02644F","","x-ray","1.3405","GaKα","","0.0513","0.0435","","","0.1061","0.1107","","","","","","1.047","","","","has coordinates","295298","2024-10-06","08:55:42",""
"1572312","9.8568","0.0001","16.8341","0.0003","12.5136","0.0002","90","","92.674","0.001","90","","2074.13","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H25 Cl3 O7 Sn Ti -","- C14 H25 Cl3 O7 Sn Ti -","- C56 H100 Cl12 O28 Sn4 Ti4 -","4","1","","Zhao, Hui-Fang; Liu, Fang-Fang; Ding, Qing-Rong; Wang, Di; Zhang, Jian; Zhang, Lei","Modulated assembly and structural diversity of heterometallic Sn–Ti oxo clusters from inorganic tin precursors","Nanoscale","2024","16","35","16451","16457","10.1039/D4NR02644F","","x-ray","1.3405","GaKα","","0.0416","0.0377","","","0.1028","0.1051","","","","","","1.077","","","","has coordinates","295298","2024-10-06","08:55:42",""
"1572313","9.0964","0.0002","9.3132","0.0002","14.5943","0.0003","73.634","0.002","89.391","0.002","67.044","0.002","1085.42","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C15 H27 Cl3 O7 Sn Ti -","- C15 H27 Cl3 O7 Sn Ti -","- C30 H54 Cl6 O14 Sn2 Ti2 -","2","1","","Zhao, Hui-Fang; Liu, Fang-Fang; Ding, Qing-Rong; Wang, Di; Zhang, Jian; Zhang, Lei","Modulated assembly and structural diversity of heterometallic Sn–Ti oxo clusters from inorganic tin precursors","Nanoscale","2024","16","35","16451","16457","10.1039/D4NR02644F","","x-ray","1.3405","GaKα","","0.0247","0.0241","","","0.0612","0.0616","","","","","","1.043","","","","has coordinates","295298","2024-10-06","08:55:42",""
"1572314","15.6031","0.0001","18.1016","0.0002","29.8915","0.0002","90","","96.58","0.001","90","","8386.97","0.12","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H146 Cl18 O50 Sn6 Ti10 -","- C74 H146 Cl18 O50 Sn6 Ti10 -","- C148 H292 Cl36 O100 Sn12 Ti20 -","2","0.5","","Zhao, Hui-Fang; Liu, Fang-Fang; Ding, Qing-Rong; Wang, Di; Zhang, Jian; Zhang, Lei","Modulated assembly and structural diversity of heterometallic Sn–Ti oxo clusters from inorganic tin precursors","Nanoscale","2024","16","35","16451","16457","10.1039/D4NR02644F","","x-ray","1.3405","GaKα","","0.066","0.0584","","","0.169","0.1766","","","","","","1.033","","","","has coordinates,has disorder","295298","2024-10-06","08:55:42",""
"1572315","8.9852","0.0001","18.3443","0.0002","25.5115","0.0002","90","","95.552","0.001","90","","4185.26","0.07","100","0.1","100","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H48 Cl6 O13 Sn2 Ti2 -","- C24 H48 Cl6 O13 Sn2 Ti2 -","- C96 H192 Cl24 O52 Sn8 Ti8 -","4","1","","Zhao, Hui-Fang; Liu, Fang-Fang; Ding, Qing-Rong; Wang, Di; Zhang, Jian; Zhang, Lei","Modulated assembly and structural diversity of heterometallic Sn–Ti oxo clusters from inorganic tin precursors","Nanoscale","2024","16","35","16451","16457","10.1039/D4NR02644F","","x-ray","1.3405","GaKα","","0.0337","0.0333","","","0.089","0.0894","","","","","","1.048","","","","has coordinates","295298","2024-10-06","08:55:42",""
"1572316","12.3168","0.0004","14.0058","0.0004","15.4344","0.0003","110.064","0.002","92.418","0.002","112.772","0.003","2258.45","0.13","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H88 Cl6 O26 Sn2 Ti6 -","- C48 H88 Cl6 O26 Sn2 Ti6 -","- C48 H88 Cl6 O26 Sn2 Ti6 -","1","0.5","","Zhao, Hui-Fang; Liu, Fang-Fang; Ding, Qing-Rong; Wang, Di; Zhang, Jian; Zhang, Lei","Modulated assembly and structural diversity of heterometallic Sn–Ti oxo clusters from inorganic tin precursors","Nanoscale","2024","16","35","16451","16457","10.1039/D4NR02644F","","x-ray","1.3405","GaKα","","0.0687","0.062","","","0.1759","0.1815","","","","","","1.077","","","","has coordinates","295298","2024-10-06","08:55:42",""
"1572317","15.2738","0.0002","23.1167","0.0002","23.1453","0.0002","90","","106.909","0.001","90","","7818.84","0.15","100","0.13","100","0.13","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H178 Cl14 O54 Sn6 Ti14 -","- C96 H178 Cl14 O54 Sn6 Ti14 -","- C192 H356 Cl28 O108 Sn12 Ti28 -","2","0.5","","Zhao, Hui-Fang; Liu, Fang-Fang; Ding, Qing-Rong; Wang, Di; Zhang, Jian; Zhang, Lei","Modulated assembly and structural diversity of heterometallic Sn–Ti oxo clusters from inorganic tin precursors","Nanoscale","2024","16","35","16451","16457","10.1039/D4NR02644F","","x-ray","1.3405","GaKα","","0.075","0.0638","","","0.1778","0.1872","","","","","","1.054","","","","has coordinates,has disorder","295298","2024-10-06","08:55:42",""
"1572318","41.7993","0.0002","41.7993","0.0002","41.7993","0.0002","90","","90","","90","","73031","0.6","100","0.17","100","0.17","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C144 H264 Cl12 O82 Sn8 Ti20 -","- C144 H264 Cl12 O82 Sn8 Ti20 -","- C1728 H3168 Cl144 O984 Sn96 Ti240 -","12","0.25","","Zhao, Hui-Fang; Liu, Fang-Fang; Ding, Qing-Rong; Wang, Di; Zhang, Jian; Zhang, Lei","Modulated assembly and structural diversity of heterometallic Sn–Ti oxo clusters from inorganic tin precursors","Nanoscale","2024","16","35","16451","16457","10.1039/D4NR02644F","","x-ray","1.3405","GaKα","","0.1229","0.0936","","","0.2343","0.262","","","","","","1.045","","","","has coordinates","295298","2024-10-06","08:55:42",""
"1572365","19.6392","0.0002","19.8263","0.0002","20.3821","0.0002","67.042","0.001","62.657","0.001","75.865","0.001","6470.59","0.13","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C232 H128 Ag19 Cl6 Cu2 F72 P6 -","- C232 H128 Ag19 Cl6 Cu2 F72 P6 -","- C232 H128 Ag19 Cl6 Cu2 F72 P6 -","1","0.5","","Zhu, Xin; Zhu, Pan; Cong, Xuzi; Ma, Guanyu; Tang, Qing; Wang, Likai; Tang, Zhenghua","Atomically precise alkynyl-protected Ag<sub>19</sub>Cu<sub>2</sub> nanoclusters: synthesis, structure analysis, and electrocatalytic CO<sub>2</sub> reduction application.","Nanoscale","2024","16","36","16952","16957","10.1039/d4nr02702g","","x-ray","0.71073","MoKα","","0.1546","0.106","","","0.244","0.2754","","","","","","1.017","","","","has coordinates,has disorder","295297","2024-10-06","08:54:52",""
"1572411","23.198","0.003","23.198","0.003","22.087","0.003","90","","90","","120","","10294","2","77","2","77","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C52 H60 In N3 O28 Rh12 -","- C52 H60 In N3 O28 Rh12 -","- C312 H360 In6 N18 O168 Rh72 -","6","0.166667","","Bussoli, Guido; Boccalini, Alberto; Bortoluzzi, Marco; Cesari, Cristiana; Iapalucci, Maria Carmela; Funaioli, Tiziana; Scorzoni, Giorgia; Zacchini, Stefano; Ruggieri, Silvia; Femoni, Cristina","Atomically precise rhodium-indium carbonyl nanoclusters: synthesis, characterization, crystal structure and electron-sponge features.","Nanoscale","2024","16","38","17852","17867","10.1039/d4nr02922d","","","0.71073","MoKα","","0.1391","0.1351","","","0.2688","0.2704","","","","","","1.376","","","","has coordinates","295300","2024-10-06","08:56:40",""
"1572412","19.5591","0.0011","17.8943","0.001","13.8681","0.0008","90","","90","","90","","4853.8","0.5","77","2","77","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C34 H46 Cl3 In N2 O16 Rh6 -","- C34 H46 Cl3 In N2 O16 Rh6 -","- C136 H184 Cl12 In4 N8 O64 Rh24 -","4","0.5","","Bussoli, Guido; Boccalini, Alberto; Bortoluzzi, Marco; Cesari, Cristiana; Iapalucci, Maria Carmela; Funaioli, Tiziana; Scorzoni, Giorgia; Zacchini, Stefano; Ruggieri, Silvia; Femoni, Cristina","Atomically precise rhodium-indium carbonyl nanoclusters: synthesis, characterization, crystal structure and electron-sponge features.","Nanoscale","2024","16","38","17852","17867","10.1039/d4nr02922d","","","0.71073","MoKα","","0.053","0.045","","","0.0809","0.0838","","","","","","1.204","","","","has coordinates","295300","2024-10-06","08:56:41",""
"1572413","17.3907","0.0018","10.053","0.0011","22.894","0.002","90","","95.836","0.003","90","","3981.8","0.7","76","2","76","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H60 Cl4 In2 N2 O34 Rh12 -","- C54 H60 Cl4 In2 N2 O34 Rh12 -","- C108 H120 Cl8 In4 N4 O68 Rh24 -","2","0.5","","Bussoli, Guido; Boccalini, Alberto; Bortoluzzi, Marco; Cesari, Cristiana; Iapalucci, Maria Carmela; Funaioli, Tiziana; Scorzoni, Giorgia; Zacchini, Stefano; Ruggieri, Silvia; Femoni, Cristina","Atomically precise rhodium-indium carbonyl nanoclusters: synthesis, characterization, crystal structure and electron-sponge features.","Nanoscale","2024","16","38","17852","17867","10.1039/d4nr02922d","","","0.71073","MoKα","","0.0801","0.0611","","","0.1255","0.1326","","","","","","1.144","","","","has coordinates","295300","2024-10-06","08:56:41",""
"1572414","19.6586","0.0011","18.1826","0.001","13.5943","0.0007","90","","90","","90","","4859.2","0.5","77","2","77","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C33 H43 Cl3 In N3 O15 Rh6 -","- C33 H43 Cl3 In N3 O15 Rh6 -","- C132 H172 Cl12 In4 N12 O60 Rh24 -","4","0.5","","Bussoli, Guido; Boccalini, Alberto; Bortoluzzi, Marco; Cesari, Cristiana; Iapalucci, Maria Carmela; Funaioli, Tiziana; Scorzoni, Giorgia; Zacchini, Stefano; Ruggieri, Silvia; Femoni, Cristina","Atomically precise rhodium-indium carbonyl nanoclusters: synthesis, characterization, crystal structure and electron-sponge features.","Nanoscale","2024","16","38","17852","17867","10.1039/d4nr02922d","","","0.71073","MoKα","","0.019","0.0184","","","0.0449","0.0452","","","","","","1.367","","","","has coordinates","295300","2024-10-06","08:56:41",""
"1572445","27.2908","0.0004","12.83961","0.00018","28.6407","0.0004","90","","94.7195","0.0014","90","","10001.8","0.2","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C86 H104 Cu4 Li4 O32 Si12 -","- C86 H104 Cu4 Li4 O32 Si12 -","- C344 H416 Cu16 Li16 O128 Si48 -","4","1","","Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di","Rational (supra)molecular design and catalytic activity of cage-like Cu<sub>4</sub>-based phenylsilsesquioxanes.","Nanoscale","2024","16","39","18389","18398","10.1039/d4nr02173h","","","1.54184","CuKα","","0.108","0.0684","","","0.1544","0.178","","","","","","1.074","","","","has coordinates","301209","2025-07-10","11:18:53",""
"1572446","21.04564","0.00012","19.44883","0.00009","12.70519","0.00007","90","","90","","90","","5200.4","0.05","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C88 H108 Cu4 Na4 O32 Si12 -","- C88 H108 Cu4 Na4 O32 Si12 -","- C176 H216 Cu8 Na8 O64 Si24 -","2","0.5","","Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di","Rational (supra)molecular design and catalytic activity of cage-like Cu<sub>4</sub>-based phenylsilsesquioxanes.","Nanoscale","2024","16","39","18389","18398","10.1039/d4nr02173h","","","1.54184","CuKα","","0.0453","0.0432","","","0.1192","0.1221","","","","","","1.029","","","","has coordinates","296620","2024-12-06","20:07:07",""
"1572447","19.845","0.0018","12.724","0.0011","20.372","0.0019","90","","90.369","0.009","90","","5144","0.8","100","2","100","2","","","","","","","","7","P 1 2 1","P 2y","3","","","","- C170.4 H192.8 Cu8 N4 Na8 O60 Si24 -","- C170.4 H192.8 Cu8 N4 Na8 O60 Si24 -","- C170.4 H192.8 Cu8 N4 Na8 O60 Si24 -","1","0.5","","Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di","Rational (supra)molecular design and catalytic activity of cage-like Cu<sub>4</sub>-based phenylsilsesquioxanes.","Nanoscale","2024","16","39","18389","18398","10.1039/d4nr02173h","","","0.79313","synchrotron","","0.1028","0.0655","","","0.1576","0.1816","","","","","","1.001","","","","has coordinates,has disorder","296620","2024-12-06","20:07:07",""
"1572448","39.983","0.004","12.6858","0.0004","28.308","0.003","90","","132.083","0.016","90","","10656","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C92 H108 Cu4 Na4 O32 Si12 -","- C92 H108 Cu4 Na4 O32 Si12 -","- C368 H432 Cu16 Na16 O128 Si48 -","4","0.5","","Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di","Rational (supra)molecular design and catalytic activity of cage-like Cu<sub>4</sub>-based phenylsilsesquioxanes.","Nanoscale","2024","16","39","18389","18398","10.1039/d4nr02173h","","","1.54184","CuKα","","0.1523","0.1205","","","0.2508","0.2734","","","","","","1.032","","","","has coordinates","296620","2024-12-06","20:07:07",""
"1572449","39.0587","0.0014","12.8552","0.0002","29.1768","0.001","90","","133.137","0.006","90","","10690.3","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C92 H112 Cu4 Na4 O30 Si12 -","- C92 H112 Cu4 Na4 O30 Si12 -","- C368 H448 Cu16 Na16 O120 Si48 -","4","0.5","","Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di","Rational (supra)molecular design and catalytic activity of cage-like Cu<sub>4</sub>-based phenylsilsesquioxanes.","Nanoscale","2024","16","39","18389","18398","10.1039/d4nr02173h","","","1.54184","CuKα","","0.0906","0.0715","","","0.1823","0.2004","","","","","","1.077","","","","has coordinates,has disorder","296620","2024-12-06","20:07:07",""
"1572450","43.4569","0.0002","40.1289","0.0002","12.69074","0.00009","90","","90","","90","","22131.1","0.2","100","2","100","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C96 H108 Cu4 Na4 O32 Si12 -","- C96 H108 Cu4 Na4 O32 Si12 -","- C768 H864 Cu32 Na32 O256 Si96 -","8","0.25","","Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di","Rational (supra)molecular design and catalytic activity of cage-like Cu<sub>4</sub>-based phenylsilsesquioxanes.","Nanoscale","2024","16","39","18389","18398","10.1039/d4nr02173h","","","1.54184","CuKα","","0.1003","0.0966","","","0.2326","0.2351","","","","","","1.055","","","","has coordinates,has disorder","296620","2024-12-06","20:07:07",""
"1572451","30.83614","0.00011","12.82684","0.00004","25.03897","0.00009","90","","99.0014","0.0003","90","","9781.7","0.06","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H45 Cu2 K2 N O14 Si6 -","- C42 H45 Cu2 K2 N O14 Si6 -","- C336 H360 Cu16 K16 N8 O112 Si48 -","8","1","","Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di","Rational (supra)molecular design and catalytic activity of cage-like Cu<sub>4</sub>-based phenylsilsesquioxanes.","Nanoscale","2024","16","39","18389","18398","10.1039/d4nr02173h","","","1.54184","CuKα","","0.0396","0.038","","","0.1077","0.1094","","","","","","1.063","","","","has coordinates,has disorder","296620","2024-12-06","20:07:07",""
"1572452","14.3054","0.0007","27.8536","0.0013","26.1938","0.0008","90","","98.087","0.004","90","","10333.3","0.8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C321 H328 Cu16 K16 N8 O111 Si48 -","- C321 H328 Cu16 K16 N8 O111 Si48 -","- C321 H328 Cu16 K16 N8 O111 Si48 -","1","0.125","","Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di","Rational (supra)molecular design and catalytic activity of cage-like Cu<sub>4</sub>-based phenylsilsesquioxanes.","Nanoscale","2024","16","39","18389","18398","10.1039/d4nr02173h","","","1.54184","CuKα","","0.1494","0.1151","","","0.2079","0.2231","","","","","","1.036","","","","has coordinates,has disorder","296620","2024-12-06","20:07:07",""
"1572453","25.30185","0.00015","25.30185","0.00015","14.9684","0.00016","90","","90","","90","","9582.52","0.13","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C20 H21 Cu O7 Rb Si3 -","- C20 H21 Cu O7 Rb Si3 -","- C320 H336 Cu16 O112 Rb16 Si48 -","16","1","","Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di","Rational (supra)molecular design and catalytic activity of cage-like Cu<sub>4</sub>-based phenylsilsesquioxanes.","Nanoscale","2024","16","39","18389","18398","10.1039/d4nr02173h","","","0.71073","MoKα","","0.0433","0.0386","","","0.0888","0.0915","","","","","","1.027","","","","has coordinates","296620","2024-12-06","20:07:07",""
"1572454","30.9509","0.0003","12.2263","0.00013","34.6851","0.0004","90","","111.938","0.0014","90","","12174.9","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C102 H120 Cu4 K4 O34 Si12 -","- C102 H120 Cu4 K4 O34 Si12 -","- C408 H480 Cu16 K16 O136 Si48 -","4","0.5","","Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di","Rational (supra)molecular design and catalytic activity of cage-like Cu<sub>4</sub>-based phenylsilsesquioxanes.","Nanoscale","2024","16","39","18389","18398","10.1039/d4nr02173h","","","1.54184","CuKα","","0.0663","0.0596","","","0.1527","0.1589","","","","","","1.051","","","","has coordinates","296620","2024-12-06","20:07:07",""
"1572455","26.049","0.0003","26.049","0.0003","15.734","0.0002","90","","90","","90","","10676.3","0.2","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C20 H21 Cs Cu O7 Si3 -","- C20 H21 Cs Cu O7 Si3 -","- C320 H336 Cs16 Cu16 O112 Si48 -","16","1","","Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di","Rational (supra)molecular design and catalytic activity of cage-like Cu<sub>4</sub>-based phenylsilsesquioxanes.","Nanoscale","2024","16","39","18389","18398","10.1039/d4nr02173h","","","0.71073","MoKα","","0.1828","0.172","","","0.3497","0.3543","","","","","","1.014","","","","has coordinates,has disorder","296620","2024-12-06","20:07:07",""
"1572456","35.912","0.002","14.9169","0.0007","25.534","0.0017","90","","135.192","0.001","90","","9639.7","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H84 Cu4 O28 Rb4 Si12 -","- C80 H84 Cu4 O28 Rb4 Si12 -","- C320 H336 Cu16 O112 Rb16 Si48 -","4","0.5","","Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di","Rational (supra)molecular design and catalytic activity of cage-like Cu<sub>4</sub>-based phenylsilsesquioxanes.","Nanoscale","2024","16","39","18389","18398","10.1039/d4nr02173h","","","0.71073","MoKα","","0.1749","0.11","","","0.2105","0.2458","","","","","","1","","","","has coordinates,has disorder","296620","2024-12-06","20:07:07",""
"1572457","12.853","0.003","38.608","0.008","21.007","0.004","90","","105.56","0.03","90","","10042","4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C84 H88 Cu4 N4 O28 Rb4 Si12 -","- C84 H88 Cu4 N4 O28 Rb4 Si12 -","- C336 H352 Cu16 N16 O112 Rb16 Si48 -","4","1","","Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di","Rational (supra)molecular design and catalytic activity of cage-like Cu<sub>4</sub>-based phenylsilsesquioxanes.","Nanoscale","2024","16","39","18389","18398","10.1039/d4nr02173h","","","0.745","synchrotron","","0.0545","0.0365","","","0.0867","0.0953","","","","","","1.012","","","","has coordinates","296620","2024-12-06","20:07:07",""
"1572458","35.542","0.003","12.527","0.0008","25.4243","0.0019","90","","118.589","0.009","90","","9939.6","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C160 H184 Cu8 Na8 O64 Si24 -","- C160 H184 Cu8 Na8 O64 Si24 -","- C320 H368 Cu16 Na16 O128 Si48 -","2","0.25","","Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di","Rational (supra)molecular design and catalytic activity of cage-like Cu<sub>4</sub>-based phenylsilsesquioxanes.","Nanoscale","2024","16","39","18389","18398","10.1039/d4nr02173h","","","0.745","synchrotron","","0.1013","0.0657","","","0.1648","0.1881","","","","","","1.024","","","","has coordinates,has disorder","296620","2024-12-06","20:07:07",""
"1572459","24.8722","0.0009","24.8722","0.0009","14.8974","0.0007","90","","90","","90","","9215.9","0.6","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C20 H21 Cu K O7 Si3 -","- C20 H21 Cu K O7 Si3 -","- C320 H336 Cu16 K16 O112 Si48 -","16","1","","Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di","Rational (supra)molecular design and catalytic activity of cage-like Cu<sub>4</sub>-based phenylsilsesquioxanes.","Nanoscale","2024","16","39","18389","18398","10.1039/d4nr02173h","","","0.71073","MoKα","","0.1302","0.0874","","","0.1791","0.2082","","","","","","1.047","","","","has coordinates","296620","2024-12-06","20:07:07",""
"1572460","51.9802","0.0004","51.9802","0.0004","15.7632","0.0002","90","","90","","90","","42591.2","0.7","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C83.5 H94.5 Cs4 Cu4 O29.75 Si12 -","- C83.5 H94.5 Cs4 Cu4 O29.75 Si12 -","- C1336 H1512 Cs64 Cu64 O476 Si192 -","16","1","","Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di","Rational (supra)molecular design and catalytic activity of cage-like Cu<sub>4</sub>-based phenylsilsesquioxanes.","Nanoscale","2024","16","39","18389","18398","10.1039/d4nr02173h","","","1.54184","CuKα","","0.1219","0.0819","","","0.1997","0.2262","","","","","","1.078","","","","has coordinates","296620","2024-12-06","20:07:07",""
"1572461","31.5879","0.001","12.4253","0.0003","25.4831","0.0005","90","","99.023","0.002","90","","9878.1","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C77 H85 Cu4 Na4 O31.5 Si12 -","- C77 H85 Cu4 Na4 O31.5 Si12 -","- C308 H340 Cu16 Na16 O126 Si48 -","4","0.5","","Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di","Rational (supra)molecular design and catalytic activity of cage-like Cu<sub>4</sub>-based phenylsilsesquioxanes.","Nanoscale","2024","16","39","18389","18398","10.1039/d4nr02173h","","","0.71073","MoKα","","0.1591","0.0981","","","0.1731","0.194","","","","","","1.059","","","","has coordinates,has disorder","296620","2024-12-06","20:07:07",""
"1572462","42.5782","0.0011","12.84264","0.00011","28.6065","0.0007","90","","136.955","0.005","90","","10677.1","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C92 H112 Cu4 Na4 O30 Si12 -","- C92 H112 Cu4 Na4 O30 Si12 -","- C368 H448 Cu16 Na16 O120 Si48 -","4","0.5","","Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di","Rational (supra)molecular design and catalytic activity of cage-like Cu<sub>4</sub>-based phenylsilsesquioxanes.","Nanoscale","2024","16","39","18389","18398","10.1039/d4nr02173h","","","1.54184","CuKα","","0.0908","0.0819","","","0.2056","0.2125","","","","","","1.072","","","","has coordinates,has disorder","296620","2024-12-06","20:07:07",""
"1572463","14.7418","0.0002","27.4918","0.0005","26.7963","0.0004","90","","99.7402","0.0015","90","","10703.4","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C85.5 H90 Cu4 O30 Rb4 Si12 -","- C85.5 H90 Cu4 O30 Rb4 Si12 -","- C342 H360 Cu16 O120 Rb16 Si48 -","4","0.5","","Zueva, Anna Y.; Bilyachenko, Alexey N.; Khrustalev, Victor N.; Shul'pina, Lidia S.; Ikonnikov, Nikolay S.; Dorovatovskii, Pavel V.; Shubina, Elena S.; Ragimov, Karim; Lobanov, Nikolai N.; Sun, Di","Rational (supra)molecular design and catalytic activity of cage-like Cu<sub>4</sub>-based phenylsilsesquioxanes.","Nanoscale","2024","16","39","18389","18398","10.1039/d4nr02173h","","","0.71073","MoKα","","0.0799","0.0503","","","0.1197","0.1304","","","","","","1.024","","","","has coordinates,has disorder","296620","2024-12-06","20:07:07",""
"1572496","13.067","0.003","13.067","0.003","13.365","0.004","90","","90","","120","","1976.3","0.9","291.15","","291.15","","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- C18.67 H24.67 Cu3 N O2.67 -","- C18.6666 H24.6664 Cu3 N O2.6666 -","- C55.9998 H73.9992 Cu9 N3 O7.9998 -","3","0.5","","Liu, Zheng; Fang, Jun-Jie; Wang, Zhi-Yi; Xie, Yun-Peng; Lu, Xing","Structural diversity of copper(i) alkynyl cluster-based coordination polymers utilizing bifunctional pyridine carboxylic acid ligands","Nanoscale","2024","16","38","17817","17824","10.1039/D4NR02543A","","","0.71073","MoKα","","0.0879","0.057","","","0.1457","0.1768","","","","","","1.073","","","","has coordinates,has disorder","295299","2024-10-06","08:56:16",""
"1572497","12.6843","0.001","14.1427","0.0009","14.7359","0.001","115.22","0.003","97.199","0.002","111.483","0.002","2097.4","0.3","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H43 Cu6 F6 N O4 -","- C39 H43 Cu6 F6 N O4 -","- C78 H86 Cu12 F12 N2 O8 -","2","1","","Liu, Zheng; Fang, Jun-Jie; Wang, Zhi-Yi; Xie, Yun-Peng; Lu, Xing","Structural diversity of copper(i) alkynyl cluster-based coordination polymers utilizing bifunctional pyridine carboxylic acid ligands","Nanoscale","2024","16","38","17817","17824","10.1039/D4NR02543A","","","0.71073","MoKα","","0.1309","0.1275","","","0.3268","0.338","","","","","","1.066","","","","has coordinates,has disorder","295299","2024-10-06","08:56:16",""
"1572498","11.6633","0.0007","18.9908","0.0012","20.1994","0.0013","81.451","0.002","89.413","0.002","74.577","0.002","4263","0.5","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H78 Cu10 F6 N6 O14 -","- C68 H60 Cu10 F6 N4 O12 -","- C136 H120 Cu20 F12 N8 O24 -","2","1","","Liu, Zheng; Fang, Jun-Jie; Wang, Zhi-Yi; Xie, Yun-Peng; Lu, Xing","Structural diversity of copper(i) alkynyl cluster-based coordination polymers utilizing bifunctional pyridine carboxylic acid ligands","Nanoscale","2024","16","38","17817","17824","10.1039/D4NR02543A","","x-ray","0.71073","MoKα","","0.0868","0.0721","","","0.1925","0.2119","","","","","","1.052","","","","has coordinates","295299","2024-10-06","08:56:16",""
"1572499","13.1388","0.0012","13.5488","0.0015","14.2759","0.0013","62.883","0.003","80.888","0.003","70.396","0.003","2130.8","0.4","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H84 Cu13 F6 N3 O10 -","- C70 H84 Cu13 F6 N3 O10 -","- C70 H84 Cu13 F6 N3 O10 -","1","0.5","","Liu, Zheng; Fang, Jun-Jie; Wang, Zhi-Yi; Xie, Yun-Peng; Lu, Xing","Structural diversity of copper(i) alkynyl cluster-based coordination polymers utilizing bifunctional pyridine carboxylic acid ligands","Nanoscale","2024","16","38","17817","17824","10.1039/D4NR02543A","","","0.71073","synchrotron","","0.1227","0.0772","","","0.2312","0.2662","","","","","","1.07","","","","has coordinates,has disorder","295299","2024-10-06","08:56:16",""
"1572500","14.8797","0.0009","15.9071","0.0009","19.7103","0.0013","98.802","0.002","109.142","0.002","108.741","0.002","3995.8","0.4","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C64.42 H69.04 Cu11 F12 N3.12 O10.17 -","- C64 H68 Cu11 F12 N3 O10 -","- C128 H136 Cu22 F24 N6 O20 -","2","1","","Liu, Zheng; Fang, Jun-Jie; Wang, Zhi-Yi; Xie, Yun-Peng; Lu, Xing","Structural diversity of copper(i) alkynyl cluster-based coordination polymers utilizing bifunctional pyridine carboxylic acid ligands","Nanoscale","2024","16","38","17817","17824","10.1039/D4NR02543A","","x-ray","0.71073","MoKα","","0.0615","0.0368","","","0.0935","0.104","","","","","","1.047","","","","has coordinates,has disorder","295299","2024-10-06","08:56:16",""
"1572501","23.8539","0.0002","15.6243","0.0001","24.1728","0.0002","90","","108.495","0.001","90","","8543.9","0.12","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78.19 H88 Cu12.5 F7.66 N2 O9.91 -","- C78.176 H88 Cu12.504 F7.662 N2 O9.908 -","- C312.704 H352 Cu50.016 F30.648 N8 O39.632 -","4","0.5","","Liu, Zheng; Fang, Jun-Jie; Wang, Zhi-Yi; Xie, Yun-Peng; Lu, Xing","Structural diversity of copper(i) alkynyl cluster-based coordination polymers utilizing bifunctional pyridine carboxylic acid ligands","Nanoscale","2024","16","38","17817","17824","10.1039/D4NR02543A","","x-ray","1.54184","CuKα","","0.0497","0.0484","","","0.1385","0.1395","","","","","","1.099","","","","has coordinates,has disorder","295299","2024-10-06","08:56:16",""
"1572502","13.3217","0.0005","14.0632","0.0005","14.6193","0.0006","62.395","0.001","81.888","0.001","64.942","0.001","2193.45","0.15","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H45 Cu6 F6 N O4 -","- C41 H45 Cu6 F6 N O4 -","- C82 H90 Cu12 F12 N2 O8 -","2","1","","Liu, Zheng; Fang, Jun-Jie; Wang, Zhi-Yi; Xie, Yun-Peng; Lu, Xing","Structural diversity of copper(i) alkynyl cluster-based coordination polymers utilizing bifunctional pyridine carboxylic acid ligands","Nanoscale","2024","16","38","17817","17824","10.1039/D4NR02543A","","","0.71073","MoKα","","0.0435","0.0425","","","0.1447","0.1462","","","","","","1.079","","","","has coordinates,has disorder","295299","2024-10-06","08:56:16",""
"1572503","24.31","0.003","18.092","0.0019","18.612","0.002","90","","94.883","0.004","90","","8156.2","1.6","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69.76 H90 Cu12 F6 N2 O8 -","- C69.762 H90 Cu12 F6 N2 O8 -","- C279.048 H360 Cu48 F24 N8 O32 -","4","1","","Liu, Zheng; Fang, Jun-Jie; Wang, Zhi-Yi; Xie, Yun-Peng; Lu, Xing","Structural diversity of copper(i) alkynyl cluster-based coordination polymers utilizing bifunctional pyridine carboxylic acid ligands","Nanoscale","2024","16","38","17817","17824","10.1039/D4NR02543A","","","0.71073","MoKα","","0.0751","0.0672","","","0.1812","0.1952","","","","","","1.099","","","","has coordinates,has disorder","295299","2024-10-06","08:56:16",""
"1572504","13.0606","0.0008","23.9965","0.0014","28.2045","0.0016","90","","90","","90","","8839.5","0.9","273.15","","273.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C76 H84 Cu14 F12 N2 O12 -","- C76 H84 Cu14 F12 N2 O12 -","- C304 H336 Cu56 F48 N8 O48 -","4","1","","Liu, Zheng; Fang, Jun-Jie; Wang, Zhi-Yi; Xie, Yun-Peng; Lu, Xing","Structural diversity of copper(i) alkynyl cluster-based coordination polymers utilizing bifunctional pyridine carboxylic acid ligands","Nanoscale","2024","16","38","17817","17824","10.1039/D4NR02543A","","","0.71073","MoKα","","0.0841","0.0689","","","0.1647","0.177","","","","","","1.086","","","","has coordinates,has disorder","295299","2024-10-06","08:56:16",""
"1572542","10.9657","0.0004","10.9657","0.0004","19.0815","0.001","90","","90","","120","","1987.08","0.15","304","","304","","","","","","","","","5","P 65","P 65","170","","","","- C11 H12 N2 O5 Zn -","- C11 H12 N2 O5 Zn -","- C66 H72 N12 O30 Zn6 -","6","1","","Song, Ting; Zhu, Yinning; Li, Zhehao; Mei, Zhewei; Shao, Zhen-Wu; Liu, Chong","A Robust Zn-Hydroxamate Metal–Organic Framework Constructed from an Unsymmetrical Ligand for Iodine Capture","Symmetry","2024","16","8","1049","","10.3390/sym16081049","","","0.71073","MoKα","","0.0527","0.0396","","","0.0927","0.0981","","","","","","1.034","","","","has coordinates","294672","2024-09-07","02:23:16",""
"1572581","32.2143","0.0003","32.2143","0.0003","27.1465","0.0004","90","","90","","90","","28171.6","0.6","100","2","100","2","","","","","","","","4","I 4/m","-I 4","87","","","","- Ag30 O184 P8 W48 -","- Ag30 O184 P8 W48 -","- Ag60 O368 P16 W96 -","2","0.125","","Yanai, Daiki; Yonesato, Kentaro; Kikkawa, Soichi; Yamazoe, Seiji; Yamaguchi, Kazuya; Suzuki, Kosuke","Electronic state modulation of Ag<sub>30</sub> nanoclusters within a ring-shaped polyoxometalate.","Nanoscale","2024","16","39","18383","18388","10.1039/d4nr02547d","","","0.41344","Synchrotron","","0.0802","0.0668","","","0.2262","0.2497","","","","","","1.04","","","","has coordinates,has disorder","296619","2024-12-06","20:05:27",""
"1572673","15.4569","0.0004","8.0238","0.0002","17.5833","0.0005","90","","92.358","0.003","90","","2178.89","0.1","130","2","130","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Cu2 N14 O8 -","- C40 H44 Cu2 N14 O8 -","- C80 H88 Cu4 N28 O16 -","2","0.5","","Zabierowski, Piotr W.; Děkanovský, Lukáš; Mazánek, Vlastimil; Hodorowicz, Maciej; Sofer, Zdeněk","Functionalisation of graphite and thermally reduced graphene oxide with bis-hydrazone copper(I) nitrate salt.","Nanoscale","2024","16","40","18805","18810","10.1039/d4nr03456b","","x-ray","0.71073","MoKα","","0.0863","0.0468","","","0.0866","0.1009","","","","","","1.001","","","","has coordinates","296623","2024-12-06","20:08:16",""
"1572674","17.9682","0.0003","9.4647","0.0001","23.1812","0.0005","90","","90","","90","","3942.28","0.12","130","2","130","0.02","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Cu N8 O6 -","- C18 H16 Cu N8 O6 -","- C144 H128 Cu8 N64 O48 -","8","1","","Zabierowski, Piotr W.; Děkanovský, Lukáš; Mazánek, Vlastimil; Hodorowicz, Maciej; Sofer, Zdeněk","Functionalisation of graphite and thermally reduced graphene oxide with bis-hydrazone copper(I) nitrate salt.","Nanoscale","2024","16","40","18805","18810","10.1039/d4nr03456b","","x-ray","0.71073","MoKα","","0.0536","0.0402","","","0.0866","0.0934","","","","","","1.079","","","","has coordinates,has disorder","296623","2024-12-06","20:08:17",""
"1572720","4.7117","0.0002","15.8669","0.0008","22.3016","0.0012","90","","90","","90","","1667.27","0.14","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N4 O2 S -","- C17 H18 N4 O2 S -","- C68 H72 N16 O8 S4 -","4","1","","Yan, Xiaosheng; Weng, Peimin; Cao, Jinlian; Lin, Kexin; Qi, Yuanwei; Wu, Xin; Jiang, Yun-Bao","Simultaneous formation of helical and sheet-like assemblies from short azapeptides enables spontaneous resolution.","Nanoscale","2024","16","41","19221","19227","10.1039/d4nr02872d","","","0.71073","MoKα","","0.0377","0.0329","","","0.0727","0.0759","","","","","","1.065","","","","has coordinates","296616","2024-12-06","20:04:34",""
"1572721","11.7516","0.0002","8.5624","0.0001","18.929","0.0003","90","","91.274","0.001","90","","1904.2","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 N4 O3 S -","- C18 H22 N4 O3 S -","- C72 H88 N16 O12 S4 -","4","1","","Yan, Xiaosheng; Weng, Peimin; Cao, Jinlian; Lin, Kexin; Qi, Yuanwei; Wu, Xin; Jiang, Yun-Bao","Simultaneous formation of helical and sheet-like assemblies from short azapeptides enables spontaneous resolution.","Nanoscale","2024","16","41","19221","19227","10.1039/d4nr02872d","","","1.54184","CuKα","","0.0407","0.0381","","","0.1019","0.1046","","","","","","1.057","","","","has coordinates","296616","2024-12-06","20:04:35",""
"1572722","4.704","0.0001","15.8512","0.0003","22.2569","0.0004","90","","90","","90","","1659.56","0.06","99.9","0.7","99.9","0.7","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N4 O2 S -","- C17 H18 N4 O2 S -","- C68 H72 N16 O8 S4 -","4","1","","Yan, Xiaosheng; Weng, Peimin; Cao, Jinlian; Lin, Kexin; Qi, Yuanwei; Wu, Xin; Jiang, Yun-Bao","Simultaneous formation of helical and sheet-like assemblies from short azapeptides enables spontaneous resolution.","Nanoscale","2024","16","41","19221","19227","10.1039/d4nr02872d","","","1.54184","CuKα","","0.0536","0.0462","","","0.1142","0.1388","","","","","","1.133","","","","has coordinates","296616","2024-12-06","20:04:35",""
"1572723","4.6565","0.0001","16.8753","0.0003","22.9925","0.0004","90","","90","","90","","1806.75","0.06","100.1","0.2","100.1","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 I N4 O2 S -","- C17 H17 I N4 O2 S -","- C68 H68 I4 N16 O8 S4 -","4","1","","Yan, Xiaosheng; Weng, Peimin; Cao, Jinlian; Lin, Kexin; Qi, Yuanwei; Wu, Xin; Jiang, Yun-Bao","Simultaneous formation of helical and sheet-like assemblies from short azapeptides enables spontaneous resolution.","Nanoscale","2024","16","41","19221","19227","10.1039/d4nr02872d","","","1.54184","CuKα","","0.0615","0.0585","","","0.1556","0.1741","","","","","","1.156","","","","has coordinates,has disorder","296616","2024-12-06","20:04:35",""
"1572724","4.6568","0.0001","16.8731","0.0004","22.9659","0.0006","90","","90","","90","","1804.54","0.07","99.9","0.7","99.9","0.7","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 I N4 O2 S -","- C17 H17 I N4 O2 S -","- C68 H68 I4 N16 O8 S4 -","4","1","","Yan, Xiaosheng; Weng, Peimin; Cao, Jinlian; Lin, Kexin; Qi, Yuanwei; Wu, Xin; Jiang, Yun-Bao","Simultaneous formation of helical and sheet-like assemblies from short azapeptides enables spontaneous resolution.","Nanoscale","2024","16","41","19221","19227","10.1039/d4nr02872d","","","1.54184","CuKα","","0.0449","0.0377","","","0.093","0.119","","","","","","1.145","","","","has coordinates","296616","2024-12-06","20:04:35",""
"1572728","18.512","0.003","27.014","0.004","7.4371","0.0012","90","","90","","90","","3719.2","1","296.15","","296.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C18 H20 N4 O S -","- C18 H20 N4 O S -","- C144 H160 N32 O8 S8 -","8","1","","Hu, Didi; Bu, Yingcui; Liu, Mengxiao; Bai, Fuqing; Li, Jingjing; Li, Longchun; Cai, Huimei; Gan, Xiaoping","A simple fluorescent probe for selectively detecting Al<sup>3+</sup> and F<sup>-</sup> in living cells and growing tea plants.","Analytical methods : advancing methods and applications","2024","16","45","7781","7788","10.1039/d4ay01419g","","","0.71073","MoKα","","0.1512","0.0757","","","0.2167","0.2646","","","","","","1.052","","","","has coordinates","296253","2024-12-06","14:24:40",""
"1572729","16.3354","0.0009","24.6172","0.0013","28.7146","0.0015","75.3941","0.0012","87.8609","0.0013","89.5919","0.0012","11166.1","1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C207 H205 Cu9 N2 Na4 O49.5 P4 Si20 -","- C207 H205 Cu9 N2 Na4 O49.5 P4 Si20 -","- C414 H410 Cu18 N4 Na8 O99 P8 Si40 -","2","1","","Bilyachenko, Alexey N.; Khrustalev, Victor N.; Huang, Zhibin; Dubinina, Kristina D.; Shubina, Elena S.; Lobanov, Nikolai N.; Sun, Di; Alegria, Elisabete C. B. A.; Pombeiro, Armando J. L.","An ionic Cu<sub>9</sub>Na<sub>4</sub>-phenylsilsesquioxane/bis(triphenylphosphine)iminium complex: synthesis, unique structure, and catalytic activity.","Nanoscale","2024","16","41","19266","19275","10.1039/d4nr02298j","","","0.71073","MoKα","","0.1898","0.1034","","","0.2066","0.2383","","","","","","1.059","","","","has coordinates,has disorder","296615","2024-12-06","20:04:19",""
"1572813","11.3091","0.0001","15.7826","0.0002","25.6534","0.0002","90","","100.216","0.001","90","","4506.21","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H44 Au3.1 Cu0.9 N4 -","- C53 H44 Au3.1 Cu0.9 N4 -","- C212 H176 Au12.4 Cu3.6 N16 -","4","1","","Zuo, Dongjie; Guo, Huifang; Xu, Qinghua; He, Ayisha; Li, Zilin; Li, Simin; Shen, Hui","N-Heterocyclic carbene-stabilized gold-copper nanoclusters: synthesis, bonding and mechanochromism.","Nanoscale","2024","16","43","20228","20234","10.1039/d4nr03320e","","x-ray","1.54184","CuKα","","0.0377","0.0329","","","0.083","0.0853","","","","","","1.036","","","","has coordinates,has disorder","296618","2024-12-06","20:05:12",""
"1572855","17.0812","0.0029","17.0812","","17.0812","","90","","90","","90","","4983.7","0.8","300","","300","","","","100","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C24 H24 Co N36 Ni2 -","- C12 H12 Co N18 Ni2 -","- C96 H96 Co8 N144 Ni16 -","8","0.0416667","","Zheng, Minling; Liu, Yubo; Zhang, Qifu; Li, Wenjing; Zhang, Yong; Feng, Guangxue; Hu, Yating; Huang, Shaoming","Dual metal centers within a water-stable Co/Ni bimetallic metal-triazolate framework contribute to durable photocatalysis for water treatment.","Nanoscale","2024","16","43","20082","20088","10.1039/d4nr03940h","powder diffraction","x-ray","1.5405","CuKα","","","","","","","","0.07926","","","","","","","","","has coordinates","296617","2024-12-06","20:04:59",""
"1572856","17.1653","","17.1653","","17.1653","","90","","90","","90","","5057.71","","300","","300","","","","100","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","Ni-MET","","","- C24 H24 N36 Ni3 -","- C12 H12 N18 Ni3 -","- C96 H96 N144 Ni24 -","8","0.0416667","","Zheng, Minling; Liu, Yubo; Zhang, Qifu; Li, Wenjing; Zhang, Yong; Feng, Guangxue; Hu, Yating; Huang, Shaoming","Dual metal centers within a water-stable Co/Ni bimetallic metal-triazolate framework contribute to durable photocatalysis for water treatment.","Nanoscale","2024","16","43","20082","20088","10.1039/d4nr03940h","powder diffraction","x-ray","1.5405","CuKα","","","","","","","","0.31951","","","","","","","","","has coordinates","296617","2024-12-06","20:05:01",""
"1572875","10.2369","0.0006","20.4352","0.0012","33.981","0.002","90","","90","","90","","7108.6","0.7","100","2","100","2","","","","","","","","7","F m m m","-F 2 2","69","","","","- C6 H18 Cl4 Cu N2 O3 Si2 -","- C6 H18 Cl4 Cu N2 O3 Si2 -","- C96 H288 Cl64 Cu16 N32 O48 Si32 -","16","0.5","","Dalton, Connor W.; Gannon, Paige M.; Kaminsky, Werner; Reed, Douglas A.","Leveraging ordered voids in microporous perovskites for intercalation and post-synthetic modification.","Chemical science","2024","16","3","1147","1154","10.1039/d4sc04378b","","x-ray","0.71073","MoKα","","0.0826","0.079","","","0.1937","0.1966","","","","","","1.234","","","","has coordinates,has disorder","298159","2025-03-04","19:30:31",""
"1572885","14.9838","0.0013","9.3761","0.0009","15.4285","0.0015","90","","90","","90","","2167.5","0.4","150","2","150","2","","","","","","","synthesis as described","4","P b c n","-P 2n 2ab","60","","","","- C28 H18 Br2 O2 -","- C28 H18 Br2 O2 -","- C112 H72 Br8 O8 -","4","0.5","","Cadeddu, Stefano; van den Bersselaar, Bart W. L.; de Waal, Bas; Cordier, Marie; Vanthuyne, Nicolas; Meskers, Stefan C. J.; Vantomme, Ghislaine; Crassous, Jeanne","Engineering circularly polarized light emission in nanostructured oligodimethylsiloxane-helicene chiral materials.","Nanoscale","2024","16","46","21351","21359","10.1039/d4nr03389b","","x-ray","0.71073","MoKα","","0.0443","0.0352","","","0.0627","0.0656","","","","","","1.182","","","","has coordinates","296622","2024-12-06","20:07:51",""
"1572886","38.942","0.007","9.594","0.0016","19.295","0.002","90","","102.551","0.006","90","","7036.5","1.9","150","2","150","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H82 N2 O6 Si6 -","- C68 H82 N2 O6 Si6 -","- C272 H328 N8 O24 Si24 -","4","0.5","","Cadeddu, Stefano; van den Bersselaar, Bart W. L.; de Waal, Bas; Cordier, Marie; Vanthuyne, Nicolas; Meskers, Stefan C. J.; Vantomme, Ghislaine; Crassous, Jeanne","Engineering circularly polarized light emission in nanostructured oligodimethylsiloxane-helicene chiral materials.","Nanoscale","2024","16","46","21351","21359","10.1039/d4nr03389b","","x-ray","0.71073","MoKα","","0.0687","0.0509","","","0.1249","0.1352","","","","","","1.056","","","","has coordinates,has disorder","296622","2024-12-06","20:07:51",""
"1572971","7.6159","0.0003","13.8364","0.0007","18.8032","0.0006","97.114","0.003","100.726","0.003","102.922","0.003","1868.96","0.14","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H29.84 F6 N6 O9.92 -","- C38 H29.84 F6 N6 O9.92 -","- C76 H59.68 F12 N12 O19.84 -","2","1","","Ahmad, Manzoor; Flerin, Martin; Tay, Hui Min; Thompson, Amber L.; Duarte, Fernanda; Langton, Matthew J.","Stimuli-responsive anion transport utilising caged hydrazone-based anionophores.","Nanoscale","2024","16","46","21545","21553","10.1039/d4nr03220a","","","1.5418","CuKα","","0.0792","0.0557","","0.1806","0.1556","0.1804","","","","","","0.9956","","","","has coordinates,has disorder","296621","2024-12-06","20:07:29",""
"1572972","10.5597","0.0004","10.1486","0.0005","38.667","0.002","90","","92.415","0.004","90","","4140.1","0.3","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H52 Cl F6 N5 O4 -","- C40 H52 Cl F6 N5 O4 -","- C160 H208 Cl4 F24 N20 O16 -","4","1","","Ahmad, Manzoor; Flerin, Martin; Tay, Hui Min; Thompson, Amber L.; Duarte, Fernanda; Langton, Matthew J.","Stimuli-responsive anion transport utilising caged hydrazone-based anionophores.","Nanoscale","2024","16","46","21545","21553","10.1039/d4nr03220a","","","1.54184","CuKα","","0.1108","0.0925","","0.2351","0.2235","0.2351","","","","","","1.0307","","","","has coordinates,has disorder","296621","2024-12-06","20:07:30",""
"1573032","4.8827","0.0002","10.6999","0.0004","29.5508","0.0011","90","","90","","90","","1543.86","0.1","298","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","0.5","","Pinson, Dana M.; Eckstrom, Francesca D.; Ostrom, Gregory S.; Randall McClain, K.; Baldwin, Lawrence C.; Harvey, Benjamin G.","[Ru]-Catalyzed olefin metathesis and ethenolysis for the synthesis and recycling of bio-based polycarbonates and polycyanurates","Polymer Chemistry","2025","16","2","133","148","10.1039/D4PY00940A","","","1.54178","CuKα","","0.0318","0.0307","","","0.0805","0.0824","","","","","","1.095","","","","has coordinates","299152","2025-04-05","04:25:08",""
"1573033","15.9421","0.0005","8.679","0.0003","13.2926","0.0004","90","","101.624","0.001","90","","1801.46","0.1","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H22 O5 -","- C21 H22 O5 -","- C84 H88 O20 -","4","0.5","","Pinson, Dana M.; Eckstrom, Francesca D.; Ostrom, Gregory S.; Randall McClain, K.; Baldwin, Lawrence C.; Harvey, Benjamin G.","[Ru]-Catalyzed olefin metathesis and ethenolysis for the synthesis and recycling of bio-based polycarbonates and polycyanurates","Polymer Chemistry","2025","16","2","133","148","10.1039/D4PY00940A","","","0.71073","MoKα","","0.034","0.0287","","","0.0721","0.0787","","","","","","1.0918","","","","has coordinates","299152","2025-04-05","04:25:12",""
"1573034","13.0353","0.0005","11.7214","0.0005","20.182","0.0008","90","","107.691","0.001","90","","2937.8","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 N3 O6 -","- C33 H33 N3 O6 -","- C132 H132 N12 O24 -","4","1","","Pinson, Dana M.; Eckstrom, Francesca D.; Ostrom, Gregory S.; Randall McClain, K.; Baldwin, Lawrence C.; Harvey, Benjamin G.","[Ru]-Catalyzed olefin metathesis and ethenolysis for the synthesis and recycling of bio-based polycarbonates and polycyanurates","Polymer Chemistry","2025","16","2","133","148","10.1039/D4PY00940A","","","0.71073","MoKα","","0.0828","0.0665","","","0.1694","0.1828","","","","","","1.061","","","","has coordinates","299152","2025-04-05","04:25:12",""
"1573035","16.0516","0.0001","25.7006","0.0002","27.3571","0.0002","90","","91.647","0.001","90","","11281.1","0.14","120","0.1","120","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C119 H167 F12 N29 O12 P2 -","- C68 H92 F12 N28 O12 P2 -","- C272 H368 F48 N112 O48 P8 -","4","1","","Závodná, Aneta; Janovský, Petr; Kolařík, Václav; Ward, Jas S.; Prucková, Zdeňka; Rouchal, Michal; Rissanen, Kari; Vícha, Robert","Allosteric release of cucurbit[6]uril from a rotaxane using a molecular signal.","Chemical science","2024","16","1","83","89","10.1039/d4sc03970j","","x-ray","1.54184","CuKα","","0.0861","0.08","","","0.2415","0.2465","","","","","","1.06","","","","has coordinates,has disorder","298095","2025-03-04","19:01:25",""
"1573036","17.47878","0.0001","27.72924","0.00012","15.22975","0.00007","90","","90","","90","","7381.45","0.06","298","2","298","2","","","","","","","","6","A m a 2","A 2 -2a","40","","","","- C58 H91.5 F12 N26 O17.75 P2 -","- C58 H91.5 F12 N26 O17.75 P2 -","- C232 H366 F48 N104 O71 P8 -","4","0.5","","Závodná, Aneta; Janovský, Petr; Kolařík, Václav; Ward, Jas S.; Prucková, Zdeňka; Rouchal, Michal; Rissanen, Kari; Vícha, Robert","Allosteric release of cucurbit[6]uril from a rotaxane using a molecular signal.","Chemical science","2024","16","1","83","89","10.1039/d4sc03970j","","x-ray","1.54184","CuKα","","0.0387","0.0383","","","0.1092","0.1096","","","","","","1.04","","","","has coordinates,has disorder","298095","2025-03-04","19:01:25",""
"1573037","36.765","0.0001","36.765","0.0001","36.765","0.0001","90","","90","","90","","49694","0.2","120.01","0.1","120.01","0.1","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C67 H99 F12 N29 O14 P2 -","- C61 H86 F11.9996 N27 O12.5 P1.99993 -","- C1464 H2064 F287.99 N648 O300 P47.9984 -","24","1","","Závodná, Aneta; Janovský, Petr; Kolařík, Václav; Ward, Jas S.; Prucková, Zdeňka; Rouchal, Michal; Rissanen, Kari; Vícha, Robert","Allosteric release of cucurbit[6]uril from a rotaxane using a molecular signal.","Chemical science","2024","16","1","83","89","10.1039/d4sc03970j","","x-ray","1.54184","CuKα","","0.1189","0.113","","","0.3818","0.3864","","","","","","1.803","","","","has coordinates","298095","2025-03-04","19:01:25",""
"1573038","36.79372","0.00009","36.79372","0.00009","36.79372","0.00009","90","","90","","90","","49810.5","0.2","120","","120","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C67 H98 F12 N29 O14.5 P2 -","- C61 H83 F11.9996 N27 O12 P1.99993 -","- C1464 H1992 F287.99 N648 O288 P47.9984 -","24","1","","Závodná, Aneta; Janovský, Petr; Kolařík, Václav; Ward, Jas S.; Prucková, Zdeňka; Rouchal, Michal; Rissanen, Kari; Vícha, Robert","Allosteric release of cucurbit[6]uril from a rotaxane using a molecular signal.","Chemical science","2024","16","1","83","89","10.1039/d4sc03970j","","x-ray","1.54184","CuKα","","0.1234","0.1167","","","0.3824","0.3887","","","","","","1.775","","","","has coordinates","298095","2025-03-04","19:01:25",""
"1573045","13.37","0.006","15.247","0.008","16.3","0.006","87.59","0.02","75.11","0.02","79.81","0.02","3161","2","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H44 B Cl4 F20 N O P2 -","- C66 H44 B Cl4 F20 N O P2 -","- C132 H88 B2 Cl8 F40 N2 O2 P4 -","2","1","","You, Lijun; Roth, Daniel; Greb, Lutz","Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism.","Chemical science","2025","16","4","1716","1721","10.1039/d4sc06581f","","x-ray","0.71073","MoKα","","0.0714","0.059","","","0.1533","0.1614","","","","","","1.023","","","","has coordinates,has disorder","298114","2025-03-04","19:12:16",""
"1573046","10.1018","0.0013","31.87","0.006","18.321","0.003","90","","92.637","0.015","90","","5892.1","1.7","120","2","120","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C63 H48 B Cl2 F20 N O P2 -","- C63 H48 B Cl2 F20 N O P2 -","- C252 H192 B4 Cl8 F80 N4 O4 P8 -","4","1","","You, Lijun; Roth, Daniel; Greb, Lutz","Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism.","Chemical science","2025","16","4","1716","1721","10.1039/d4sc06581f","","x-ray","0.71073","MoKα","","0.0812","0.0422","","","0.0886","0.1055","","","","","","1.068","","","","has coordinates","298114","2025-03-04","19:12:34",""
"1573047","13.124","0.008","16.183","0.014","17.493","0.013","110.67","0.03","95.58","0.02","113.696","0.018","3057","4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H42 B F20 N O P2 -","- C65 H42 B F20 N O P2 -","- C130 H84 B2 F40 N2 O2 P4 -","2","1","","You, Lijun; Roth, Daniel; Greb, Lutz","Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism.","Chemical science","2025","16","4","1716","1721","10.1039/d4sc06581f","","x-ray","0.71073","MoKα","","0.0862","0.0512","","","0.1253","0.1461","","","","","","1.015","","","","has coordinates","298114","2025-03-04","19:12:34",""
"1573048","12.944","0.005","13.582","0.004","19.223","0.007","103.948","0.013","103.841","0.014","97.75","0.013","3117.5","1.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32.5 H34 Cl2 N O P2 -","- C32.5 H34 Cl2 N O P2 -","- C130 H136 Cl8 N4 O4 P8 -","4","2","","You, Lijun; Roth, Daniel; Greb, Lutz","Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism.","Chemical science","2025","16","4","1716","1721","10.1039/d4sc06581f","","x-ray","0.71073","MoKα","","0.0684","0.0565","","","0.1423","0.1546","","","","","","1.089","","","","has coordinates,has disorder","298114","2025-03-04","19:12:34",""
"1573049","14.195","0.007","15.574","0.007","16.591","0.008","82.59","0.02","77.118","0.018","64.527","0.016","3226","3","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C71 H48 B Cl2 F20 N O P2 -","- C71 H48 B Cl2 F20 N O P2 -","- C142 H96 B2 Cl4 F40 N2 O2 P4 -","2","1","","You, Lijun; Roth, Daniel; Greb, Lutz","Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism.","Chemical science","2025","16","4","1716","1721","10.1039/d4sc06581f","","x-ray","0.71073","MoKα","","0.07","0.0494","","","0.1215","0.1345","","","","","","1.056","","","","has coordinates,has disorder","298114","2025-03-04","19:12:34",""
"1573050","13.127","0.004","16.617","0.004","17.814","0.006","114.495","0.014","98.862","0.018","91.899","0.018","3473.5","1.8","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C71 H58 B Cl4 F20 N O P2 -","- C71 H58 B Cl4 F20 N O P2 -","- C142 H116 B2 Cl8 F40 N2 O2 P4 -","2","1","","You, Lijun; Roth, Daniel; Greb, Lutz","Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism.","Chemical science","2025","16","4","1716","1721","10.1039/d4sc06581f","","x-ray","0.71073","MoKα","","0.0624","0.0509","","","0.1314","0.1416","","","","","","1.032","","","","has coordinates,has disorder","298114","2025-03-04","19:12:34",""
"1573051","20.836","0.013","18.713","0.009","29.74","0.014","90","","90","","90","","11596","11","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C48 H34 Al F36 N O5 P2 -","- C48 H34 Al F36 N O5 P2 -","- C384 H272 Al8 F288 N8 O40 P16 -","8","1","","You, Lijun; Roth, Daniel; Greb, Lutz","Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism.","Chemical science","2025","16","4","1716","1721","10.1039/d4sc06581f","","x-ray","0.71073","MoKα","","0.0659","0.0445","","","0.1137","0.1326","","","","","","1.018","","","","has coordinates,has disorder","298114","2025-03-04","19:12:34",""
"1573052","11.884","0.003","16.729","0.004","31.882","0.007","90","","96.442","0.009","90","","6298","3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H40 B F20 N O2 P2 -","- C63 H40 B F20 N O2 P2 -","- C252 H160 B4 F80 N4 O8 P8 -","4","1","","You, Lijun; Roth, Daniel; Greb, Lutz","Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism.","Chemical science","2025","16","4","1716","1721","10.1039/d4sc06581f","","x-ray","0.71073","MoKα","","0.0432","0.0384","","","0.102","0.1066","","","","","","1.032","","","","has coordinates","298114","2025-03-04","19:12:34",""
"1573053","50.046","0.015","10.705","0.004","27.527","0.008","90","","123.266","0.007","90","","12331","7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C64 H42 B F20 N O2 P2 -","- C64 H42 B F20 N O2 P2 -","- C512 H336 B8 F160 N8 O16 P16 -","8","1","","You, Lijun; Roth, Daniel; Greb, Lutz","Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism.","Chemical science","2025","16","4","1716","1721","10.1039/d4sc06581f","","x-ray","0.71073","MoKα","","0.0487","0.0394","","","0.0989","0.1066","","","","","","1.037","","","","has coordinates","298114","2025-03-04","19:12:34",""
"1573142","14.768","0.003","22.615","0.006","14.318","0.004","90","","109.286","0.005","90","","4514","2","117","","117","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H22 B Cl Co F10 Fe N15 O4 -","- C36 H22 B Cl Co F10 Fe N15 O4 -","- C144 H88 B4 Cl4 Co4 F40 Fe4 N60 O16 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.","Chemical science","2024","16","1","130","138","10.1039/d4sc05792a","","","0.71073","MoKα","","0.1714","0.0707","","","0.1326","0.1738","","","","","","1.015","","","","has coordinates","298099","2025-03-04","19:04:05",""
"1573143","14.938","0.011","20.83","0.016","15.45","0.012","90","","103.72","0.02","90","","4670","6","250","","250","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 B Cl Co F10 Fe N15 O7 -","- C38 H32 B Cl Co F10 Fe N15 O7 -","- C152 H128 B4 Cl4 Co4 F40 Fe4 N60 O28 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.","Chemical science","2024","16","1","130","138","10.1039/d4sc05792a","","","0.71073","MoKα","","0.2343","0.0722","","","0.1472","0.2135","","","","","","0.936","","","","has coordinates","298099","2025-03-04","19:04:07",""
"1573144","14.555","0.003","22.133","0.004","14.59","0.003","90","","107.506","0.006","90","","4482.4","1.5","168","2","168","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C144 H96 B4 Cl4 Co4 F40 Fe4 N60 O20 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.","Chemical science","2024","16","1","130","138","10.1039/d4sc05792a","","","0.71073","MoKα","","0.0894","0.0583","","","0.1397","0.1594","","","","","","1.069","","","","has coordinates,has disorder","298099","2025-03-04","19:04:07",""
"1573145","14.867","0.004","20.702","0.006","15.437","0.004","90","","103.782","0.007","90","","4614","2","200","2","200","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C38 H29 B Cl Co F10 Fe N15 O7 -","- C38 H29 B Cl Co F10 Fe N15 O7 -","- C152 H116 B4 Cl4 Co4 F40 Fe4 N60 O28 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.","Chemical science","2024","16","1","130","138","10.1039/d4sc05792a","","","0.71073","MoKα","","0.0789","0.0432","","","0.0929","0.1103","","","","","","1.005","","","","has coordinates","298099","2025-03-04","19:04:07",""
"1573146","14.5844","0.0015","21.947","0.002","14.54","0.0015","90","","107.574","0.003","90","","4436.8","0.8","140","","140","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C144 H96 B4 Cl4 Co4 F40 Fe4 N60 O20 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.","Chemical science","2024","16","1","130","138","10.1039/d4sc05792a","","","0.71073","MoKα","","0.0922","0.0573","","","0.1351","0.1555","","","","","","1.043","","","","has coordinates,has disorder","298099","2025-03-04","19:04:07",""
"1573147","14.5597","0.0012","22.1504","0.0016","14.5863","0.0012","90","","107.475","0.003","90","","4487","0.6","168","2","168","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C144 H96 B4 Cl4 Co4 F40 Fe4 N60 O20 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.","Chemical science","2024","16","1","130","138","10.1039/d4sc05792a","","","0.71073","MoKα","","0.0924","0.0592","","","0.1403","0.1609","","","","","","1.064","","","","has coordinates,has disorder","298099","2025-03-04","19:04:07",""
"1573148","14.586","0.003","21.94","0.004","14.537","0.003","90","","107.634","0.005","90","","4433.5","1.5","140","2","140","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C144 H96 B4 Cl4 Co4 F40 Fe4 N60 O20 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.","Chemical science","2024","16","1","130","138","10.1039/d4sc05792a","","","0.71073","MoKα","","0.0851","0.059","","","0.1386","0.1547","","","","","","1.063","","","","has coordinates,has disorder","298099","2025-03-04","19:04:07",""
"1573149","14.608","0.003","21.69","0.004","14.447","0.003","90","","107.574","0.004","90","","4363.9","1.5","120","","120","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C144 H96 B4 Cl4 Co4 F40 Fe4 N60 O20 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.","Chemical science","2024","16","1","130","138","10.1039/d4sc05792a","","","0.71073","MoKα","","0.1301","0.0706","","","0.1552","0.1859","","","","","","1.053","","","","has coordinates,has disorder","298099","2025-03-04","19:04:07",""
"1573150","14.5088","0.001","22.4672","0.0013","14.6367","0.001","90","","107.396","0.002","90","","4552.9","0.5","200","","200","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C144 H96 B4 Cl4 Co4 F40 Fe4 N60 O20 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.","Chemical science","2024","16","1","130","138","10.1039/d4sc05792a","","","0.71073","MoKα","","0.1135","0.0816","","","0.1745","0.1888","","","","","","1.214","","","","has coordinates,has disorder","298099","2025-03-04","19:04:07",""
"1573151","14.5659","0.0013","21.8912","0.0018","14.5075","0.0014","90","","107.593","0.003","90","","4409.6","0.7","110","2","110","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C144 H96 B4 Cl4 Co4 F40 Fe4 N60 O20 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.","Chemical science","2024","16","1","130","138","10.1039/d4sc05792a","","","0.71073","MoKα","","0.0832","0.058","","","0.1367","0.1527","","","","","","1.06","","","","has coordinates,has disorder","298099","2025-03-04","19:04:07",""
"1573152","14.6328","0.001","21.6526","0.0017","14.4816","0.0012","90","","107.596","0.004","90","","4373.6","0.6","140","2","140","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C144 H96 B4 Cl4 Co4 F40 Fe4 N60 O20 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.","Chemical science","2024","16","1","130","138","10.1039/d4sc05792a","","","0.71073","MoKα","","0.1404","0.0918","","","0.186","0.2086","","","","","","1.127","","","","has coordinates,has disorder","298099","2025-03-04","19:04:07",""
"1573153","14.618","0.003","21.998","0.004","14.513","0.003","90","","107.492","0.004","90","","4451.1","1.5","168","","168","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C144 H96 B4 Cl4 Co4 F40 Fe4 N60 O20 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.","Chemical science","2024","16","1","130","138","10.1039/d4sc05792a","","","0.71073","MoKα","","0.1333","0.0684","","","0.1493","0.1861","","","","","","1.014","","","","has coordinates,has disorder","298099","2025-03-04","19:04:07",""
"1573154","14.5189","0.0006","22.4945","0.0008","14.6481","0.0006","90","","107.387","0.001","90","","4565.4","0.3","200","2","200","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C144 H96 B4 Cl4 Co4 F40 Fe4 N60 O20 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.","Chemical science","2024","16","1","130","138","10.1039/d4sc05792a","","","0.71073","MoKα","","0.1081","0.0841","","","0.1777","0.1887","","","","","","1.219","","","","has coordinates,has disorder","298099","2025-03-04","19:04:07",""
"1573155","14.5568","0.0005","22.4909","0.0008","14.6069","0.0005","90","","107.337","0.001","90","","4565","0.3","200","","200","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C36 H24 B Cl Co F10 Fe N15 O5 -","- C144 H96 B4 Cl4 Co4 F40 Fe4 N60 O20 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.","Chemical science","2024","16","1","130","138","10.1039/d4sc05792a","","","0.71073","MoKα","","0.1532","0.1264","","","0.2815","0.2943","","","","","","1.256","","","","has coordinates,has disorder","298099","2025-03-04","19:04:07",""
"1573156","14.852","0.005","20.7","0.008","15.425","0.006","90","","103.695","0.011","90","","4607","3","168","2","168","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C38 H29 B Cl Co F10 Fe N15 O7 -","- C38 H29 B Cl Co F10 Fe N15 O7 -","- C152 H116 B4 Cl4 Co4 F40 Fe4 N60 O28 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.","Chemical science","2024","16","1","130","138","10.1039/d4sc05792a","","","0.71073","MoKα","","0.081","0.0439","","","0.0912","0.1078","","","","","","1.008","","","","has coordinates","298099","2025-03-04","19:04:07",""
"1573157","14.735","0.005","20.586","0.007","15.382","0.006","90","","103.396","0.01","90","","4539","3","100","2","100","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C38 H29 B Cl Co F10 Fe N15 O7 -","- C38 H29 B Cl Co F10 Fe N15 O7 -","- C152 H116 B4 Cl4 Co4 F40 Fe4 N60 O28 -","4","1","","Yadav, Jyoti; Konar, Sanjit","Spin state modulation and kinetic control of thermal contraction in a [Fe<sub>2</sub>Co<sub>2</sub>] discrete Prussian blue analogue.","Chemical science","2024","16","1","130","138","10.1039/d4sc05792a","","","0.71073","MoKα","","0.0738","0.0426","","","0.09","0.1049","","","","","","1.027","","","","has coordinates","298099","2025-03-04","19:04:07",""
"1573160","17.2516","0.0002","17.2516","0.0002","47.4743","0.0008","90","","90","","90","","14129.2","0.3","100","0.1","100","0.1","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C84 H100 Ga2 N4 -","- C84 H100 Ga2 N4 -","- C672 H800 Ga16 N32 -","8","0.5","","Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","Annulated carbocyclic gallylene and bis-gallylene with two-coordinated Ga(i) atoms.","Chemical science","2025","16","5","2222","2230","10.1039/d4sc06782g","","x-ray","0.71073","MoKα","","0.0442","0.0336","","","0.078","0.0826","","","","","","1.109","","","","has coordinates","298088","2025-03-04","18:55:54",""
"1573161","19.4377","0.0004","19.6182","0.0004","19.7964","0.0005","90","","100.679","0.002","90","","7418.3","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H78 F16 Ga2 N4 -","- C80 H78 F16 Ga2 N4 -","- C320 H312 F64 Ga8 N16 -","4","1","","Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","Annulated carbocyclic gallylene and bis-gallylene with two-coordinated Ga(i) atoms.","Chemical science","2025","16","5","2222","2230","10.1039/d4sc06782g","","x-ray","1.54184","CuKα","","0.0728","0.0522","","","0.1232","0.135","","","","","","1.026","","","","has coordinates","298088","2025-03-04","18:55:55",""
"1573162","10.8571","0.0002","14.302","0.0003","25.6182","0.0005","98.115","0.002","96.616","0.002","102.807","0.002","3795.66","0.14","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C82.88 H87 Fe1.97 Ga2 I0.06 N4 O7.88 -","- C82.8744 H87 Fe1.9686 Ga2 I0.0628 N4 O7.8744 -","- C165.749 H174 Fe3.9372 Ga4 I0.1256 N8 O15.7488 -","2","1","","Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","Annulated carbocyclic gallylene and bis-gallylene with two-coordinated Ga(i) atoms.","Chemical science","2025","16","5","2222","2230","10.1039/d4sc06782g","","x-ray","1.54184","CuKα","","0.0405","0.0373","","","0.0994","0.1027","","","","","","1.021","","","","has coordinates,has disorder","298088","2025-03-04","18:55:55",""
"1573163","10.3023","0.0008","18.4534","0.0013","20.0384","0.0016","90","","103.039","0.007","90","","3711.3","0.5","173","0.1","173","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H90 Cl4 Ga2 N4 -","- C66 H78 Cl4 Ga2 N4 -","- C132 H156 Cl8 Ga4 N8 -","2","0.5","","Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","Annulated carbocyclic gallylene and bis-gallylene with two-coordinated Ga(i) atoms.","Chemical science","2025","16","5","2222","2230","10.1039/d4sc06782g","","x-ray","0.71073","MoKα","","0.0577","0.0447","","","0.1139","0.1219","","","","","","1.044","","","","has coordinates","298088","2025-03-04","18:55:55",""
"1573164","12.7988","0.0007","14.6243","0.0007","18.1282","0.0009","80.487","0.004","79.632","0.004","85.811","0.004","3288.5","0.3","220","0.1","220","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C73 H86 Ga2 N4 -","- C66 H78 Ga2 N4 -","- C132 H156 Ga4 N8 -","2","1","","Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","Annulated carbocyclic gallylene and bis-gallylene with two-coordinated Ga(i) atoms.","Chemical science","2025","16","5","2222","2230","10.1039/d4sc06782g","","x-ray","0.71073","MoKα","","0.1001","0.0645","","","0.1573","0.1789","","","","","","1.031","","","","has coordinates,has disorder","298088","2025-03-04","18:55:55",""
"1573165","10.5694","0.0001","12.1801","0.0001","13.6704","0.0001","101.963","0.001","98.911","0.001","107.53","0.001","1596.52","0.03","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C66 H78 Ga2 I4 N4 -","- C66 H78 Ga2 I4 N4 -","- C66 H78 Ga2 I4 N4 -","1","0.5","","Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","Annulated carbocyclic gallylene and bis-gallylene with two-coordinated Ga(i) atoms.","Chemical science","2025","16","5","2222","2230","10.1039/d4sc06782g","","x-ray","0.71073","MoKα","","0.0228","0.018","","","0.0365","0.0385","","","","","","1.0511","","","","has coordinates","298088","2025-03-04","18:55:55",""
"1573166","21.1589","0.0005","19.2641","0.0004","19.4975","0.0004","90","","91.377","0.002","90","","7945","0.3","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C88 H88 F12 Ga2 N6 -","- C76 H78 F10 Ga2 N6 -","- C304 H312 F40 Ga8 N24 -","4","0.5","","Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","Annulated carbocyclic gallylene and bis-gallylene with two-coordinated Ga(i) atoms.","Chemical science","2025","16","5","2222","2230","10.1039/d4sc06782g","","x-ray","0.71073","MoKα","","0.0712","0.0675","","","0.1644","0.1664","","","","","","1.174","","","","has coordinates,has disorder","298088","2025-03-04","18:55:55",""
"1573176","13.5566","0.0003","6.1185","0.0002","34.8632","0.0008","90","","91.681","0.001","90","","2890.52","0.13","193","","193","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C31 H51 N O5 -","- C31 H51 N O5 -","- C124 H204 N4 O20 -","4","1","","Wang, Zengyuan; Alsup, Tyler A.; Pan, Xingming; Li, Lu-Lu; Tian, Jupeng; Yang, Ziyi; Lin, Xiaoxu; Xu, Hui-Min; Rudolf, Jeffrey D.; Dong, Liao-Bin","Biosynthesis of a bacterial meroterpenoid reveals a non-canonical class II meroterpenoid cyclase.","Chemical science","2024","16","1","310","317","10.1039/d4sc06010e","","","1.54178","CuKα","","0.0347","0.0335","","","0.088","0.0892","","","","","","1.068","","","","has coordinates","298092","2025-03-04","18:58:07",""
"1573177","7.2412","0.0002","12.2368","0.0004","34.0916","0.001","90","","90","","90","","3020.83","0.16","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H51 N O5 -","- C30 H51 N O5 -","- C120 H204 N4 O20 -","4","1","","Wang, Zengyuan; Alsup, Tyler A.; Pan, Xingming; Li, Lu-Lu; Tian, Jupeng; Yang, Ziyi; Lin, Xiaoxu; Xu, Hui-Min; Rudolf, Jeffrey D.; Dong, Liao-Bin","Biosynthesis of a bacterial meroterpenoid reveals a non-canonical class II meroterpenoid cyclase.","Chemical science","2024","16","1","310","317","10.1039/d4sc06010e","","","1.54184","CuKα","","0.0773","0.0701","","","0.1741","0.1775","","","","","","1.198","","","","has coordinates","298092","2025-03-04","18:58:07",""
"1573178","9.775","0.0003","16.6702","0.0006","25.7105","0.0008","107.247","0.003","93.692","0.003","98.988","0.003","3924.7","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H28 Al4 -","- C28 H28 Al4 -","- C168 H168 Al24 -","6","3","","Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.","Chemical science","2024","16","1","147","155","10.1039/d4sc06940d","","","0.71073","MoKα","","0.0549","0.0417","","","0.1052","0.1139","","","","","","1.033","","","","has coordinates","298096","2025-03-04","19:02:14",""
"1573179","8.5249","0.0004","10.084","0.0006","15.022","0.0007","80.5","0.004","80.878","0.004","65.121","0.005","1149.72","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H8 Al4 Br8 -","- C12 H8 Al4 Br8 -","- C24 H16 Al8 Br16 -","2","1","","Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.","Chemical science","2024","16","1","147","155","10.1039/d4sc06940d","","","0.71073","MoKα","","0.0644","0.059","","","0.1503","0.1552","","","","","","1.092","","","","has coordinates","298096","2025-03-04","19:02:14",""
"1573180","10.9074","0.0012","12.1287","0.0012","20.097","0.002","90.03","0.009","91.767","0.009","109.036","0.009","2511.9","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H29 Al2 K N2 O1.5 -","- C23 H29 Al2 K N2 O1.5 -","- C92 H116 Al8 K4 N8 O6 -","4","2","","Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.","Chemical science","2024","16","1","147","155","10.1039/d4sc06940d","","","0.71073","MoKα","","0.1567","0.1057","","","0.3841","0.3937","","","","","","1.109","","","","has coordinates","298096","2025-03-04","19:02:14",""
"1573181","9.0697","0.0003","9.2595","0.0004","9.8024","0.0004","112.117","0.004","105.052","0.003","102.588","0.003","689.09","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 Al2 N2 -","- C30 H30 Al2 N2 -","- C30 H30 Al2 N2 -","1","0.5","","Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.","Chemical science","2024","16","1","147","155","10.1039/d4sc06940d","","","0.71073","MoKα","","0.0404","0.0394","","","0.1051","0.1059","","","","","","1.067","","","","has coordinates","298096","2025-03-04","19:02:14",""
"1573182","10.1518","0.0008","9.9203","0.0006","12.7992","0.001","90","","100.072","0.007","90","","1269.13","0.16","173","2","173","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C24 H16 Al4 Br4 -","- C24 H16 Al4 Br4 -","- C48 H32 Al8 Br8 -","2","0.5","","Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.","Chemical science","2024","16","1","147","155","10.1039/d4sc06940d","","","0.71073","MoKα","","0.0427","0.0363","","","0.085","0.0901","","","","","","1.106","","","","has coordinates","298096","2025-03-04","19:02:14",""
"1573183","8.1909","0.0009","8.1869","0.0009","9.8777","0.001","109.179","0.01","102.057","0.009","104.104","0.01","575.78","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C13.9 H13.69 Al4 Br6.1 -","- C13.896 H13.688 Al4 Br6.104 -","- C13.896 H13.688 Al4 Br6.104 -","1","0.5","","Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.","Chemical science","2024","16","1","147","155","10.1039/d4sc06940d","","","0.71073","MoKα","","0.0629","0.0472","","","0.0986","0.1077","","","","","","1.031","","","","has coordinates,has disorder","298096","2025-03-04","19:02:14",""
"1573184","9.87648","0.00019","14.3894","0.0003","15.3682","0.0003","90","","104.96","0.002","90","","2110.05","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H24.67 Al2 N2.67 O0.67 -","- C21.9996 H24.666 Al2 N2.6666 O0.6666 -","- C87.9984 H98.664 Al8 N10.6664 O2.6664 -","4","1","","Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.","Chemical science","2024","16","1","147","155","10.1039/d4sc06940d","","","0.71073","MoKα","","0.0674","0.0631","","","0.1552","0.1581","","","","","","1.097","","","","has coordinates,has disorder","298096","2025-03-04","19:02:14",""
"1573185","19.694","0.003","7.0404","0.0006","19.08","0.004","90","","120.073","0.018","90","","2289.4","0.8","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 Al2 Br2 O2 -","- C20 H28 Al2 Br2 O2 -","- C80 H112 Al8 Br8 O8 -","4","0.5","","Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.","Chemical science","2024","16","1","147","155","10.1039/d4sc06940d","","","0.71073","MoKα","","0.0608","0.0439","","","0.0956","0.0984","","","","","","1.034","","","","has coordinates","298096","2025-03-04","19:02:14",""
"1573186","9.5845","0.0004","13.7779","0.0005","16.7652","0.0006","90","","106.151","0.004","90","","2126.54","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Al2 Br2 O2 -","- C20 H24 Al2 Br2 O2 -","- C80 H96 Al8 Br8 O8 -","4","1","","Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.","Chemical science","2024","16","1","147","155","10.1039/d4sc06940d","","","0.71073","MoKα","","0.0427","0.0325","","","0.0619","0.0651","","","","","","1.108","","","","has coordinates","298096","2025-03-04","19:02:14",""
"1573187","8.071","0.0005","8.2992","0.0006","9.8658","0.0007","108.901","0.007","101.51","0.006","103.983","0.006","578.24","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H8 Al4 Br8 -","- C12 H8 Al4 Br8 -","- C12 H8 Al4 Br8 -","1","0.5","","Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.","Chemical science","2024","16","1","147","155","10.1039/d4sc06940d","","","0.71073","MoKα","","0.0376","0.0332","","","0.0827","0.0867","","","","","","1.07","","","","has coordinates","298096","2025-03-04","19:02:14",""
"1573188","9.0374","0.0007","9.3213","0.0006","9.7274","0.0009","110.307","0.007","104.486","0.008","104.444","0.006","691.18","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 Al2 Br2 N2 -","- C28 H24 Al2 Br2 N2 -","- C28 H24 Al2 Br2 N2 -","1","0.5","","Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.","Chemical science","2024","16","1","147","155","10.1039/d4sc06940d","","","0.71073","MoKα","","0.0472","0.0366","","","0.0652","0.0678","","","","","","1.162","","","","has coordinates,has disorder","298096","2025-03-04","19:02:14",""
"1573189","9.4049","0.0004","16.9807","0.0006","10.3837","0.0004","90","","108.989","0.004","90","","1568.05","0.11","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H40 Al2 Br5 N -","- C22 H40 Al2 Br5 N -","- C44 H80 Al4 Br10 N2 -","2","1","","Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.","Chemical science","2024","16","1","147","155","10.1039/d4sc06940d","","","0.71073","MoKα","","0.0537","0.0416","","","0.0901","0.0965","","","","","","1.01","","","","has coordinates","298096","2025-03-04","19:02:14",""
"1573190","9.9086","0.0005","13.8047","0.0006","16.1315","0.0007","90","","95.104","0.004","90","","2197.8","0.18","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 Al2 O2 -","- C22 H30 Al2 O2 -","- C88 H120 Al8 O8 -","4","1","","Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias","Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.","Chemical science","2024","16","1","147","155","10.1039/d4sc06940d","","","0.71073","MoKα","","0.08","0.0563","","","0.1451","0.1612","","","","","","1.039","","","","has coordinates,has disorder","298096","2025-03-04","19:02:14",""
"1573214","6.5459","0.0006","7.4134","0.0004","27.118","0.003","90","","96.115","0.009","90","","1308.5","0.2","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Br O3 -","- C14 H13 Br O3 -","- C56 H52 Br4 O12 -","4","1","","Xu, Zurong; Zhu, Dong; Wu, Rui; Zhu, Shifa","Tandem Rh(ii)-catalyzed 1,3-acyloxy migration/intermolecular [2 + 2] cycloaddition of electron-deficient propargylic esters with alkenes and alkynes.","Chemical science","2024","16","1","205","210","10.1039/d4sc06458e","","x-ray","1.54184","CuKα","","0.1251","0.1137","","","0.3452","0.3523","","","","","","2.595","","","","has coordinates,has disorder","298102","2025-03-04","19:05:17",""
"1573215","6.7856","0.0004","6.0442","0.0004","16.6292","0.0009","90","","92.683","0.005","90","","681.27","0.07","149.99","0.1","149.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H14 O5 -","- C16 H14 O5 -","- C32 H28 O10 -","2","1","","Xu, Zurong; Zhu, Dong; Wu, Rui; Zhu, Shifa","Tandem Rh(ii)-catalyzed 1,3-acyloxy migration/intermolecular [2 + 2] cycloaddition of electron-deficient propargylic esters with alkenes and alkynes.","Chemical science","2024","16","1","205","210","10.1039/d4sc06458e","","x-ray","1.54184","CuKα","","0.0853","0.0834","","","0.2455","0.2464","","","","","","1.141","","","","has coordinates","298102","2025-03-04","19:05:17",""
"1573216","10.8995","0.0005","16.7093","0.0008","13.8142","0.0006","90","","108.662","0.002","90","","2383.61","0.19","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 Cu2 I3 N5 O -","- C17 H24 Cu2 I3 N5 O -","- C68 H96 Cu8 I12 N20 O4 -","4","1","","Chen, Jingwen; Zhou, Kang; Li, Jingbai; Xu, Guozhong; Hei, Xiuze; Li, Jing","Strongly photoluminescent and radioluminescent copper(i) iodide hybrid materials made of coordinated ionic chains.","Chemical science","2025","16","3","1106","1114","10.1039/d4sc06242f","","","0.71073","MoKα","","0.0753","0.054","","","0.1045","0.1117","","","","","","1.257","","","","has coordinates,has disorder","298166","2025-03-04","19:33:57",""
"1573217","11.453","0.0013","17.025","0.002","12.8883","0.0013","90","","94.855","0.003","90","","2504","0.5","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Cu2 I3 N5 O -","- C18 H26 Cu2 I3 N5 O -","- C72 H104 Cu8 I12 N20 O4 -","4","1","","Chen, Jingwen; Zhou, Kang; Li, Jingbai; Xu, Guozhong; Hei, Xiuze; Li, Jing","Strongly photoluminescent and radioluminescent copper(i) iodide hybrid materials made of coordinated ionic chains.","Chemical science","2025","16","3","1106","1114","10.1039/d4sc06242f","","","0.71073","MoKα","","0.0861","0.0605","","","0.124","0.1352","","","","","","1.166","","","","has coordinates,has disorder","298166","2025-03-04","19:33:58",""
"1573218","10.1107","0.0015","11.2297","0.0018","11.9172","0.0017","73.93","0.006","67.168","0.005","71.862","0.006","1166.1","0.3","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H47 Cu4 I6 N9 O2 -","- C34 H47 Cu4 I6 N9 O2 -","- C34 H47 Cu4 I6 N9 O2 -","1","0.5","","Chen, Jingwen; Zhou, Kang; Li, Jingbai; Xu, Guozhong; Hei, Xiuze; Li, Jing","Strongly photoluminescent and radioluminescent copper(i) iodide hybrid materials made of coordinated ionic chains.","Chemical science","2025","16","3","1106","1114","10.1039/d4sc06242f","","","0.71073","MoKα","","0.0554","0.0436","","","0.0969","0.1023","","","","","","1.15","","","","has coordinates,has disorder","298166","2025-03-04","19:33:58",""
"1573219","11.4886","0.001","13.4361","0.001","15.0603","0.0012","90","","98.972","0.003","90","","2296.3","0.3","200","","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 Cu2 I3 N4 O2 -","- C15 H19 Cu2 I3 N4 O2 -","- C60 H76 Cu8 I12 N16 O8 -","4","1","","Chen, Jingwen; Zhou, Kang; Li, Jingbai; Xu, Guozhong; Hei, Xiuze; Li, Jing","Strongly photoluminescent and radioluminescent copper(i) iodide hybrid materials made of coordinated ionic chains.","Chemical science","2025","16","3","1106","1114","10.1039/d4sc06242f","","","0.71073","MoKα","","0.0721","0.0506","","","0.1209","0.1343","","","","","","1.087","","","","has coordinates,has disorder","298166","2025-03-04","19:33:58",""
"1573220","8.585","0.002","12.11","0.003","29.773","0.006","90","","90.461","0.009","90","","3095.2","1.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Pt-H_PtBu3_2-CH3CN [BF3]","","- C26 H58 B F4 N P2 Pt -","- C26 H58 B F4 N P2 Pt -","- C104 H232 B4 F16 N4 P8 Pt4 -","4","1","","Atterberry, Benjamin A.; Wimmer, Erik J.; Klostermann, Sina; Frey, Wolfgang; Kästner, Johannes; Estes, Deven P.; Rossini, Aaron J.","Structural characterization of surface immobilized platinum hydrides by sensitivity-enhanced <sup>195</sup>Pt solid state NMR spectroscopy and DFT calculations.","Chemical science","2025","16","3","1271","1287","10.1039/d4sc06450j","","","0.71073","MoKα","","0.1365","0.0863","","","0.1705","0.198","","","","","","1.046","","","","has coordinates","298164","2025-03-04","19:32:54",""
"1573221","11.5231","0.0004","16.5896","0.0004","16.5713","0.0005","90","","106.8","0.002","90","","3032.63","0.16","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Pt-H_PtBu3_2-H2O [BF3]","","- C24 H57 B F4 O P2 Pt -","- C24 H57 B F4 O P2 Pt -","- C96 H228 B4 F16 O4 P8 Pt4 -","4","1","","Atterberry, Benjamin A.; Wimmer, Erik J.; Klostermann, Sina; Frey, Wolfgang; Kästner, Johannes; Estes, Deven P.; Rossini, Aaron J.","Structural characterization of surface immobilized platinum hydrides by sensitivity-enhanced <sup>195</sup>Pt solid state NMR spectroscopy and DFT calculations.","Chemical science","2025","16","3","1271","1287","10.1039/d4sc06450j","","","0.71073","MoKα","","0.0839","0.0412","","","0.0523","0.0611","","","","","","1.014","","","","has coordinates","298164","2025-03-04","19:32:54",""
"1573222","11.1587","0.0003","19.7667","0.0005","16.9439","0.0005","90","","96.666","0.001","90","","3712.06","0.18","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","Pt-H_PtBu3_2 [BF3]","","- C26 H59 B Cl4 F4 P2 Pt -","- C26 H59 B Cl4 F4 P2 Pt -","- C104 H236 B4 Cl16 F16 P8 Pt4 -","4","1","","Atterberry, Benjamin A.; Wimmer, Erik J.; Klostermann, Sina; Frey, Wolfgang; Kästner, Johannes; Estes, Deven P.; Rossini, Aaron J.","Structural characterization of surface immobilized platinum hydrides by sensitivity-enhanced <sup>195</sup>Pt solid state NMR spectroscopy and DFT calculations.","Chemical science","2025","16","3","1271","1287","10.1039/d4sc06450j","","","0.71073","MoKα","","0.0269","0.0239","","","0.0512","0.0523","","","","","","1.033","","","","has coordinates,has disorder","298164","2025-03-04","19:32:54",""
"1573223","14.0277","0.0006","31.9593","0.0012","20.8847","0.0008","90","","90","","90","","9362.9","0.6","120","","120","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C70 H92 Cl2 N6 O26 Zr6 -","- C58 H64 Cl2 N2 O22 Zr6 -","- C232 H256 Cl8 N8 O88 Zr24 -","4","0.5","","Morey, Merissa N.; Montone, Christine M.; Dworzak, Michael R.; Yap, Glenn P. A.; Bloch, Eric D.","Tunable synthesis of heteroleptic zirconium-based porous coordination cages.","Chemical science","2025","16","2","816","823","10.1039/d4sc06023g","","","1.54178","CuKα","","0.1161","0.1118","","","0.2385","0.2408","","","","","","1.17","","","","has coordinates,has disorder","298125","2025-03-04","19:17:40",""
"1573224","10.5045","0.0011","6.2032","0.0005","13.9819","0.0013","90","","102.093","0.01","90","","890.86","0.15","197.15","","197.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H5 As S2 -","- C9 H5 As S2 -","- C36 H20 As4 S8 -","4","1","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: stable and planar π-extended arsabenzenes.","Chemical science","2025","16","3","1126","1135","10.1039/d4sc06590e","","x-ray","0.71073","MoKα","","0.0422","0.0363","","","0.0963","0.1018","","","","","","1.079","","","","has coordinates","298156","2025-03-04","19:29:41",""
"1573225","13.4892","0.0012","8.5408","0.0007","23.219","0.002","90","","97.422","0.009","90","","2652.6","0.4","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H9 As S2 -","- C17 H9 As S2 -","- C136 H72 As8 S16 -","8","1","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: stable and planar π-extended arsabenzenes.","Chemical science","2025","16","3","1126","1135","10.1039/d4sc06590e","","x-ray","0.71073","MoKα","","0.083","0.0461","","","0.0847","0.1027","","","","","","0.993","","","","has coordinates","298156","2025-03-04","19:29:42",""
"1573226","13.1348","0.0011","8.5422","0.0005","12.1986","0.001","90","","93.983","0.008","90","","1365.38","0.18","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H9 As S2 -","- C17 H9 As S2 -","- C68 H36 As4 S8 -","4","1","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: stable and planar π-extended arsabenzenes.","Chemical science","2025","16","3","1126","1135","10.1039/d4sc06590e","","x-ray","0.71073","MoKα","","0.1277","0.0622","","","0.1284","0.1643","","","","","","1.112","","","","has coordinates,has disorder","298156","2025-03-04","19:29:42",""
"1573227","13.2423","0.0008","8.4253","0.0006","23.582","0.0015","90","","97.092","0.006","90","","2610.9","0.3","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H9 P S2 -","- C17 H9 P S2 -","- C136 H72 P8 S16 -","8","1","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: stable and planar π-extended arsabenzenes.","Chemical science","2025","16","3","1126","1135","10.1039/d4sc06590e","","x-ray","0.71073","MoKα","","0.0437","0.0359","","","0.0902","0.0963","","","","","","1.096","","","","has coordinates","298156","2025-03-04","19:29:42",""
"1573228","7.4187","0.0003","13.2453","0.0005","17.9755","0.0007","77.315","0.003","81.898","0.004","76.885","0.004","1670.53","0.12","180.15","","180.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H20 O3 P2 S4 -","- C34 H20 O3 P2 S4 -","- C68 H40 O6 P4 S8 -","2","1","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: stable and planar π-extended arsabenzenes.","Chemical science","2025","16","3","1126","1135","10.1039/d4sc06590e","","","1.54184","CuKα","","0.1263","0.1064","","","0.288","0.3047","","","","","","1.048","","","","has coordinates,has disorder","298156","2025-03-04","19:29:42",""
"1573229","8.0954","0.0006","11.366","0.0007","15.4655","0.0008","87.822","0.005","85.309","0.005","80.114","0.006","1396.77","0.16","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H16 As2 S4 -","- C34 H16 As2 S4 -","- C68 H32 As4 S8 -","2","1","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: stable and planar π-extended arsabenzenes.","Chemical science","2025","16","3","1126","1135","10.1039/d4sc06590e","","x-ray","0.71073","MoKα","","0.0609","0.0421","","","0.0969","0.1076","","","","","","1.016","","","","has coordinates","298156","2025-03-04","19:29:42",""
"1573230","14.5703","0.0009","3.9421","0.0003","23.8017","0.0018","90","","99.317","0.007","90","","1349.08","0.17","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H9 As S2 -","- C17 H9 As S2 -","- C68 H36 As4 S8 -","4","1","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: stable and planar π-extended arsabenzenes.","Chemical science","2025","16","3","1126","1135","10.1039/d4sc06590e","","x-ray","0.71073","MoKα","","0.0685","0.0503","","","0.1254","0.1369","","","","","","1.053","","","","has coordinates","298156","2025-03-04","19:29:42",""
"1573231","10.403","0.0004","14.0494","0.0005","10.7101","0.0004","90","","99.246","0.003","90","","1545.01","0.1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 As O4 S2 -","- C15 H11 As O4 S2 -","- C60 H44 As4 O16 S8 -","4","1","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: stable and planar π-extended arsabenzenes.","Chemical science","2025","16","3","1126","1135","10.1039/d4sc06590e","","x-ray","0.71073","MoKα","","0.0359","0.0328","","","0.0895","0.0931","","","","","","1.034","","","","has coordinates","298156","2025-03-04","19:29:42",""
"1573232","6.1248","0.0003","11.3296","0.0006","12.9122","0.0007","90","","95.535","0.006","90","","891.82","0.08","100","","100","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C9 H5 As S2 -","- C9 H5 As S2 -","- C36 H20 As4 S8 -","4","2","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: stable and planar π-extended arsabenzenes.","Chemical science","2025","16","3","1126","1135","10.1039/d4sc06590e","","x-ray","0.71073","MoKα","","0.0339","0.0299","","","0.0712","0.0737","","","","","","1.037","","","","has coordinates,has disorder","298156","2025-03-04","19:29:42",""
"1573233","7.312","0.0005","10.1653","0.0008","11.2954","0.0008","92.355","0.006","106.909","0.006","100.48","0.006","785.92","0.1","256","","256","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H5 As O5 S2 W -","- C14 H5 As O5 S2 W -","- C28 H10 As2 O10 S4 W2 -","2","1","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: stable and planar π-extended arsabenzenes.","Chemical science","2025","16","3","1126","1135","10.1039/d4sc06590e","","x-ray","0.71073","MoKα","","0.1186","0.0985","","","0.259","0.2985","","","","","","1.105","","","","has coordinates","298156","2025-03-04","19:29:42",""
"1573234","16.1897","0.0005","7.1373","0.0003","31.4478","0.0009","90","","90.732","0.003","90","","3633.5","0.2","100","","100","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C23 H13 As S2 -","- C23 H13 As S2 -","- C184 H104 As8 S16 -","8","1","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: stable and planar π-extended arsabenzenes.","Chemical science","2025","16","3","1126","1135","10.1039/d4sc06590e","","x-ray","0.71073","MoKα","","0.0359","0.0345","","","0.0909","0.0919","","","","","","1.084","","","","has coordinates","298156","2025-03-04","19:29:42",""
"1573235","17.8326","0.0012","7.736","0.0006","30.234","0.0015","90","","90","","90","","4170.9","0.5","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H15 As O4 S2 -","- C23 H15 As O4 S2 -","- C184 H120 As8 O32 S16 -","8","2","","Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki","Dithienoarsinines: stable and planar π-extended arsabenzenes.","Chemical science","2025","16","3","1126","1135","10.1039/d4sc06590e","","x-ray","0.71073","MoKα","","0.0502","0.0412","","","0.0921","0.099","","","","","","1.056","","","","has coordinates","298156","2025-03-04","19:29:42",""
"1573236","6.499","0.003","11.218","0.004","17.798","0.008","97.448","0.014","93.423","0.014","90.73","0.02","1284.1","0.9","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H24 N2 O -","- C37 H24 N2 O -","- C74 H48 N4 O2 -","2","1","","Dai, Hui; Liang, Yaohui; Long, Xiang; Tang, Tianyi; Xie, Haozhi; Ma, Zhiwei; Li, Gaoyu; Yang, Zhan; Zhao, Juan; Chi, Zhenguo","An effective design strategy for thermally activated delayed fluorescence emitters with aggregation-induced emission to enable sky-blue OLEDs that achieve an EQE of nearly 30.","Chemical science","2024","16","1","156","162","10.1039/d4sc06613h","","","1.34138","GaKα","","0.1119","0.0614","","","0.147","0.1763","","","","","","1.019","","","","has coordinates","298100","2025-03-04","19:04:33",""
"1573237","5.7116","0.0005","12.3669","0.0009","18.667","0.0014","102.633","0.006","91.04","0.006","92.503","0.006","1284.87","0.18","149.99","0.1","149.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C37 H22 N2 O2 -","- C37 H22 N2 O2 -","- C74 H44 N4 O4 -","2","1","","Dai, Hui; Liang, Yaohui; Long, Xiang; Tang, Tianyi; Xie, Haozhi; Ma, Zhiwei; Li, Gaoyu; Yang, Zhan; Zhao, Juan; Chi, Zhenguo","An effective design strategy for thermally activated delayed fluorescence emitters with aggregation-induced emission to enable sky-blue OLEDs that achieve an EQE of nearly 30.","Chemical science","2024","16","1","156","162","10.1039/d4sc06613h","","x-ray","0.71073","MoKα","","0.1437","0.0737","","","0.1544","0.195","","","","","","0.991","","","","has coordinates","298100","2025-03-04","19:04:35",""
"1573254","8.9329","0.0004","9.2591","0.0003","11.0005","0.0004","97.817","0.003","98.36","0.003","109.228","0.004","833.34","0.06","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C11 H15 Ag F6 N5 P -","- C11 H15 Ag F6 N5 P -","- C22 H30 Ag2 F12 N10 P2 -","2","1","","Chen, Zhe; Ouyang, Laofeng; Wang, Ning; Li, Weikang; Ke, Zhuofeng","Remote C-H bond cooperation strategy enabled silver catalyzed borrowing hydrogen reactions.","Chemical science","2024","16","1","163","170","10.1039/d4sc05486e","","x-ray","1.54184","CuKα","","0.0617","0.0599","","","0.1432","0.1471","","","","","","1.078","","","","has coordinates","298097","2025-03-04","19:02:32",""
"1573255","11.2729","0.0013","21.486","0.002","6.9612","0.0007","90","","111.597","0.005","90","","1567.7","0.3","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 Ag F6 N4 P -","- C10 H16 Ag F6 N4 P -","- C40 H64 Ag4 F24 N16 P4 -","4","0.5","","Chen, Zhe; Ouyang, Laofeng; Wang, Ning; Li, Weikang; Ke, Zhuofeng","Remote C-H bond cooperation strategy enabled silver catalyzed borrowing hydrogen reactions.","Chemical science","2024","16","1","163","170","10.1039/d4sc05486e","","","1.34138","GaKα","","0.0584","0.0498","","","0.1459","0.1539","","","","","","1.145","","","","has coordinates","301679","2025-08-07","05:51:25",""
"1573256","28.333","0.003","43.635","0.004","40.669","0.004","90","","90","","90","","50280","9","101","","101","","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C760 H564 Cd16 N96 O16 -","- C760 H564 Cd16 N96 O16 -","- C1520 H1128 Cd32 N192 O32 -","2","0.125","","Li, Yu-Qing; Zhao, He; Han, Ermeng; Jiang, Zhiyuan; Bai, Qixia; Guan, Yu-Ming; Zhang, Zhe; Wu, Tun; Wang, Pingshan","Dynamic selection in metallo-organic cube Cd<sup>II</sup> <sub>8</sub>L<sub>4</sub> conformations induced by perfluorooctanoate encapsulation.","Chemical science","2024","16","1","364","370","10.1039/d4sc07105k","","","1.34139","GaKα","","0.1581","0.1346","","","0.3925","0.4217","","","","","","1.826","","","","has coordinates","298101","2025-03-04","19:05:06",""
"1573269","43.6143","0.0009","10.572","0.0002","25.1335","0.0007","90","","98.309","0.002","90","","11467.2","0.5","150","2","150","0.1","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C166 H123 -","- C166 H123 -","- C664 H492 -","4","0.5","","Sanderson, Hugh J.; Helbig, Andreas; Kociok-Köhn, Gabriele; Helten, Holger; Hintermair, Ulrich","Reversible formation of tetraphenylpentalene, a room temperature stable antiaromatic hydrocarbon.","Chemical science","2025","16","2","952","961","10.1039/d4sc06439a","","x-ray","1.54184","CuKα","","0.0655","0.0449","","","0.0994","0.1093","","","","","","1.012","","","","has coordinates,has disorder","298124","2025-03-04","19:17:28",""
"1573270","6.0446","0.0003","34.1672","0.0012","17.5241","0.0008","90","","96.228","0.004","90","","3597.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H56 Fe P2 -","- C40 H56 Fe P2 -","- C160 H224 Fe4 P8 -","4","1","","Franz, Roman; Bartek, Máté; Bruhn, Clemens; Kelemen, Zsolt; Pietschnig, Rudolf","P<sup>+</sup> addition and transfer involving a tetraphosphenium ion.","Chemical science","2024","16","1","139","146","10.1039/d4sc06823h","","x-ray","0.71073","MoKα","","0.1228","0.0731","","","0.1798","0.2146","","","","","","1.034","","","","has coordinates,has disorder","298098","2025-03-04","19:02:45",""
"1573271","10.9377","0.0005","15.3369","0.0005","13.4763","0.0006","90","","107.121","0.003","90","","2160.47","0.16","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 B F4 Fe P3 -","- C18 H28 B F4 Fe P3 -","- C72 H112 B4 F16 Fe4 P12 -","4","1","","Franz, Roman; Bartek, Máté; Bruhn, Clemens; Kelemen, Zsolt; Pietschnig, Rudolf","P<sup>+</sup> addition and transfer involving a tetraphosphenium ion.","Chemical science","2024","16","1","139","146","10.1039/d4sc06823h","","x-ray","0.71073","MoKα","","0.035","0.0283","","","0.0688","0.0724","","","","","","1.048","","","","has coordinates","298098","2025-03-04","19:02:45",""
"1573272","9.2572","0.0009","16.6386","0.0016","18.679","0.0018","96.852","0.008","99.363","0.008","94.47","0.008","2804.5","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H58 Al2 Cl12 Fe P4 -","- C42 H58 Al2 Cl12 Fe P4 -","- C84 H116 Al4 Cl24 Fe2 P8 -","2","1","","Franz, Roman; Bartek, Máté; Bruhn, Clemens; Kelemen, Zsolt; Pietschnig, Rudolf","P<sup>+</sup> addition and transfer involving a tetraphosphenium ion.","Chemical science","2024","16","1","139","146","10.1039/d4sc06823h","","","1.54186","CuKα","","0.1954","0.1378","","","0.3601","0.4083","","","","","","1.049","","","","has coordinates","298098","2025-03-04","19:02:45",""
"1573273","9.9283","0.0003","32.1189","0.0007","10.3633","0.0003","90","","112.542","0.004","90","","3052.23","0.17","199.99","0.1","199.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H51 O4 Si3 Y -","- C20 H51 O4 Si3 Y -","- C80 H204 O16 Si12 Y4 -","4","1","","Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L.","Stabilization of reactive rare earth alkyl complexes through mechanistic studies.","Chemical science","2024","16","1","280","287","10.1039/d4sc05983b","","x-ray","1.54184","CuKα","","0.0563","0.049","","","0.144","0.1499","","","","","","1.07","","","","has coordinates","298094","2025-03-04","18:59:25",""
"1573274","10.6318","0.0003","9.5844","0.0003","29.2885","0.0007","90","","90.415","0.002","90","","2984.4","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Lur3G3","","- C20 H51 Lu O4 Si3 -","- C20 H51 Lu O4 Si3 -","- C80 H204 Lu4 O16 Si12 -","4","1","","Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L.","Stabilization of reactive rare earth alkyl complexes through mechanistic studies.","Chemical science","2024","16","1","280","287","10.1039/d4sc05983b","","x-ray","0.71073","MoKα","","0.0253","0.024","","","0.0558","0.0566","","","","","","1.09","","","","has coordinates","298094","2025-03-04","18:59:25",""
"1573275","19.0642","0.0001","15.9861","0.0001","19.1033","0.0001","90","","107.166","0.001","90","","5562.62","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H47 Lu O3 Si3 -","- C18 H47 Lu O3 Si3 -","- C144 H376 Lu8 O24 Si24 -","8","2","","Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L.","Stabilization of reactive rare earth alkyl complexes through mechanistic studies.","Chemical science","2024","16","1","280","287","10.1039/d4sc05983b","","x-ray","1.54184","CuKα","","0.036","0.0338","","","0.0893","0.0911","","","","","","1.078","","","","has coordinates,has disorder","298094","2025-03-04","18:59:25",""
"1573276","10.2696","0.0001","15.0304","0.0001","17.6083","0.0001","90","","90","","90","","2717.95","0.04","100","0.11","100","0.11","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H49 N2 Sc Si3 -","- C18 H49 N2 Sc Si3 -","- C72 H196 N8 Sc4 Si12 -","4","1","","Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L.","Stabilization of reactive rare earth alkyl complexes through mechanistic studies.","Chemical science","2024","16","1","280","287","10.1039/d4sc05983b","","x-ray","1.54184","CuKα","","0.026","0.0258","","","0.068","0.0682","","","","","","1.07","","","","has coordinates,has disorder","298094","2025-03-04","18:59:25",""
"1573277","9.7614","0.0001","16.1956","0.0002","17.1923","0.0002","90","","90","","90","","2717.96","0.05","99.97","0.11","99.97","0.11","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H49 Lu N2 Si3 -","- C18 H49 Lu N2 Si3 -","- C72 H196 Lu4 N8 Si12 -","4","1","","Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L.","Stabilization of reactive rare earth alkyl complexes through mechanistic studies.","Chemical science","2024","16","1","280","287","10.1039/d4sc05983b","","x-ray","1.54184","CuKα","","0.0397","0.0389","","","0.0907","0.0909","","","","","","1.049","","","","has coordinates","298094","2025-03-04","18:59:25",""
"1573278","9.4868","0.0001","15.7772","0.0001","18.6972","0.0001","90","","101.956","0.001","90","","2737.8","0.04","99.98","0.1","99.98","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H47 O3 Sc Si3 -","- C18 H47 O3 Sc Si3 -","- C72 H188 O12 Sc4 Si12 -","4","1","","Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L.","Stabilization of reactive rare earth alkyl complexes through mechanistic studies.","Chemical science","2024","16","1","280","287","10.1039/d4sc05983b","","x-ray","1.54184","CuKα","","0.0315","0.0303","","","0.0841","0.0851","","","","","","1.11","","","","has coordinates","298094","2025-03-04","18:59:25",""
"1573279","9.8737","0.0001","16.2253","0.0001","17.3545","0.0001","90","","90","","90","","2780.26","0.04","99.9","0.4","99.9","0.4","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H49 N2 Si3 Sm -","- C18 H49 N2 Si3 Sm -","- C72 H196 N8 Si12 Sm4 -","4","1","","Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L.","Stabilization of reactive rare earth alkyl complexes through mechanistic studies.","Chemical science","2024","16","1","280","287","10.1039/d4sc05983b","","x-ray","1.54184","CuKα","","0.0313","0.0311","","","0.0855","0.0856","","","","","","1.111","","","","has coordinates","298094","2025-03-04","18:59:25",""
"1573280","16.9327","0.0002","9.5169","0.0001","18.2023","0.0002","90","","90","","90","","2933.24","0.06","100","0.1","100","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H49 P2 Sc Si3 -","- C18 H49 P2 Sc Si3 -","- C72 H196 P8 Sc4 Si12 -","4","1","","Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L.","Stabilization of reactive rare earth alkyl complexes through mechanistic studies.","Chemical science","2024","16","1","280","287","10.1039/d4sc05983b","","x-ray","1.54184","CuKα","","0.0604","0.0598","","","0.1431","0.1435","","","","","","1.08","","","","has coordinates","298094","2025-03-04","18:59:25",""
"1573281","11.1358","0.0002","18.3119","0.0003","13.4974","0.0002","90","","92.304","0.002","90","","2750.13","0.08","99.99","0.11","99.99","0.11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H47 O3 Si3 Y -","- C18 H47 O3 Si3 Y -","- C72 H188 O12 Si12 Y4 -","4","1","","Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L.","Stabilization of reactive rare earth alkyl complexes through mechanistic studies.","Chemical science","2024","16","1","280","287","10.1039/d4sc05983b","","x-ray","0.71073","MoKα","","0.0389","0.0302","","","0.0531","0.0547","","","","","","1.099","","","","has coordinates","298094","2025-03-04","18:59:25",""
"1573282","10.4969","0.0001","18.0432","0.0001","18.0533","0.0001","90","","90","","90","","3419.25","0.04","99.98","0.13","99.98","0.13","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H57 Lu O P2 Si3 -","- C22 H57 Lu O P2 Si3 -","- C88 H228 Lu4 O4 P8 Si12 -","4","1","","Tanuhadi, Elias; Bair, Anna S.; Johnson, Mary; Fontaine, Philip; Klosin, Jerzy; Pal, Sudipta; Arnold, Polly L.","Stabilization of reactive rare earth alkyl complexes through mechanistic studies.","Chemical science","2024","16","1","280","287","10.1039/d4sc05983b","","x-ray","1.54184","CuKα","","0.0305","0.0299","","","0.082","0.0825","","","","","","1.063","","","","has coordinates,has disorder","298094","2025-03-04","18:59:25",""
"1573286","8.9321","0.0004","25.8402","0.0011","16.2519","0.0007","90","","95.622","0.002","90","","3733","0.3","253","2","253","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H28 Cl4 P2 Pt -","- C35 H28 Cl4 P2 Pt -","- C140 H112 Cl16 P8 Pt4 -","4","1","","Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.","Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization.","Chemical science","2024","16","1","255","279","10.1039/d4sc05396f","","","0.71073","MoKα","","0.0563","0.0443","","","0.1265","0.1315","","","","","","1.118","","","","has coordinates,has disorder","298103","2025-03-04","19:05:55",""
"1573287","8.7241","0.0004","18.1674","0.0009","24.8336","0.0012","90","","90.885","0.002","90","","3935.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H42 Cl2 O2 P2 -","- C43 H42 Cl2 O2 P2 -","- C172 H168 Cl8 O8 P8 -","4","1","","Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.","Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization.","Chemical science","2024","16","1","255","279","10.1039/d4sc05396f","","","0.71073","MoKα","","0.0592","0.0463","","","0.122","0.1316","","","","","","1.037","","","","has coordinates,has disorder","298103","2025-03-04","19:05:55",""
"1573288","10.2044","0.0005","19.1296","0.0008","24.2065","0.0012","90","","90.207","0.003","90","","4725.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H28 F24 O2 P2 -","- C47 H28 F24 O2 P2 -","- C188 H112 F96 O8 P8 -","4","1","","Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.","Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization.","Chemical science","2024","16","1","255","279","10.1039/d4sc05396f","","","0.71073","MoKα","","0.0802","0.063","","","0.1679","0.1821","","","","","","1.018","","","","has coordinates,has disorder","298103","2025-03-04","19:05:55",""
"1573289","13.4013","0.0013","23.743","0.002","14.4223","0.0013","90","","99.623","0.004","90","","4524.4","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H18 Cl2 F24 P2 Pt -","- C42 H18 Cl2 F24 P2 Pt -","- C168 H72 Cl8 F96 P8 Pt4 -","4","1","","Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.","Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization.","Chemical science","2024","16","1","255","279","10.1039/d4sc05396f","","","0.71073","MoKα","","0.048","0.0338","","","0.0691","0.074","","","","","","1.019","","","","has coordinates,has disorder","298103","2025-03-04","19:05:55",""
"1573290","9.1022","0.0006","9.6658","0.0007","20.7479","0.0013","91.7747","0.0018","92.4701","0.0018","102.405","0.002","1779.6","0.2","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C42 H40 P2 -","- C42 H40 P2 -","- C84 H80 P4 -","2","1","","Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.","Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization.","Chemical science","2024","16","1","255","279","10.1039/d4sc05396f","","","0.71073","MoKα","","0.0788","0.0569","","0.1878","0.1728","0.1878","","","","","","1.0066","","","","has coordinates","298103","2025-03-04","19:05:55",""
"1573291","16.5978","0.0013","19.5096","0.0013","18.9329","0.0014","90","","90","","90","","6130.8","0.8","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C42 H42 Cl2 P2 Pt -","- C42 H42 Cl2 P2 Pt -","- C168 H168 Cl8 P8 Pt4 -","4","0.5","","Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.","Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization.","Chemical science","2024","16","1","255","279","10.1039/d4sc05396f","","","0.71073","MoKα","","0.0543","0.029","","","0.0698","0.0775","","","","","","1.08","","","","has coordinates","298103","2025-03-04","19:05:55",""
"1573292","7.5197","0.0006","17.6155","0.0013","17.7459","0.0013","90","","95.268","0.002","90","","2340.8","0.3","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 Cl2 P2 Pt -","- C22 H34 Cl2 P2 Pt -","- C88 H136 Cl8 P8 Pt4 -","4","1","","Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.","Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization.","Chemical science","2024","16","1","255","279","10.1039/d4sc05396f","","","0.71073","MoKα","","0.0688","0.0498","","0.1448","0.1268","0.1448","","","","","","1.0824","","","","has coordinates","298103","2025-03-04","19:05:55",""
"1573293","19.6329","0.0007","14.5514","0.0005","18.4286","0.0007","90","","113.829","0.001","90","","4816","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Cl2 P2 Pt -","- C22 H32 Cl2 P2 Pt -","- C176 H256 Cl16 P16 Pt8 -","8","2","","Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.","Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization.","Chemical science","2024","16","1","255","279","10.1039/d4sc05396f","","","0.71073","MoKα","","0.0417","0.0236","","0.0615","0.0501","0.0608","","","","","","1.0081","","","","has coordinates","298103","2025-03-04","19:05:55",""
"1573294","10.297","0.003","21.652","0.005","19.471","0.005","90","","104.527","0.01","90","","4202.3","1.9","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H24 Cl4 F12 P2 Pt -","- C39 H24 Cl4 F12 P2 Pt -","- C156 H96 Cl16 F48 P8 Pt4 -","4","1","","Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.","Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization.","Chemical science","2024","16","1","255","279","10.1039/d4sc05396f","","","0.71073","MoKα","","0.0952","0.0588","","0.1642","0.1374","0.1635","","","","","","1.0016","","","","has coordinates,has disorder","298103","2025-03-04","19:05:55",""
"1573295","18.2822","0.0014","17.4936","0.0012","15.4479","0.0018","90","","124.678","0.003","90","","4062.9","0.6","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H16 F24 P2 -","- C42 H16 F24 P2 -","- C168 H64 F96 P8 -","4","0.5","","Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.","Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization.","Chemical science","2024","16","1","255","279","10.1039/d4sc05396f","","","0.71073","MoKα","","0.0754","0.0634","","0.1765","0.1648","0.1764","","","","","","0.994","","","","has coordinates,has disorder","298103","2025-03-04","19:05:55",""
"1573296","12.3782","0.001","21.2832","0.0016","17.4143","0.0015","90","","90.947","0.004","90","","4587.1","0.6","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H16 Cl2 F24 P2 Pt -","- C42 H16 Cl2 F24 P2 Pt -","- C168 H64 Cl8 F96 P8 Pt4 -","4","1","","Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.","Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization.","Chemical science","2024","16","1","255","279","10.1039/d4sc05396f","","","0.71073","MoKα","","0.0339","0.0288","","0.0723","0.0694","0.0723","","","","","","1.0357","","","","has coordinates,has disorder","298103","2025-03-04","19:05:55",""
"1573297","22.317","0.003","21.114","0.002","21.952","0.003","90","","90","","90","","10344","2","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C92 H96 Cl20 P4 Pt2 -","- C92 H96 Cl20 P4 Pt2 -","- C368 H384 Cl80 P16 Pt8 -","4","0.5","","Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.","Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization.","Chemical science","2024","16","1","255","279","10.1039/d4sc05396f","","","0.71073","MoKα","","0.0856","0.0598","","","0.1282","0.1403","","","","","","1.176","","","","has coordinates,has disorder","298103","2025-03-04","19:05:55",""
"1573298","10.0737","0.0002","16.5107","0.0004","12.7562","0.0003","90","","104.639","0.001","90","","2052.79","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Eu N6 O11 -","- C15 H16 Eu N6 O11 -","- C60 H64 Eu4 N24 O44 -","4","1","","Sorace, Lorenzo; Dmitriev, Alexey A.; Perfetti, Mauro; Vostrikova, Kira E.","Slow magnetic relaxation and strong magnetic coupling in the nitroxyl radical complexes of lanthanide(iii) with diamagnetic ground state (Ln = Lu, Eu).","Chemical science","2024","16","1","218","232","10.1039/d4sc05035e","","","0.71073","MoKα","","0.1226","0.055","","","0.0902","0.1167","","","","","","1.029","","","","has coordinates","298091","2025-03-04","18:57:52",""
"1573299","9.9511","0.0002","16.4632","0.0004","12.8156","0.0003","90","","104.088","0.001","90","","2036.39","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Lu N6 O11 -","- C15 H16 Lu N6 O11 -","- C60 H64 Lu4 N24 O44 -","4","1","","Sorace, Lorenzo; Dmitriev, Alexey A.; Perfetti, Mauro; Vostrikova, Kira E.","Slow magnetic relaxation and strong magnetic coupling in the nitroxyl radical complexes of lanthanide(iii) with diamagnetic ground state (Ln = Lu, Eu).","Chemical science","2024","16","1","218","232","10.1039/d4sc05035e","","","0.71073","MoKα","","0.0159","0.0149","","","0.0312","0.0316","","","","","","1.058","","","","has coordinates","298091","2025-03-04","18:57:53",""
"1573300","9.9067","0.0002","11.5214","0.0003","11.6032","0.0003","93.702","0.002","109.012","0.002","103.102","0.002","1205.68","0.05","149.99","0.1","149.99","0.1","","","","","","","","4","P 1","P 1","1","","","","- C30 H25 N O3 -","- C30 H25 N O3 -","- C60 H50 N2 O6 -","2","2","","He, Yicheng; Yan, Biwei; Ma, Cheng; Ni, Shaofei; Guo, Wusheng","Ni-catalyzed asymmetric decarboxylation for the construction of carbocycles with contiguous quaternary carbon stereocenters.","Chemical science","2025","16","2","834","839","10.1039/d4sc06849a","","x-ray","1.54184","CuKα","","0.0403","0.0392","","","0.1031","0.1045","","","","","","1.04","","","","has coordinates,has disorder","298123","2025-03-04","19:17:13",""
"1573301","7.51317","0.00015","15.2775","0.0003","21.463","0.0004","90","","90","","90","","2463.58","0.08","149.99","0.1","149.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 N O3 -","- C30 H27 N O3 -","- C120 H108 N4 O12 -","4","1","","He, Yicheng; Yan, Biwei; Ma, Cheng; Ni, Shaofei; Guo, Wusheng","Ni-catalyzed asymmetric decarboxylation for the construction of carbocycles with contiguous quaternary carbon stereocenters.","Chemical science","2025","16","2","834","839","10.1039/d4sc06849a","","x-ray","1.54184","CuKα","","0.0367","0.0351","","","0.0884","0.0903","","","","","","1.05","","","","has coordinates","298123","2025-03-04","19:17:13",""
"1573302","6.22984","0.00013","15.4298","0.0004","22.0803","0.0005","90","","90","","90","","2122.47","0.09","170","0.1","170","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H21 N O2 -","- C28 H21 N O2 -","- C112 H84 N4 O8 -","4","1","","He, Yicheng; Yan, Biwei; Ma, Cheng; Ni, Shaofei; Guo, Wusheng","Ni-catalyzed asymmetric decarboxylation for the construction of carbocycles with contiguous quaternary carbon stereocenters.","Chemical science","2025","16","2","834","839","10.1039/d4sc06849a","","x-ray","1.54184","CuKα","","0.0357","0.0337","","","0.0863","0.0879","","","","","","1.04","","","","has coordinates","298123","2025-03-04","19:17:13",""
"1573303","10.3863","0.0002","13.163","0.0002","14.3802","0.0004","90.6959","0.0018","101.511","0.002","104.786","0.0018","1858.52","0.07","173","2","173.15","","","","","","","","","7","P -1","-P 1","2","","Cu(TFSI)2(bip)2","","- C22 H24 Cu F12 N10 O8 S4 -","- C22 H24 Cu F12 N10 O8 S4 -","- C44 H48 Cu2 F24 N20 O16 S8 -","2","1","","Nishiguchi, Taichi; Ohara, Yuki; Kadota, Kentaro; Zheng, Xin; Noro, Shin-Ichiro; Horike, Satoshi","Mechanically induced polyamorphism in a one-dimensional coordination polymer.","Chemical science","2025","16","2","621","626","10.1039/d4sc07058e","","","1.54187","CuKα","","0.0595","0.0577","","","0.1617","0.1636","","","","","","1.055","","","","has coordinates","298120","2025-03-04","19:16:02",""
"1573309","8.7161","0.0006","9.2511","0.0007","9.8844","0.0007","63.309","0.008","64.432","0.007","72.772","0.007","637.16","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H15 N3 -","- C14 H15 N3 -","- C28 H30 N6 -","2","1","","Mandal, Mrinal; Mardanya, Sukumar; Saha, Arijit; Singh, Manjeev; Ghosh, Swarnali; Chatterjee, Tanmay; Patra, Ramen; Bhunia, Surojit; Mandal, Saptarshi; Mukherjee, Soumen; Debnath, Rahul; Reddy, C. Malla; Das, Mousumi; Mandal, Prasun K.","Charge-transfer mediated J-aggregation in red emitting ultra-small-single-benzenic <i>meta</i>-fluorophore crystals.","Chemical science","2025","16","2","901","909","10.1039/d4sc06851c","","","1.54184","CuKα","","0.0942","0.0782","","","0.227","0.2367","","","","","","1.125","","","","has coordinates","298119","2025-03-04","19:15:42",""
"1573310","15.292","0.004","10.45","0.003","6.872","0.002","90","","97.614","0.01","90","","1088.5","0.5","301","2","301.05","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Mandal, Mrinal; Mardanya, Sukumar; Saha, Arijit; Singh, Manjeev; Ghosh, Swarnali; Chatterjee, Tanmay; Patra, Ramen; Bhunia, Surojit; Mandal, Saptarshi; Mukherjee, Soumen; Debnath, Rahul; Reddy, C. Malla; Das, Mousumi; Mandal, Prasun K.","Charge-transfer mediated J-aggregation in red emitting ultra-small-single-benzenic <i>meta</i>-fluorophore crystals.","Chemical science","2025","16","2","901","909","10.1039/d4sc06851c","","","0.71073","MoKα","","0.1509","0.1058","","","0.2431","0.2667","","","","","","1.126","","","","has coordinates","298119","2025-03-04","19:15:43",""
"1573368","23.5423","0.001","13.8181","0.0006","17.4303","0.0008","90","","96.371","0.0011","90","","5635.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H82 Ga2 N4 O P2 -","- C59 H82 Ga2 N4 O P2 -","- C236 H328 Ga8 N16 O4 P8 -","4","1","","Sharma, Mahendra K.; Wölper, Christoph; Siera, Hannah; Haberhauer, Gebhard; Schulz, Stephan","Synthesis and reactivity of a six-membered heterocyclic 1,3-diphosphaallene.","Chemical science","2025","16","3","1189","1196","10.1039/d4sc06371f","","","1.54178","CuKα","","0.0239","0.0238","","","0.0627","0.0628","","","","","","1.052","","","","has coordinates,has disorder","298162","2025-03-04","19:32:05",""
"1573369","26.3977","0.0009","13.4903","0.0005","40.1349","0.0013","90","","91.7723","0.0015","90","","14285.7","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H108 Ga2 N6 O P2 -","- C72 H108 Ga2 N6 O P2 -","- C576 H864 Ga16 N48 O8 P16 -","8","1","","Sharma, Mahendra K.; Wölper, Christoph; Siera, Hannah; Haberhauer, Gebhard; Schulz, Stephan","Synthesis and reactivity of a six-membered heterocyclic 1,3-diphosphaallene.","Chemical science","2025","16","3","1189","1196","10.1039/d4sc06371f","","","1.54178","CuKα","","0.0568","0.0479","","","0.1128","0.1188","","","","","","1.079","","","","has coordinates,has disorder","298162","2025-03-04","19:32:06",""
"1573370","15.1894","0.0006","13.1269","0.0005","34.6139","0.0013","90","","96.719","0.002","90","","6854.3","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H106 Ga2 N4 O P2 Si -","- C69 H106 Ga2 N4 O P2 Si -","- C276 H424 Ga8 N16 O4 P8 Si4 -","4","1","","Sharma, Mahendra K.; Wölper, Christoph; Siera, Hannah; Haberhauer, Gebhard; Schulz, Stephan","Synthesis and reactivity of a six-membered heterocyclic 1,3-diphosphaallene.","Chemical science","2025","16","3","1189","1196","10.1039/d4sc06371f","","","1.54178","CuKα","","0.0674","0.058","","","0.1255","0.1307","","","","","","1.187","","","","has coordinates,has disorder","298162","2025-03-04","19:32:06",""
"1573371","20.731","0.0004","18.24","0.0004","39.5206","0.0007","90","","95.9543","0.0013","90","","14863.4","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C79 H111 Ga2 N6 O P2 -","- C79 H111 Ga2 N6 O P2 -","- C632 H888 Ga16 N48 O8 P16 -","8","1","","Sharma, Mahendra K.; Wölper, Christoph; Siera, Hannah; Haberhauer, Gebhard; Schulz, Stephan","Synthesis and reactivity of a six-membered heterocyclic 1,3-diphosphaallene.","Chemical science","2025","16","3","1189","1196","10.1039/d4sc06371f","","","1.54178","CuKα","","0.0352","0.0351","","","0.0894","0.0895","","","","","","1.109","","","","has coordinates","298162","2025-03-04","19:32:06",""
"1573372","9.4004","0.0005","10.111","0.0007","13.6049","0.0009","97.488","0.002","104.094","0.002","95.42","0.002","1232.74","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H27 N3 O2 S -","- C28 H27 N3 O2 S -","- C56 H54 N6 O4 S2 -","2","1","","Saha, Shib Nath; Ballav, Nityananda; Ghosh, Suman; Baidya, Mahiuddin","Regioselective intermolecular carboamination of allylamines <i>via</i> nucleopalladation: empowering three-component synthesis of vicinal diamines.","Chemical science","2024","16","1","386","392","10.1039/d4sc07630c","","","0.71073","MoKα","","0.0744","0.0493","","","0.1052","0.1165","","","","","","1.078","","","","has coordinates","298093","2025-03-04","18:58:26",""
"1573373","9.9446","0.0003","20.0301","0.0007","18.2275","0.0006","90","","95.7521","0.0016","90","","3612.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N3 O -","- C21 H21 N3 O -","- C168 H168 N24 O8 -","8","2","","Saha, Shib Nath; Ballav, Nityananda; Ghosh, Suman; Baidya, Mahiuddin","Regioselective intermolecular carboamination of allylamines <i>via</i> nucleopalladation: empowering three-component synthesis of vicinal diamines.","Chemical science","2024","16","1","386","392","10.1039/d4sc07630c","","","0.71073","MoKα","","0.0932","0.0481","","","0.1105","0.1388","","","","","","1.003","","","","has coordinates","299904","2025-06-02","18:21:25",""
"1573374","9.1472","0.0004","9.2824","0.0004","9.3217","0.0004","97.608","0.001","94.602","0.001","101.377","0.001","764.48","0.06","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H23 B O4 -","- C15 H23 B O4 -","- C30 H46 B2 O8 -","2","1","","Vyas, Het; Gangani, Ashvin J.; Mini, Aiswarya; Pathil, Melissa; Ruth, Austin; Sharma, Abhishek","Strain-release enables access to carbonyl conjugated allylic diborons and alkenyl boronates having multiple contiguous stereocenters in a one-pot process.","Chemical science","2025","16","3","1205","1215","10.1039/d4sc06514j","","","1.54178","CuKα","","0.0704","0.0698","","","0.1839","0.1843","","","","","","1.089","","","","has coordinates","298168","2025-03-04","19:34:36",""
"1573375","17.4121","0.0008","10.4286","0.0005","13.1111","0.0006","90","","109.67","0.002","90","","2241.84","0.18","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 B N O7 -","- C22 H28 B N O7 -","- C88 H112 B4 N4 O28 -","4","1","","Vyas, Het; Gangani, Ashvin J.; Mini, Aiswarya; Pathil, Melissa; Ruth, Austin; Sharma, Abhishek","Strain-release enables access to carbonyl conjugated allylic diborons and alkenyl boronates having multiple contiguous stereocenters in a one-pot process.","Chemical science","2025","16","3","1205","1215","10.1039/d4sc06514j","","","1.54178","CuKα","","0.0364","0.0346","","","0.0897","0.0907","","","","","","1.034","","","","has coordinates","298168","2025-03-04","19:34:38",""
"1573376","10.0705","0.0007","18.6804","0.0012","5.758","0.0004","90","","90","","90","","1083.2","0.13","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H7 F6 N5 -","- C9 H7 F6 N5 -","- C36 H28 F24 N20 -","4","1","","Michelini, Lorenzo; Slaney, Tanya; Virk, Seerat; Rafic, Estefanía; Qie, L. Charlie; Corejova, Klara; Lepage, Mathieu L.; Musolino, Stefania F.; Oliver, Allen G.; Etchenique, Roberto; Hong, W. David; DiLabio, Gino A.; Wulff, Jeremy E.","A diazirine's central carbon is sp<sup>2</sup>-hybridized, facilitating conjugation to dye molecules.","Chemical science","2025","16","2","970","979","10.1039/d4sc06427e","","","1.54184","CuKα","","0.0228","0.0227","","","0.0586","0.0586","","","","","","1.082","","","","has coordinates","298118","2025-03-04","19:15:23",""
"1573396","9.9581","0.0003","9.1704","0.0003","27.6575","0.0007","90","","90","","90","","2525.68","0.13","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C112 H104 N24 O16 -","8","1","","Maessen, Stefan J. D.; Lekanne Deprez, Siebe; Vermeeren, Pascal; van den Bersselaar, Bart W. L.; Lutz, Martin; Heuts, Johan P. A.; Fonseca Guerra, Célia; Palmans, Anja R. A.","Structure-property relationships to direct the dynamic properties of acylsemicarbazide-based materials.","Polymer chemistry","2025","16","3","290","300","10.1039/d4py01296h","","","0.71073","MoKα","","0.0683","0.0453","","","0.1023","0.113","","","","","","1.062","","","","has coordinates","299154","2025-04-05","04:25:44",""
"1573397","9.7633","0.0003","27.5437","0.0007","10.4855","0.0003","90","","98.644","0.002","90","","2787.7","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N3 O3 -","- C15 H13 N3 O3 -","- C120 H104 N24 O24 -","8","2","","Maessen, Stefan J. D.; Lekanne Deprez, Siebe; Vermeeren, Pascal; van den Bersselaar, Bart W. L.; Lutz, Martin; Heuts, Johan P. A.; Fonseca Guerra, Célia; Palmans, Anja R. A.","Structure-property relationships to direct the dynamic properties of acylsemicarbazide-based materials.","Polymer chemistry","2025","16","3","290","300","10.1039/d4py01296h","","","0.71073","MoKα","","0.0503","0.0402","","","0.1033","0.1084","","","","","","1.06","","","","has coordinates","299154","2025-04-05","04:25:45",""
"1573398","10.6143","0.0004","13.2575","0.0005","19.9774","0.0007","90","","90","","90","","2811.2","0.18","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H28 N2 O6 -","- C34 H28 N2 O6 -","- C136 H112 N8 O24 -","4","0.5","","Zhou, Huan; Zhang, Yuxuan; Zheng, Zhiye; Wan, Junhua; Zhang, Hui; Lin, Kunhua; Sessler, Jonathan L.; Wang, Hongyu","Internally diketopyrrolopyrrole-bridged bis-anthracene macrocycle: a multifunctional fluorescent platform.","Chemical science","2025","16","2","910","919","10.1039/d4sc06067a","","","1.54178","CuKα","","0.0389","0.0377","","","0.1001","0.1008","","","","","","1.181","","","","has coordinates","298122","2025-03-04","19:17:00",""
"1573399","11.1096","0.0007","11.2145","0.0006","15.2337","0.0009","68.402","0.003","79.501","0.004","69.937","0.003","1654.2","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C80 H66 N16 O8 -","- C80 H66 N16 O8 -","- C80 H66 N16 O8 -","1","0.5","","Zhou, Huan; Zhang, Yuxuan; Zheng, Zhiye; Wan, Junhua; Zhang, Hui; Lin, Kunhua; Sessler, Jonathan L.; Wang, Hongyu","Internally diketopyrrolopyrrole-bridged bis-anthracene macrocycle: a multifunctional fluorescent platform.","Chemical science","2025","16","2","910","919","10.1039/d4sc06067a","","","1.54178","CuKα","","0.0757","0.065","","","0.1861","0.1961","","","","","","1.058","","","","has coordinates","298122","2025-03-04","19:17:01",""
"1573400","14.3247","0.0002","17.1233","0.0002","23.0646","0.0002","96.822","0.001","98.846","0.001","108.196","0.001","5226.07","0.11","100.01","0.15","100.01","0.15","","","","","","","","5","P -1","-P 1","2","","AOF-PyridineLinker","","- C100 H92 Cl3 N16 O18 -","- C100 H93 Cl3 N16 O18 -","- C200 H186 Cl6 N32 O36 -","2","1","","Wang, Shuhe; Sigl, Johannes; Allmendinger, Lars; Maurizot, Victor; Huc, Ivan","Design of an abiotic unimolecular three-helix bundle.","Chemical science","2025","16","3","1136","1146","10.1039/d4sc07336c","","x-ray","1.54184","CuKα","","0.0854","0.0761","","","0.2384","0.2489","","","","","","1.052","","","","has coordinates,has disorder","298167","2025-03-04","19:34:21",""
"1573401","13.1606","0.0001","17.3713","0.0002","24.34","0.0002","95.661","0.001","93.989","0.001","105.354","0.001","5313.14","0.09","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","AOF-isoQuinolineLinker","","- C104.52 H93.44 Cl2 N19 O17.94 -","- C104.576 H93.568 Cl2 N19 O17.952 -","- C209.152 H187.136 Cl4 N38 O35.904 -","2","1","","Wang, Shuhe; Sigl, Johannes; Allmendinger, Lars; Maurizot, Victor; Huc, Ivan","Design of an abiotic unimolecular three-helix bundle.","Chemical science","2025","16","3","1136","1146","10.1039/d4sc07336c","","x-ray","1.54184","CuKα","","0.0864","0.0806","","","0.2309","0.2368","","","","","","1.053","","","","has coordinates,has disorder","298167","2025-03-04","19:34:21",""
"1573402","6.4767","0.0001","15.7755","0.0003","7.425","0.0002","90","","100.19","0.002","90","","746.67","0.03","300.2","0.1","300.2","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H16 F N O2 -","- C17 H16 F N O2 -","- C34 H32 F2 N2 O4 -","2","1","","Tian, Kui; Jin, Zhuan; Liu, Xin-Lian; He, Ling; Liu, Hong-Fu; Yu, Pin-Ke; Chang, Xin; Dong, Xiu-Qin; Wang, Chun-Jiang","Stereodivergent assembly of δ-valerolactones with an azaarene-containing quaternary stereocenter enabled by Cu/Ru relay catalysis.","Chemical science","2025","16","3","1233","1240","10.1039/d4sc05852f","","x-ray","1.54184","CuKα","","0.035","0.0336","","","0.093","0.0945","","","","","","1.068","","","","has coordinates","298157","2025-03-04","19:29:53",""
"1573403","7.8385","0.0006","5.253","0.0004","16.8163","0.0013","90","","103.167","0.002","90","","674.22","0.09","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H19 N3 -","- C16 H19 N3 -","- C32 H38 N6 -","2","1","","Pilopp, Yannic; Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Villinger, Alexander; Schulz, Axel","Designing a visible light-mediated double photoswitch: a combination of biradical and azobenzene structural motifs that can be switched independently.","Chemical science","2025","16","2","876","888","10.1039/d4sc07247b","","","0.71073","MoKα","","0.0867","0.0504","","","0.1069","0.1231","","","","","","1.048","","","","has coordinates","298127","2025-03-04","19:18:54",""
"1573404","10.8196","0.0011","21.236","0.002","24.229","0.003","90","","102.703","0.003","90","","5430.7","1","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C65 H67 N5 P2 -","- C65 H67 N5 P2 -","- C260 H268 N20 P8 -","4","1","","Pilopp, Yannic; Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Villinger, Alexander; Schulz, Axel","Designing a visible light-mediated double photoswitch: a combination of biradical and azobenzene structural motifs that can be switched independently.","Chemical science","2025","16","2","876","888","10.1039/d4sc07247b","","","0.71073","MoKα","","0.0802","0.0523","","","0.1244","0.1427","","","","","","1.034","","","","has coordinates","298127","2025-03-04","19:18:54",""
"1573405","7.2792","0.0008","9.3758","0.001","20.838","0.002","90","","99.559","0.002","90","","1402.4","0.3","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N3 -","- C17 H17 N3 -","- C68 H68 N12 -","4","1","","Pilopp, Yannic; Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Villinger, Alexander; Schulz, Axel","Designing a visible light-mediated double photoswitch: a combination of biradical and azobenzene structural motifs that can be switched independently.","Chemical science","2025","16","2","876","888","10.1039/d4sc07247b","","","0.71073","MoKα","","0.0655","0.0474","","","0.1228","0.1374","","","","","","1.053","","","","has coordinates","298127","2025-03-04","19:18:54",""
"1573406","10.8647","0.0007","21.2993","0.0015","24.1947","0.0018","90","","102.911","0.002","90","","5457.4","0.7","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H66 F N5 P2 -","- C65 H66 F N5 P2 -","- C260 H264 F4 N20 P8 -","4","1","","Pilopp, Yannic; Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Villinger, Alexander; Schulz, Axel","Designing a visible light-mediated double photoswitch: a combination of biradical and azobenzene structural motifs that can be switched independently.","Chemical science","2025","16","2","876","888","10.1039/d4sc07247b","","","0.71073","MoKα","","0.1331","0.0852","","","0.1848","0.1943","","","","","","1.08","","","","has coordinates","298127","2025-03-04","19:18:55",""
"1573407","4.6237","0.0006","9.0404","0.0011","35.034","0.005","90","","90","","90","","1464.4","0.3","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N3 O -","- C17 H19 N3 O -","- C68 H76 N12 O4 -","4","1","","Pilopp, Yannic; Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Villinger, Alexander; Schulz, Axel","Designing a visible light-mediated double photoswitch: a combination of biradical and azobenzene structural motifs that can be switched independently.","Chemical science","2025","16","2","876","888","10.1039/d4sc07247b","","","0.71073","MoKα","","0.0558","0.0439","","","0.107","0.1135","","","","","","1.052","","","","has coordinates","298127","2025-03-04","19:18:55",""
"1573408","18.06498","0.0001","19.02813","0.00013","39.8336","0.0002","90","","94.9425","0.0005","90","","13641.6","0.14","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Y(Cp*)(FPh)6][{Al[OC(CF3)3]3}2(F)]","","- C206 H123 Al8 F233 O24 Y2 -","- C206 H123 Al8 F233 O24 Y2 -","- C412 H246 Al16 F466 O48 Y4 -","2","0.5","","Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P.","A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet.","Chemical science","2025","16","2","610","620","10.1039/d4sc06661h","","x-ray","1.54184","CuKα","","0.1243","0.1186","","","0.3773","0.3889","","","","","","1.919","","","","has coordinates,has disorder","298126","2025-03-04","19:18:29",""
"1573409","15.6166","0.0003","16.3417","0.0005","21.7358","0.0005","90.725","0.002","110.278","0.002","117.066","0.003","4536","0.3","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","[Dy(Cp*)(BH4)2]","","- C74 H154 B12 Dy6 -","- C74 H154 B12 Dy6 -","- C148 H308 B24 Dy12 -","2","1","","Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P.","A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet.","Chemical science","2025","16","2","610","620","10.1039/d4sc06661h","","x-ray","1.54184","CuKα","","0.066","0.0532","","","0.1447","0.1525","","","","","","1.026","","","","has coordinates,has disorder","298126","2025-03-04","19:18:30",""
"1573410","21.7517","0.0007","20.9203","0.0007","18.7796","0.0005","90","","93.564","0.003","90","","8529.2","0.5","103","5","103","5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Dy{OC(CF3)3}2(FPh)5][{Al[OC(CF3)3]3}2(F)]","","- C62 H25 Al2 Dy F78 O8 -","- C62 H25 Al2 Dy F78 O8 -","- C248 H100 Al8 Dy4 F312 O32 -","4","1","","Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P.","A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet.","Chemical science","2025","16","2","610","620","10.1039/d4sc06661h","","x-ray","1.54184","CuKα","","0.1512","0.0807","","","0.2111","0.2544","","","","","","1.01","","","","has coordinates,has disorder","298126","2025-03-04","19:18:30",""
"1573411","8.3735","0.0003","20.8167","0.0005","8.5037","0.0003","90","","117.93","0.005","90","","1309.61","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[Dy(Cp*)(BH4)2]","","- C10 H23 B2 Dy -","- C10 H23 B2 Dy -","- C40 H92 B8 Dy4 -","4","1","","Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P.","A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet.","Chemical science","2025","16","2","610","620","10.1039/d4sc06661h","","x-ray","1.54184","CuKα","","0.0518","0.0485","","","0.1319","0.1347","","","","","","1.065","","","","has coordinates","298126","2025-03-04","19:18:30",""
"1573412","16.9654","0.0002","21.7125","0.0002","14.5559","0.0001","90","","90.735","0.001","90","","5361.39","0.09","99.97","0.12","99.97","0.12","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[Y(Cp*)(BH4)2]","","- C40 H92 B8 Y4 -","- C40 H92 B8 Y4 -","- C160 H368 B32 Y16 -","4","1","","Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P.","A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet.","Chemical science","2025","16","2","610","620","10.1039/d4sc06661h","","x-ray","1.54184","CuKα","","0.0475","0.0332","","","0.0852","0.0913","","","","","","1.041","","","","has coordinates","298126","2025-03-04","19:18:30",""
"1573413","16.6426","0.0005","16.7663","0.0004","18.4889","0.0003","105.461","0.002","104.692","0.002","113.53","0.003","4163.3","0.3","100","0.3","100","0.3","","","","","","","","7","P -1","-P 1","2","","[Y(Cp''')(Cp*)(FPh)2][{Al[OC(CF3)3]3}2(F)]","","- C60 H54 Al2 F57 O6 Si3 Y -","- C60 H54 Al2 F57 O6 Si3 Y -","- C120 H108 Al4 F114 O12 Si6 Y2 -","2","1","","Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P.","A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet.","Chemical science","2025","16","2","610","620","10.1039/d4sc06661h","","x-ray","1.54184","CuKα","","0.1057","0.0906","","","0.2566","0.2741","","","","","","1.062","","","","has coordinates,has disorder","298126","2025-03-04","19:18:30",""
"1573414","18.2139","0.0003","19.314","0.0004","40.1803","0.0006","90","","94.849","0.001","90","","14084.2","0.4","99.9","0.2","99.9","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Dy(Cp*)(FPh)6][{Al[OC(CF3)3]3}2(F)]","","- C206 H123 Al8 Dy2 F233 O24 -","- C206 H123 Al8 Dy2 F233 O24 -","- C412 H246 Al16 Dy4 F466 O48 -","2","0.5","","Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P.","A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet.","Chemical science","2025","16","2","610","620","10.1039/d4sc06661h","","x-ray","1.54184","CuKα","","0.1074","0.091","","","0.258","0.2804","","","","","","1.113","","","","has coordinates,has disorder","298126","2025-03-04","19:18:30",""
"1573415","8.6484","0.0007","14.2399","0.0012","13.3208","0.0015","90","","97.498","0.001","90","","1626.5","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 N4 O4 W -","- C14 H16 N4 O4 W -","- C56 H64 N16 O16 W4 -","4","0.5","","Jankins, Tanner C.; Rubel, Camille Z.; Ho, Hang Chi; Martin-Montero, Raul; Engle, Keary M.","Tungsten-catalyzed stereodivergent isomerization of terminal olefins.","Chemical science","2025","16","5","2307","2315","10.1039/d4sc07093c","","x-ray","0.71073","MoKα","","0.0187","0.0183","","","0.045","0.0452","","","","","","1.068","","","","has coordinates","298170","2025-03-04","19:35:12",""
"1573416","8.9455","0.0007","10.6935","0.0007","12.0535","0.0008","66.56","0.002","71.07","0.002","71.049","0.002","974.88","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H46 N2 O12 W2 -","- C38 H46 N2 O12 W2 -","- C38 H46 N2 O12 W2 -","1","0.5","","Jankins, Tanner C.; Rubel, Camille Z.; Ho, Hang Chi; Martin-Montero, Raul; Engle, Keary M.","Tungsten-catalyzed stereodivergent isomerization of terminal olefins.","Chemical science","2025","16","5","2307","2315","10.1039/d4sc07093c","","x-ray","0.71073","MoKα","K-L~3~","0.0545","0.0419","","","0.0921","0.0962","","","","","","1.028","","","","has coordinates,has disorder","298170","2025-03-04","19:35:13",""
"1573430","12.0996","0.0005","10.9016","0.0005","29.2496","0.0012","90","","96.378","0.004","90","","3834.3","0.3","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C51 H43 N3 -","- C51 H43 N3 -","- C204 H172 N12 -","4","1","","Liu, Le; Song, Shuangji; Lee, Jiyeon; Rao, Yutao; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Oh, Juwon; Kim, Jiwon; Osuka, Atsuhiro; Song, Jianxin","Sub-<i>m</i>-benziporphyrin: a subcarbaporphyrinoid and its B<sup>III</sup> complex with an unprecedented planar tridentate 14π-aromatic network.","Chemical science","2025","16","3","1155","1160","10.1039/d4sc07199a","","x-ray","1.54184","CuKα","","0.0889","0.0575","","","0.1249","0.1414","","","","","","1.047","","","","has coordinates","298158","2025-03-04","19:30:12",""
"1573431","13.211","0.002","20.856","0.002","15.732","0.003","90","","114.86","0.02","90","","3933","1.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H39 B N2 O2 -","- C49 H39 B N2 O2 -","- C196 H156 B4 N8 O8 -","4","1","","Liu, Le; Song, Shuangji; Lee, Jiyeon; Rao, Yutao; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Oh, Juwon; Kim, Jiwon; Osuka, Atsuhiro; Song, Jianxin","Sub-<i>m</i>-benziporphyrin: a subcarbaporphyrinoid and its B<sup>III</sup> complex with an unprecedented planar tridentate 14π-aromatic network.","Chemical science","2025","16","3","1155","1160","10.1039/d4sc07199a","","x-ray","1.54184","CuKα","","0.1272","0.0543","","","0.1082","0.1332","","","","","","0.778","","","","has coordinates","298158","2025-03-04","19:30:13",""
"1573432","12.2357","0.0004","13.4613","0.0005","14.9649","0.0005","78.284","0.003","77.397","0.003","76.902","0.003","2312.08","0.14","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C55 H43 B N2 -","- C55 H43 B N2 -","- C110 H86 B2 N4 -","2","1","","Liu, Le; Song, Shuangji; Lee, Jiyeon; Rao, Yutao; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Oh, Juwon; Kim, Jiwon; Osuka, Atsuhiro; Song, Jianxin","Sub-<i>m</i>-benziporphyrin: a subcarbaporphyrinoid and its B<sup>III</sup> complex with an unprecedented planar tridentate 14π-aromatic network.","Chemical science","2025","16","3","1155","1160","10.1039/d4sc07199a","","x-ray","1.54184","CuKα","","0.046","0.0406","","","0.0999","0.1039","","","","","","1.036","","","","has coordinates","298158","2025-03-04","19:30:13",""
"1573433","14.4553","0.0006","15.13","0.0006","21.027","0.0007","92.22","0.003","94.235","0.003","98.658","0.004","4528.2","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C50 H41 B N2 O2 -","- C50 H41 B N2 O2 -","- C200 H164 B4 N8 O8 -","4","2","","Liu, Le; Song, Shuangji; Lee, Jiyeon; Rao, Yutao; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Oh, Juwon; Kim, Jiwon; Osuka, Atsuhiro; Song, Jianxin","Sub-<i>m</i>-benziporphyrin: a subcarbaporphyrinoid and its B<sup>III</sup> complex with an unprecedented planar tridentate 14π-aromatic network.","Chemical science","2025","16","3","1155","1160","10.1039/d4sc07199a","","x-ray","1.54184","CuKα","","0.0881","0.0622","","","0.1525","0.1684","","","","","","1.029","","","","has coordinates","298158","2025-03-04","19:30:13",""
"1573434","11.919","0.0012","12.5825","0.0011","14.8081","0.0016","104.186","0.008","110.328","0.009","96.071","0.008","1974","0.4","99.98","0.1","99.98","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C49 H39 B N2 O -","- C49 H39 B N2 O -","- C98 H78 B2 N4 O2 -","2","1","","Liu, Le; Song, Shuangji; Lee, Jiyeon; Rao, Yutao; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Oh, Juwon; Kim, Jiwon; Osuka, Atsuhiro; Song, Jianxin","Sub-<i>m</i>-benziporphyrin: a subcarbaporphyrinoid and its B<sup>III</sup> complex with an unprecedented planar tridentate 14π-aromatic network.","Chemical science","2025","16","3","1155","1160","10.1039/d4sc07199a","","x-ray","1.54184","CuKα","","0.1507","0.0818","","","0.1879","0.2274","","","","","","1.027","","","","has coordinates","298158","2025-03-04","19:30:13",""
"1573435","11.6677","0.0012","12.7694","0.0011","14.5328","0.0008","103.399","0.007","109.908","0.008","94.935","0.007","1948","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C49 H39 B N2 -","- C49 H39 B N2 -","- C98 H78 B2 N4 -","2","1","","Liu, Le; Song, Shuangji; Lee, Jiyeon; Rao, Yutao; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Oh, Juwon; Kim, Jiwon; Osuka, Atsuhiro; Song, Jianxin","Sub-<i>m</i>-benziporphyrin: a subcarbaporphyrinoid and its B<sup>III</sup> complex with an unprecedented planar tridentate 14π-aromatic network.","Chemical science","2025","16","3","1155","1160","10.1039/d4sc07199a","","x-ray","1.54184","CuKα","","0.1166","0.0815","","","0.216","0.2447","","","","","","1.047","","","","has coordinates,has disorder","298158","2025-03-04","19:30:13",""
"1573437","23.4316","0.0003","20.2535","0.0003","24.6419","0.0003","90","","104.086","0.001","90","","11342.7","0.3","157","10","157","10","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C126 H170 Mo12 N26 O74 -","- C126 H170 Mo12 N26 O74 -","- C252 H340 Mo24 N52 O148 -","2","0.5","","Yadav, Ankit K.; Gładysiak, Andrzej; Wolpert, Emma H.; Ganose, Alex M.; Samel-Garloff, Bronson; Koley, Dipankar; Jelfs, Kim E.; Stylianou, Kyriakos C.","Solvatomorphic diversity dictates the stability and solubility of metal-organic polyhedra.","Chemical science","2025","16","6","2589","2599","10.1039/d4sc05037a","","x-ray","1.54184","CuKα","","0.0978","0.0865","","","0.2315","0.2405","","","","","","0.89","","","","has coordinates","298128","2025-03-04","19:19:49",""
"1573438","20.6212","0.0003","20.6212","0.0003","15.9529","0.0003","90","","90","","120","","5874.87","0.16","149.98","0.1","149.98","0.1","","","","","","","","5","P 6/m","-P 6","175","","","","- C108 H108 Mo12 N18 O72 -","- C108 H114 Mo12 N18 O72 -","- C108 H114 Mo12 N18 O72 -","1","0.0833333","","Yadav, Ankit K.; Gładysiak, Andrzej; Wolpert, Emma H.; Ganose, Alex M.; Samel-Garloff, Bronson; Koley, Dipankar; Jelfs, Kim E.; Stylianou, Kyriakos C.","Solvatomorphic diversity dictates the stability and solubility of metal-organic polyhedra.","Chemical science","2025","16","6","2589","2599","10.1039/d4sc05037a","","x-ray","1.54184","CuKα","","0.1377","0.134","","","0.3398","0.3421","","","","","","1.069","","","","has coordinates,has disorder","298128","2025-03-04","19:19:51",""
"1573439","18.9295","0.0007","20.8274","0.0003","31.777","0.0008","84.01","0.002","86.075","0.003","80.923","0.002","12286.5","0.6","151","1","151","1","","","","","","","","5","P -1","-P 1","2","","","","- C120 H132 Mo12 N18 O72 -","- C120 H132 Mo12 N18 O72 -","- C240 H264 Mo24 N36 O144 -","2","1","","Yadav, Ankit K.; Gładysiak, Andrzej; Wolpert, Emma H.; Ganose, Alex M.; Samel-Garloff, Bronson; Koley, Dipankar; Jelfs, Kim E.; Stylianou, Kyriakos C.","Solvatomorphic diversity dictates the stability and solubility of metal-organic polyhedra.","Chemical science","2025","16","6","2589","2599","10.1039/d4sc05037a","","x-ray","1.54184","CuKα","","0.2006","0.1516","","","0.3612","0.4018","","","","","","1.023","","","","has coordinates","298128","2025-03-04","19:20:19",""
"1573440","23.4926","0.0003","21.0361","0.0002","24.7119","0.0003","90","","103.643","0.001","90","","11867.9","0.2","156","9","156","9","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C144 H204 Mo12 N24 O72 -","- C144 H204 Mo12 N24 O72 -","- C288 H408 Mo24 N48 O144 -","2","0.5","","Yadav, Ankit K.; Gładysiak, Andrzej; Wolpert, Emma H.; Ganose, Alex M.; Samel-Garloff, Bronson; Koley, Dipankar; Jelfs, Kim E.; Stylianou, Kyriakos C.","Solvatomorphic diversity dictates the stability and solubility of metal-organic polyhedra.","Chemical science","2025","16","6","2589","2599","10.1039/d4sc05037a","","x-ray","1.54184","CuKα","","0.0834","0.0686","","","0.1625","0.1739","","","","","","1.045","","","","has coordinates","298128","2025-03-04","19:20:19",""
"1573441","37.4589","0.0018","29.3487","0.0009","20.1896","0.0006","90","","90","","90","","22195.8","1.4","150.5","0.9","150.5","0.9","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C112 H122 Mo12 N20 O72 -","- C112 H120 Mo12 N20 O72 -","- C448 H480 Mo48 N80 O288 -","4","0.25","","Yadav, Ankit K.; Gładysiak, Andrzej; Wolpert, Emma H.; Ganose, Alex M.; Samel-Garloff, Bronson; Koley, Dipankar; Jelfs, Kim E.; Stylianou, Kyriakos C.","Solvatomorphic diversity dictates the stability and solubility of metal-organic polyhedra.","Chemical science","2025","16","6","2589","2599","10.1039/d4sc05037a","","x-ray","1.54184","CuKα","","0.104","0.0809","","","0.2115","0.2293","","","","","","0.944","","","","has coordinates,has disorder","298128","2025-03-04","19:20:19",""
"1573442","8.0413","0.0005","14.3206","0.0008","21.6156","0.0008","78.691","0.004","88.151","0.004","87.222","0.005","2437.3","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","2,5-bis(4-(2,1,3-benzoxadiazolyl))-1,4-bis(4-dodecylphenyl)-1,4-dihydropyrrolo[3,2-b]pyrrole","","- C54.83 H67.65 Cl1.65 N6 O2 -","- C54.824 H67.648 Cl1.648 N6 O2 -","- C109.648 H135.296 Cl3.296 N12 O4 -","2","1","","Szymański, Bartosz; Sahoo, Smruti Ranjan; Vakuliuk, Olena; Valiev, Rashid; Ramazanov, Ruslan; Łaski, Piotr; Jarzembska, Katarzyna N.; Kamiński, Radosław; Teimouri, Mohammad B.; Baryshnikov, Glib; Gryko, Daniel T.","Shedding new light on quadrupolar 1,4-dihydropyrrolo[3,2-<i>b</i>]pyrroles: impact of electron-deficient scaffolds over emission.","Chemical science","2025","16","5","2170","2179","10.1039/d4sc07275h","","x-ray","1.54184","CuKα","","0.0999","0.0732","","","0.1985","0.226","","","","","","1.049","","","","has coordinates,has disorder","298109","2025-03-04","19:08:59",""
"1573443","6.81179","0.00012","8.26449","0.00016","20.8251","0.0004","92.8453","0.0016","96.3218","0.0015","95.0155","0.0015","1158.7","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H66 N6 S2 -","- C54 H66 N6 S2 -","- C54 H66 N6 S2 -","1","0.5","","Szymański, Bartosz; Sahoo, Smruti Ranjan; Vakuliuk, Olena; Valiev, Rashid; Ramazanov, Ruslan; Łaski, Piotr; Jarzembska, Katarzyna N.; Kamiński, Radosław; Teimouri, Mohammad B.; Baryshnikov, Glib; Gryko, Daniel T.","Shedding new light on quadrupolar 1,4-dihydropyrrolo[3,2-<i>b</i>]pyrroles: impact of electron-deficient scaffolds over emission.","Chemical science","2025","16","5","2170","2179","10.1039/d4sc07275h","","","1.54184","CuKα","","0.0386","0.0345","","","0.0966","0.1064","","","","","","1.115","","","","has coordinates","298109","2025-03-04","19:09:00",""
"1573444","47.3727","0.0018","10.9462","0.0005","9.5717","0.0004","90","","90.519","0.004","90","","4963.2","0.4","120","","120.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H64 N8 O6 -","- C54 H64 N8 O6 -","- C216 H256 N32 O24 -","4","0.5","","Szymański, Bartosz; Sahoo, Smruti Ranjan; Vakuliuk, Olena; Valiev, Rashid; Ramazanov, Ruslan; Łaski, Piotr; Jarzembska, Katarzyna N.; Kamiński, Radosław; Teimouri, Mohammad B.; Baryshnikov, Glib; Gryko, Daniel T.","Shedding new light on quadrupolar 1,4-dihydropyrrolo[3,2-<i>b</i>]pyrroles: impact of electron-deficient scaffolds over emission.","Chemical science","2025","16","5","2170","2179","10.1039/d4sc07275h","","","1.54184","CuKα","","0.1034","0.0561","","","0.134","0.1579","","","","","","1.037","","","","has coordinates","298109","2025-03-04","19:09:00",""
"1573445","6.73075","0.00018","13.0685","0.0004","14.6429","0.0004","90","","91.099","0.003","90","","1287.76","0.06","100","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 N6 S2 -","- C32 H22 N6 S2 -","- C64 H44 N12 S4 -","2","0.5","","Szymański, Bartosz; Sahoo, Smruti Ranjan; Vakuliuk, Olena; Valiev, Rashid; Ramazanov, Ruslan; Łaski, Piotr; Jarzembska, Katarzyna N.; Kamiński, Radosław; Teimouri, Mohammad B.; Baryshnikov, Glib; Gryko, Daniel T.","Shedding new light on quadrupolar 1,4-dihydropyrrolo[3,2-<i>b</i>]pyrroles: impact of electron-deficient scaffolds over emission.","Chemical science","2025","16","5","2170","2179","10.1039/d4sc07275h","","","1.54184","CuKα","","0.0552","0.0472","","","0.1272","0.1329","","","","","","1.126","","","","has coordinates","298109","2025-03-04","19:09:00",""
"1573446","23.4345","0.0004","7.9786","0.0002","13.6019","0.0002","90","","105.599","0.002","90","","2449.54","0.09","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 N6 O2 -","- C32 H22 N6 O2 -","- C128 H88 N24 O8 -","4","0.5","","Szymański, Bartosz; Sahoo, Smruti Ranjan; Vakuliuk, Olena; Valiev, Rashid; Ramazanov, Ruslan; Łaski, Piotr; Jarzembska, Katarzyna N.; Kamiński, Radosław; Teimouri, Mohammad B.; Baryshnikov, Glib; Gryko, Daniel T.","Shedding new light on quadrupolar 1,4-dihydropyrrolo[3,2-<i>b</i>]pyrroles: impact of electron-deficient scaffolds over emission.","Chemical science","2025","16","5","2170","2179","10.1039/d4sc07275h","","x-ray","1.54184","CuKα","","0.0392","0.0358","","","0.0948","0.0969","","","","","","1.05","","","","has coordinates","298109","2025-03-04","19:09:00",""
"1573447","26.3539","0.0014","5.7949","0.0002","16.2792","0.0011","90","","106.857","0.007","90","","2379.3","0.2","100","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H66 N6 S2 -","- C54 H66 N6 S2 -","- C108 H132 N12 S4 -","2","0.5","","Szymański, Bartosz; Sahoo, Smruti Ranjan; Vakuliuk, Olena; Valiev, Rashid; Ramazanov, Ruslan; Łaski, Piotr; Jarzembska, Katarzyna N.; Kamiński, Radosław; Teimouri, Mohammad B.; Baryshnikov, Glib; Gryko, Daniel T.","Shedding new light on quadrupolar 1,4-dihydropyrrolo[3,2-<i>b</i>]pyrroles: impact of electron-deficient scaffolds over emission.","Chemical science","2025","16","5","2170","2179","10.1039/d4sc07275h","","","1.54184","CuKα","","0.097","0.0634","","","0.1691","0.1972","","","","","","1.067","","","","has coordinates","298109","2025-03-04","19:09:00",""
"1573448","12.653","0.0002","17.7756","0.0003","18.8818","0.0004","90","","102.848","0.002","90","","4140.47","0.13","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H50 N6 O4 -","- C46 H50 N6 O4 -","- C184 H200 N24 O16 -","4","1","","Szymański, Bartosz; Sahoo, Smruti Ranjan; Vakuliuk, Olena; Valiev, Rashid; Ramazanov, Ruslan; Łaski, Piotr; Jarzembska, Katarzyna N.; Kamiński, Radosław; Teimouri, Mohammad B.; Baryshnikov, Glib; Gryko, Daniel T.","Shedding new light on quadrupolar 1,4-dihydropyrrolo[3,2-<i>b</i>]pyrroles: impact of electron-deficient scaffolds over emission.","Chemical science","2025","16","5","2170","2179","10.1039/d4sc07275h","","","1.54184","CuKα","","0.0846","0.0548","","","0.1347","0.1591","","","","","","1.022","","","","has coordinates,has disorder","298109","2025-03-04","19:09:00",""
"1573449","15.31573","0.00019","15.31573","0.00019","56.9773","0.0007","90","","90","","120","","11574.7","0.2","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C60 H59 N24 O29.5 Zn9 -","- C60 H48 N24 O24 Zn9 -","- C360 H288 N144 O144 Zn54 -","6","0.166667","","Tao, Ye; Dong, Qiubing; Wan, Jingmeng; Huang, Fu-Ping; Duan, Jingui; Zeng, Ming-Hua","Evolution from [Zn<sub>9</sub>] to a record-high [Zn<sub>54</sub>] subblock and engineering a hierarchical supramolecular framework for enhanced iodine uptake.","Chemical science","2025","16","4","1730","1736","10.1039/d4sc04474f","","x-ray","0.71073","MoKα","","0.042","0.0355","","","0.0976","0.103","","","","","","1.036","","","","has coordinates","298116","2025-03-04","19:14:24",""
"1573450","58.9792","0.0003","58.9792","0.0003","58.9792","0.0003","90","","90","","90","","205162","1.8","100","0.1","100","0.1","","","","","","","","6","F d -3 :2","-F 2uv 2vw 3","203","","","","- C348 H288 I56.6 N156 O118.8 Zn54 -","- C348 H288 I9.5984 N156 O118.8 Zn54 -","- C2784 H2304 I76.7872 N1248 O950.4 Zn432 -","8","0.0833333","","Tao, Ye; Dong, Qiubing; Wan, Jingmeng; Huang, Fu-Ping; Duan, Jingui; Zeng, Ming-Hua","Evolution from [Zn<sub>9</sub>] to a record-high [Zn<sub>54</sub>] subblock and engineering a hierarchical supramolecular framework for enhanced iodine uptake.","Chemical science","2025","16","4","1730","1736","10.1039/d4sc04474f","","x-ray","1.54184","CuKα","","0.0865","0.0672","","","0.2132","0.2336","","","","","","1.001","","","","has coordinates,has disorder","298116","2025-03-04","19:14:24",""
"1573451","58.3017","0.0002","58.3017","0.0002","58.3017","0.0002","90","","90","","90","","198173","1.2","100","0.1","100","0.1","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","","","","- C523.2 H705.2 N195.61 O170 Zn54 -","- C385.2 H367.2 N165.6 O108 Zn54 -","- C3081.6 H2937.6 N1324.8 O864 Zn432 -","8","0.0833333","","Tao, Ye; Dong, Qiubing; Wan, Jingmeng; Huang, Fu-Ping; Duan, Jingui; Zeng, Ming-Hua","Evolution from [Zn<sub>9</sub>] to a record-high [Zn<sub>54</sub>] subblock and engineering a hierarchical supramolecular framework for enhanced iodine uptake.","Chemical science","2025","16","4","1730","1736","10.1039/d4sc04474f","","x-ray","1.54184","CuKα","","0.0434","0.039","","","0.1259","0.1288","","","","","","1.012","","","","has coordinates,has disorder","298116","2025-03-04","19:14:24",""
"1573455","13.8725","0.0009","29.1188","0.0018","9.362","0.0006","90","","127.298","0.002","90","","3008.4","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H22 Br2 F2 N4 O2 -","- C34 H22 Br2 F2 N4 O2 -","- C136 H88 Br8 F8 N16 O8 -","4","0.5","","Qi, Liang-Wen; Twumasi, Emmanuella Bema; Li, Xiao-Wei; Li, Rui; Lu, Yixin","Reductive coupling of azonaphthalenes for the synthesis of BINAMs <i>via</i> a diboron-enabled [5,5]-sigmatropic rearrangement.","Chemical science","2025","16","3","1441","1446","10.1039/d4sc06273f","","","0.71073","MoKα","","0.0313","0.0266","","","0.064","0.0665","","","","","","1.034","","","","has coordinates,has disorder","298160","2025-03-04","19:30:44",""
"1573456","20.812","0.007","7.486","0.003","13.413","0.004","90","","105.313","0.007","90","","2015.5","1.2","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 N O S -","- C28 H19 N O S -","- C112 H76 N4 O4 S4 -","4","1","","Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit","Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells.","Chemical science","2025","16","2","709","720","10.1039/d4sc07817a","","","0.71073","MoKα","","0.1384","0.0915","","","0.2075","0.2539","","","","","","1.024","","","","has coordinates","298121","2025-03-04","19:16:46",""
"1573457","23.545","0.002","7.4959","0.0007","24.005","0.002","90","","117.294","0.004","90","","3765","0.6","140","2","140","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 N O S -","- C25 N O S -","- C200 N8 O8 S8 -","8","2","","Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit","Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells.","Chemical science","2025","16","2","709","720","10.1039/d4sc07817a","","","0.71073","MoKα","","0.1572","0.0912","","","0.2367","0.2903","","","","","","1.039","","","","has coordinates","299904","2025-06-02","18:21:25",""
"1573458","11.7018","0.0007","13.6726","0.0008","21.985","0.0014","90","","91.133","0.003","90","","3516.8","0.4","139","2","139","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 N O S -","- C24 H17 N O S -","- C192 H136 N8 O8 S8 -","8","2","","Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit","Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells.","Chemical science","2025","16","2","709","720","10.1039/d4sc07817a","","","0.71073","MoKα","","0.0656","0.0458","","","0.1164","0.131","","","","","","1.032","","","","has coordinates","299904","2025-06-02","18:21:25",""
"1573459","8.381","0.002","20.496","0.007","11.336","0.004","90","","105.075","0.007","90","","1880.3","1","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 N O S -","- C25 H19 N O S -","- C100 H76 N4 O4 S4 -","4","1","","Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit","Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells.","Chemical science","2025","16","2","709","720","10.1039/d4sc07817a","","","0.71073","MoKα","","0.0447","0.0397","","","0.0973","0.1008","","","","","","1.043","","","","has coordinates","298121","2025-03-04","19:16:46",""
"1573460","32.1279","0.0014","32.1279","0.0014","9.3505","0.0005","90","","90","","120","","8358.5","0.7","140","2","140","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H19 N O S -","- C24 H19 N O S -","- C432 H342 N18 O18 S18 -","18","1","","Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit","Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells.","Chemical science","2025","16","2","709","720","10.1039/d4sc07817a","","","1.54178","CuKα","","0.0895","0.0713","","","0.2071","0.2249","","","","","","1.146","","","","has coordinates","298121","2025-03-04","19:16:46",""
"1573461","5.9514","0.0019","16.6","0.005","22.163","0.007","90","","90.368","0.014","90","","2189.5","1.2","120","2","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H21 N O S -","- C30 H21 N O S -","- C120 H84 N4 O4 S4 -","4","2","","Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit","Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells.","Chemical science","2025","16","2","709","720","10.1039/d4sc07817a","","","0.71073","MoKα","","0.235","0.1177","","","0.2794","0.3453","","","","","","1.024","","","","has coordinates","299904","2025-06-02","18:21:25",""
"1573462","12.2581","0.0006","25.0852","0.0011","12.7705","0.0006","90","","95.524","0.002","90","","3908.7","0.3","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 N O S -","- C26 H19 N O S -","- C208 H152 N8 O8 S8 -","8","2","","Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit","Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells.","Chemical science","2025","16","2","709","720","10.1039/d4sc07817a","","","0.71073","MoKα","","0.0447","0.0389","","","0.1032","0.1088","","","","","","1.022","","","","has coordinates","299904","2025-06-02","18:21:25",""
"1573463","7.3105","0.0008","9.5818","0.001","26.479","0.003","90","","90","","90","","1854.8","0.4","140","2","140","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 N O2 S -","- C24 H17 N O2 S -","- C96 H68 N4 O8 S4 -","4","1","","Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit","Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells.","Chemical science","2025","16","2","709","720","10.1039/d4sc07817a","","","0.71073","MoKα","","0.1755","0.0689","","","0.1323","0.1729","","","","","","0.9935","","","","has coordinates","298121","2025-03-04","19:16:46",""
"1573464","7.2891","0.0001","9.7884","0.0002","15.6447","0.0003","88.064","0.001","84.589","0.001","80.174","0.001","1094.77","0.03","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 F O6 -","- C26 H25 F O6 -","- C52 H50 F2 O12 -","2","1","","Zhang, Kuan; Gao, Zhengyang; Xia, Yan; Li, Pengfei; Gao, Pin; Duan, Xin-Hua; Guo, Li-Na","Synthesis of fluorine-containing bicyclo[4.1.1]octenes <i>via</i> photocatalyzed defluorinative (4 + 3) annulation of bicyclo[1.1.0]butanes with <i>gem</i>-difluoroalkenes.","Chemical science","2025","16","3","1411","1416","10.1039/d4sc07243j","","","1.54184","CuKα","","0.0491","0.0474","","","0.1264","0.1282","","","","","","1.03","","","","has coordinates","298165","2025-03-04","19:33:24",""
"1573465","11.4103","0.0002","16.6264","0.0003","9.2337","0.0001","90","","90","","90","","1751.75","0.05","301","","301","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H19 F O2 -","- C22 H19 F O2 -","- C88 H76 F4 O8 -","4","1","","Zhang, Kuan; Gao, Zhengyang; Xia, Yan; Li, Pengfei; Gao, Pin; Duan, Xin-Hua; Guo, Li-Na","Synthesis of fluorine-containing bicyclo[4.1.1]octenes <i>via</i> photocatalyzed defluorinative (4 + 3) annulation of bicyclo[1.1.0]butanes with <i>gem</i>-difluoroalkenes.","Chemical science","2025","16","3","1411","1416","10.1039/d4sc07243j","","","1.54178","CuKα","","0.0376","0.0355","","","0.0949","0.0972","","","","","","1.027","","","","has coordinates","298165","2025-03-04","19:33:34",""
"1573466","9.5134","0.0015","9.874","0.0015","24.656","0.004","90","","90","","90","","2316.1","0.6","140","2","140","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 F3 Fe N O2 S -","- C27 H22 F3 Fe N O2 S -","- C108 H88 F12 Fe4 N4 O8 S4 -","4","1","","Parganiha, Devendra; Thorat, Raviraj Ananda; Dhumale, Ashwini Dilip; Upadhyay, Yagya Dutt; Jha, Raushan Kumar; Raju, Saravanan; Kumar, Sangit","Substrate NOBINAc ligand affinity for Pd<sup>II</sup>-catalyzed enantioselective C-H activation over reactive β-C-H bonds in ferrocenyl amines.","Chemical science","2025","16","2","700","708","10.1039/d4sc06867j","","","1.54178","CuKα","","0.1008","0.094","","","0.2625","0.268","","","","","","1.115","","","","has coordinates,has disorder","298117","2025-03-04","19:15:05",""
"1573467","9.65","0.0006","10.5668","0.0006","11.6109","0.0008","89.893","0.002","69.144","0.002","67.203","0.002","1007.15","0.11","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H20 F3 Fe N O2 S -","- C22 H20 F3 Fe N O2 S -","- C44 H40 F6 Fe2 N2 O4 S2 -","2","1","","Parganiha, Devendra; Thorat, Raviraj Ananda; Dhumale, Ashwini Dilip; Upadhyay, Yagya Dutt; Jha, Raushan Kumar; Raju, Saravanan; Kumar, Sangit","Substrate NOBINAc ligand affinity for Pd<sup>II</sup>-catalyzed enantioselective C-H activation over reactive β-C-H bonds in ferrocenyl amines.","Chemical science","2025","16","2","700","708","10.1039/d4sc06867j","","","0.71073","MoKα","","0.0346","0.0296","","","0.0749","0.0788","","","","","","1.028","","","","has coordinates","301209","2025-07-10","11:18:53",""
"1573468","9.5665","0.0014","9.829","0.0017","25.415","0.004","90","","90","","90","","2389.8","0.7","303","","303","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 F3 Fe N O2 S -","- C27 H22 F3 Fe N O2 S -","- C108 H88 F12 Fe4 N4 O8 S4 -","4","1","","Parganiha, Devendra; Thorat, Raviraj Ananda; Dhumale, Ashwini Dilip; Upadhyay, Yagya Dutt; Jha, Raushan Kumar; Raju, Saravanan; Kumar, Sangit","Substrate NOBINAc ligand affinity for Pd<sup>II</sup>-catalyzed enantioselective C-H activation over reactive β-C-H bonds in ferrocenyl amines.","Chemical science","2025","16","2","700","708","10.1039/d4sc06867j","","","0.71073","MoKα","","0.0507","0.0388","","","0.0892","0.0959","","","","","","1.049","","","","has coordinates","298117","2025-03-04","19:15:07",""
"1573541","12.6672","0.0014","6.1624","0.0006","18.016","0.002","90","","106.967","0.012","90","","1345.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Na4 O10 P2 -","- C22 H28 Na4 O10 P2 -","- C44 H56 Na8 O20 P4 -","2","0.5","","Zhang, Yan; Apostol, Petru; Rambabu, Darsi; Guo, Xiaolong; Liu, Xuelian; Lin, Xiaodong; Xie, Haijiao; Chen, Xiaohua; Robeyns, Koen; Wang, Jiande; Wang, Junzhong; Vlad, Alexandru","Ionically conducting Li- and Na-phosphonates as organic electrode materials for rechargeable batteries.","Chemical science","2025","16","4","1819","1825","10.1039/d4sc07732f","","","0.71073","MoKα","","0.1318","0.0878","","","0.1694","0.1881","","","","","","1.116","","","","has coordinates","298115","2025-03-04","19:13:04",""
"1573542","15.8224","0.0005","21.9763","0.0006","28.7119","0.0012","90","","93.501","0.003","90","","9965","0.6","100","2","100","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C86 H44 N2 -","- C86 H44 N2 -","- C688 H352 N16 -","8","1","","Nakamura, Tomoya; Nagai, Takabumi; Miyake, Yuki; Yamada, Takumi; Miura, Makoto; Yoshida, Hiroyuki; Kanemitsu, Yoshihiko; Truong, Minh Anh; Murdey, Richard; Wakamiya, Atsushi","Single-isomer bis(pyrrolidino)fullerenes as electron-transporting materials for tin halide perovskite solar cells.","Chemical science","2025","16","5","2265","2272","10.1039/d4sc07031c","","","0.71073","MoKα","","0.1709","0.1094","","","0.2079","0.2343","","","","","","1.134","","","","has coordinates,has disorder","298090","2025-03-04","18:57:31",""
"1573543","9.86943","0.00017","17.5275","0.0003","26.1199","0.0005","95.7908","0.0014","99.8803","0.0015","106.339","0.0016","4218.1","0.14","131","19","131","19","","","","","","","","4","P -1","-P 1","2","","","","- C27 H20 F2 O3 -","- C27 H20 F2 O3 -","- C216 H160 F16 O24 -","8","4","","Li, Na; Li, Chenghui; Zhou, Qianying; Zhang, Xin; Deng, Zhouming; Jiang, Zhong-Xing; Yang, Zhigang","General access to furan-substituted <i>gem</i>-difluoroalkenes enabled by PFTB-promoted cross-coupling of ene-yne-ketones and difluorocarbene.","Chemical science","2025","16","3","1455","1464","10.1039/d4sc08247h","","x-ray","1.54184","CuKα","","0.0927","0.0645","","","0.2025","0.2588","","","","","","1.128","","","","has coordinates,has disorder","298161","2025-03-04","19:30:53",""
"1573545","9.804","0.005","16.35","0.011","13.564","0.007","90","","108.989","0.015","90","","2056","2","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 B N4 O -","- C26 H21 B N4 O -","- C104 H84 B4 N16 O4 -","4","1","","Watson, Alexander E. R.; Boyle, Paul D.; Ragogna, Paul J.; Gilroy, Joe B.","Ligand protonation leads to highly fluorescent boronium cations.","Chemical science","2025","16","5","2258","2264","10.1039/d4sc06392a","","","0.71073","MoKα","","0.076","0.0489","","","0.1202","0.1367","","","","","","1.021","","","","has coordinates","298169","2025-03-04","19:34:55",""
"1573546","9.673","0.004","16.008","0.008","20.119","0.009","90","","90","","90","","3115","2","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H32 B Cl3 N4 O -","- C34 H32 B Cl3 N4 O -","- C136 H128 B4 Cl12 N16 O4 -","4","1","","Watson, Alexander E. R.; Boyle, Paul D.; Ragogna, Paul J.; Gilroy, Joe B.","Ligand protonation leads to highly fluorescent boronium cations.","Chemical science","2025","16","5","2258","2264","10.1039/d4sc06392a","","","0.71073","MoKα","","0.0407","0.0331","","","0.0819","0.0862","","","","","","1.024","","","","has coordinates","298169","2025-03-04","19:34:56",""
"1573547","8.8668","0.0004","8.8668","0.0004","8.7669","0.0004","90","","90","","90","","689.25","0.05","293","2","293","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- B2 Ba Ca Cs F O5 -","- B2 Ba Ca Cs F O5 -","- B8 Ba4 Ca4 Cs4 F4 O20 -","4","0.5","","Chen, Fuqiang; Wu, Hongping; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Yu, Hongwei","Rational design of a series of non-centrosymmetric antiperovskite and double antiperovskite borate fluorides.","Chemical science","2025","16","4","2015","2023","10.1039/d4sc05747c","","","0.71073","MoKα","","0.0504","0.0455","","","0.1382","0.1491","","","","","","1.085","","","","has coordinates","298112","2025-03-04","19:09:56",""
"1573548","8.7713","0.0003","8.7713","0.0003","4.3173","0.0003","90","","90","","90","","332.15","0.03","304","2","304","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- B2 Ba Ca F O5 Rb -","- B2 Ba Ca F O5 Rb -","- B4 Ba2 Ca2 F2 O10 Rb2 -","2","0.25","","Chen, Fuqiang; Wu, Hongping; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Yu, Hongwei","Rational design of a series of non-centrosymmetric antiperovskite and double antiperovskite borate fluorides.","Chemical science","2025","16","4","2015","2023","10.1039/d4sc05747c","","","0.71073","MoKα","","0.0434","0.0375","","","0.1016","0.1082","","","","","","1.088","","","","has coordinates","298112","2025-03-04","19:09:57",""
"1573549","8.7276","0.0011","8.7276","0.0011","4.284","0.001","90","","90","","90","","326.32","0.1","304","2","304","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- B2 Ba Ca F K O5 -","- B2 Ba Ca F K O5 -","- B4 Ba2 Ca2 F2 K2 O10 -","2","0.25","","Chen, Fuqiang; Wu, Hongping; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Yu, Hongwei","Rational design of a series of non-centrosymmetric antiperovskite and double antiperovskite borate fluorides.","Chemical science","2025","16","4","2015","2023","10.1039/d4sc05747c","","","0.71073","MoKα","","0.0924","0.0661","","","0.1723","0.1952","","","","","","1.144","","","","has coordinates","298112","2025-03-04","19:09:57",""
"1573550","7.2089","0.0007","9.3281","0.0009","11.0857","0.0013","97.148","0.009","92.22","0.009","96.254","0.008","734.23","0.13","150","","150.15","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H32 N4 O2 -","- C38 H32 N4 O2 -","- C38 H32 N4 O2 -","1","0.5","","Mandal, Debasish; Sarkar, Abani; Behera, Kanhu Charan; Ravikanth, Mangalampalli","pH-responsive supramolecular switch of a rationally designed dipyrroethene-based chromophore.","Chemical science","2025","16","4","1772","1782","10.1039/d4sc07016j","","","0.71073","MoKα","","0.1033","0.0874","","","0.2197","0.2307","","","","","","1.071","","","","has coordinates","298110","2025-03-04","19:09:27",""
"1573551","13.3398","0.0008","12.3038","0.0007","25.4069","0.0013","90","","97.608","0.005","90","","4133.3","0.4","150","0.1","150.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H34 F6 N4 O6 -","- C42 H34 F6 N4 O6 -","- C168 H136 F24 N16 O24 -","4","0.5","","Mandal, Debasish; Sarkar, Abani; Behera, Kanhu Charan; Ravikanth, Mangalampalli","pH-responsive supramolecular switch of a rationally designed dipyrroethene-based chromophore.","Chemical science","2025","16","4","1772","1782","10.1039/d4sc07016j","","","0.71073","MoKα","","0.1174","0.074","","","0.1819","0.2075","","","","","","1.059","","","","has coordinates","298110","2025-03-04","19:09:27",""
"1573552","9.295","0.002","9.499","0.002","10.348","0.002","79.673","0.01","65.183","0.008","63.713","0.009","743.5","0.3","105","","105","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H17 N3 -","- C19 H17 N3 -","- C38 H34 N6 -","2","1","","Mandal, Debasish; Sarkar, Abani; Behera, Kanhu Charan; Ravikanth, Mangalampalli","pH-responsive supramolecular switch of a rationally designed dipyrroethene-based chromophore.","Chemical science","2025","16","4","1772","1782","10.1039/d4sc07016j","","","0.71073","MoKα","","0.1127","0.0586","","","0.1376","0.1736","","","","","","1.0988","","","","has coordinates","298110","2025-03-04","19:09:27",""
"1573553","30.8903","0.00015","10.27991","0.00006","18.11204","0.00009","90","","90","","90","","5751.47","0.05","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C64 H92 N4 Tb2 -","- C64 H92 N4 Tb2 -","- C256 H368 N16 Tb8 -","4","1","","Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen","Rare earth benzene tetraanion-bridged amidinate complexes.","Chemical science","2025","16","4","1907","1924","10.1039/d4sc05982d","","","1.54184","CuKα","","0.0346","0.0328","","","0.0893","0.0901","","","","","","1.055","","","","has coordinates","298113","2025-03-04","19:10:33",""
"1573554","23.9612","0.0013","10.5893","0.0004","22.5423","0.0013","90","","112.235","0.006","90","","5294.4","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10.09 H14.96 Cl0.17 Dy0.17 N0.7 -","- C10.087 H14.9565 Cl0.173913 Dy0.173913 N0.695652 -","- C232 H344 Cl4 Dy4 N16 -","23","2.875","","Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen","Rare earth benzene tetraanion-bridged amidinate complexes.","Chemical science","2025","16","4","1907","1924","10.1039/d4sc05982d","","x-ray","0.71073","MoKα","","0.0604","0.0498","","","0.1084","0.1165","","","","","","1.015","","","","has coordinates","298113","2025-03-04","19:10:34",""
"1573555","25.2282","0.0011","10.9625","0.0003","23.8393","0.0009","90","","116.041","0.005","90","","5923.8","0.5","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C65 H94 I N4 Y -","- C65 H94 I N4 Y -","- C260 H376 I4 N16 Y4 -","4","0.5","","Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen","Rare earth benzene tetraanion-bridged amidinate complexes.","Chemical science","2025","16","4","1907","1924","10.1039/d4sc05982d","","x-ray","0.71073","MoKα","","0.0477","0.0343","","","0.0772","0.0852","","","","","","0.923","","","","has coordinates,has disorder","298113","2025-03-04","19:10:34",""
"1573556","23.9599","0.0008","10.5837","0.0002","22.4979","0.0008","90","","112.183","0.004","90","","5282.8","0.3","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H86 Cl N4 Tb -","- C58 H86 Cl N4 Tb -","- C232 H344 Cl4 N16 Tb4 -","4","0.5","","Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen","Rare earth benzene tetraanion-bridged amidinate complexes.","Chemical science","2025","16","4","1907","1924","10.1039/d4sc05982d","","","0.71073","MoKα","","0.048","0.04","","","0.0735","0.0788","","","","","","1.045","","","","has coordinates","298113","2025-03-04","19:10:34",""
"1573557","10.8382","0.0001","38.9439","0.0005","15.0078","0.0003","90","","105.063","0.002","90","","6116.87","0.17","100","0.7","100","0.7","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C67 H99 Dy2 N4 -","- C67 H99 Dy2 N4 -","- C268 H396 Dy8 N16 -","4","1","","Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen","Rare earth benzene tetraanion-bridged amidinate complexes.","Chemical science","2025","16","4","1907","1924","10.1039/d4sc05982d","","x-ray","1.54184","CuKα","","0.0855","0.0822","","","0.2224","0.2241","","","","","","1.134","","","","has coordinates","298113","2025-03-04","19:10:34",""
"1573558","10.8398","0.0001","38.9679","0.0002","15.0051","0.0001","90","","105.029","0.001","90","","6121.42","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C67 H99 N4 Y2 -","- C67 H99 N4 Y2 -","- C268 H396 N16 Y8 -","4","1","","Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen","Rare earth benzene tetraanion-bridged amidinate complexes.","Chemical science","2025","16","4","1907","1924","10.1039/d4sc05982d","","","1.54184","CuKα","","0.0417","0.0392","","","0.1019","0.1052","","","","","","1.05","","","","has coordinates","298113","2025-03-04","19:10:34",""
"1573559","14.4004","0.0003","15.4059","0.0003","18.05","0.0004","97.598","0.002","103.094","0.002","112.008","0.002","3510.01","0.15","104","6","104","6","","","","","","","","4","P -1","-P 1","2","","","","- C75 H120 N4 Tb2 -","- C75 H120 N4 Tb2 -","- C150 H240 N8 Tb4 -","2","1","","Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen","Rare earth benzene tetraanion-bridged amidinate complexes.","Chemical science","2025","16","4","1907","1924","10.1039/d4sc05982d","","x-ray","1.54184","CuKα","","0.0436","0.0408","","","0.1051","0.107","","","","","","1.033","","","","has coordinates,has disorder","298113","2025-03-04","19:10:34",""
"1573560","26.171","0.002","11.0443","0.001","23.94","0.003","90","","119.762","0.003","90","","6006.9","1.1","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65 H94 Gd I N4 -","- C65 H94 Gd I N4 -","- C260 H376 Gd4 I4 N16 -","4","0.5","","Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen","Rare earth benzene tetraanion-bridged amidinate complexes.","Chemical science","2025","16","4","1907","1924","10.1039/d4sc05982d","","","0.71073","MoKα","","0.0288","0.0254","","","0.0584","0.0607","","","","","","1.038","","","","has coordinates,has disorder","298113","2025-03-04","19:10:34",""
"1573561","18.1193","0.0011","35.666","0.002","36.498","0.003","90","","90","","90","","23587","3","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C64 H92 Gd2 N4 -","- C64 H92 Gd2 N4 -","- C1024 H1472 Gd32 N64 -","16","2","","Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen","Rare earth benzene tetraanion-bridged amidinate complexes.","Chemical science","2025","16","4","1907","1924","10.1039/d4sc05982d","","","0.71073","MoKα","","0.0361","0.0261","","","0.0554","0.0604","","","","","","1.039","","","","has coordinates","298113","2025-03-04","19:10:34",""
"1573562","12.67284","0.00007","9.17962","0.00005","22.43254","0.00013","90","","96.7556","0.0005","90","","2591.5","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 B N3 O -","- C27 H36 B N3 O -","- C108 H144 B4 N12 O4 -","4","1","","Tang, Jianqin; Hu, Chenyang; Crumpton, Agamemnon E.; Griffin, Liam P.; Goicoechea, Jose M.; Aldridge, Simon","Metathesis chemistry of inorganic cumulenes driven by B-O bond formation.","Chemical science","2025","16","5","2231","2237","10.1039/d4sc07487d","","x-ray","1.54184","CuKα","","0.0417","0.0399","","","0.1008","0.1021","","","","","","1.026","","","","has coordinates","298171","2025-03-04","19:37:35",""
"1573563","12.8968","0.0001","19.8442","0.0002","40.8371","0.0005","90","","96.999","0.001","90","","10373.4","0.18","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H74 B N5 P2 -","- C53 H74 B N5 P2 -","- C424 H592 B8 N40 P16 -","8","2","","Tang, Jianqin; Hu, Chenyang; Crumpton, Agamemnon E.; Griffin, Liam P.; Goicoechea, Jose M.; Aldridge, Simon","Metathesis chemistry of inorganic cumulenes driven by B-O bond formation.","Chemical science","2025","16","5","2231","2237","10.1039/d4sc07487d","","x-ray","1.54184","CuKα","","0.0767","0.0581","","","0.1446","0.1516","","","","","","1.084","","","","has coordinates,has disorder","298171","2025-03-04","19:37:36",""
"1573564","22.7178","0.0007","22.7178","0.0007","15.9414","0.0008","90","","90","","90","","8227.3","0.5","100","0.1","100","0.1","","","","","","","","6","I -4","I -4","82","","","","- C45 H52.4 B2 K N3 O2 -","- C33 H40.4 B2 K N3 O2 -","- C264 H323.2 B16 K8 N24 O16 -","8","1","","Tang, Jianqin; Hu, Chenyang; Crumpton, Agamemnon E.; Griffin, Liam P.; Goicoechea, Jose M.; Aldridge, Simon","Metathesis chemistry of inorganic cumulenes driven by B-O bond formation.","Chemical science","2025","16","5","2231","2237","10.1039/d4sc07487d","","x-ray","1.54184","CuKα","","0.0595","0.0551","","","0.1556","0.16","","","","","","1.016","","","","has coordinates,has disorder","298171","2025-03-04","19:37:36",""
"1573565","9.7098","0.0001","16.9985","0.0002","17.7195","0.0002","90","","93.843","0.001","90","","2918.06","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H42 B N3 -","- C33 H42 B N3 -","- C132 H168 B4 N12 -","4","1","","Tang, Jianqin; Hu, Chenyang; Crumpton, Agamemnon E.; Griffin, Liam P.; Goicoechea, Jose M.; Aldridge, Simon","Metathesis chemistry of inorganic cumulenes driven by B-O bond formation.","Chemical science","2025","16","5","2231","2237","10.1039/d4sc07487d","","x-ray","1.54184","CuKα","","0.0541","0.0501","","","0.1745","0.1774","","","","","","1.055","","","","has coordinates","298171","2025-03-04","19:37:36",""
"1573566","22.2498","0.0001","13.5031","0.0001","37.4373","0.0002","90","","99.081","0.001","90","","11106.7","0.12","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H81 B3 N6 O -","- C60 H81 B3 N6 O -","- C480 H648 B24 N48 O8 -","8","1","","Tang, Jianqin; Hu, Chenyang; Crumpton, Agamemnon E.; Griffin, Liam P.; Goicoechea, Jose M.; Aldridge, Simon","Metathesis chemistry of inorganic cumulenes driven by B-O bond formation.","Chemical science","2025","16","5","2231","2237","10.1039/d4sc07487d","","x-ray","1.54184","CuKα","","0.046","0.0406","","","0.1037","0.1074","","","","","","1.029","","","","has coordinates,has disorder","298171","2025-03-04","19:37:36",""
"1573567","16.90996","0.00006","9.55705","0.00003","33.35081","0.0001","90","","94.9584","0.0003","90","","5369.63","0.03","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C27 H36 B N3 S -","- C27 H36 B N3 S -","- C216 H288 B8 N24 S8 -","8","1","","Tang, Jianqin; Hu, Chenyang; Crumpton, Agamemnon E.; Griffin, Liam P.; Goicoechea, Jose M.; Aldridge, Simon","Metathesis chemistry of inorganic cumulenes driven by B-O bond formation.","Chemical science","2025","16","5","2231","2237","10.1039/d4sc07487d","","x-ray","1.54184","CuKα","","0.0359","0.0353","","","0.0895","0.09","","","","","","1.027","","","","has coordinates,has disorder","298171","2025-03-04","19:37:36",""
"1573570","9.6234","0.0001","10.4927","0.0001","14.0802","0.0002","99.31","0.001","98.054","0.001","100.619","0.001","1357.67","0.03","293","2","293","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H29 F2 O4 P -","- C31 H29 F2 O4 P -","- C62 H58 F4 O8 P2 -","2","1","","Huang, Mao-Gui; Fu, Yue-Liu-Ting; Li, Jia-Wei; Liu, Yue-Jin","Ruthenium-catalyzed three-component tandem remote C-H functionalization of naphthalenes: modular and concise synthesis of multifunctional naphthalenes.","Chemical science","2025","16","4","1957","1965","10.1039/d4sc06846g","","x-ray","1.54184","CuKα","","0.0413","0.0366","","","0.0989","0.105","","","","","","1.117","","","","has coordinates","298111","2025-03-04","19:09:43",""
"1573571","14.4927","0.0008","9.522","0.0002","24.7089","0.0014","90","","137.895","0.011","90","","2286.3","0.5","123.01","0.1","123.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H40 Br4 N12 Ni2 O6 -","- C42 H40 Br4 N12 Ni2 O6 -","- C84 H80 Br8 N24 Ni4 O12 -","2","0.5","","Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert","Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes.","Chemical science","2025","16","6","2751","2762","10.1039/d4sc04257c","","","1.54184","CuKα","","0.0383","0.0356","","","0.099","0.101","","","","","","1.048","","","","has coordinates","298132","2025-03-04","19:22:20",""
"1573572","13.4368","0.0003","9.1144","0.0002","20.483","0.0004","90","","108.664","0.002","90","","2376.6","0.09","123","0.1","123.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Br4 Cl4 N12 Ni2 O4 -","- C40 H38 Br4 Cl4 N10 Ni2 O6 -","- C80 H76 Br8 Cl8 N20 Ni4 O12 -","2","0.5","","Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert","Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes.","Chemical science","2025","16","6","2751","2762","10.1039/d4sc04257c","","","1.54184","CuKα","","0.0378","0.0331","","","0.0922","0.0948","","","","","","0.999","","","","has coordinates","298132","2025-03-04","19:22:21",""
"1573573","13.0278","0.0002","14.7154","0.0002","34.4476","0.0005","90","","99.152","0.001","90","","6519.86","0.16","123","0.1","123","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C20.57 H18.49 N6.86 O2.39 -","- C20.5714 H18.4949 N6.85714 O2.39029 -","- C288 H258.928 N96 O33.464 -","14","1.75","","Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert","Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes.","Chemical science","2025","16","6","2751","2762","10.1039/d4sc04257c","","x-ray","1.54184","CuKα","","0.038","0.0361","","","0.0901","0.0913","","","","","","1.081","","","","has coordinates,has disorder","298132","2025-03-04","19:22:21",""
"1573574","17.1742","0.0001","13.6415","0.0001","17.8507","0.0001","90","","103.715","0.001","90","","4062.85","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13.82 H12.36 Br0.73 N5.09 Ni0.36 O1.45 -","- C13.8182 H12.3636 Br0.727273 N5.09091 Ni0.363636 O1.45455 -","- C152 H136 Br8 N56 Ni4 O16 -","11","2.75","","Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert","Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes.","Chemical science","2025","16","6","2751","2762","10.1039/d4sc04257c","","x-ray","1.54184","CuKα","","0.0426","0.039","","","0.1112","0.1133","","","","","","1.104","","","","has coordinates","298132","2025-03-04","19:22:21",""
"1573575","6.6161","0.0004","11.0537","0.0006","11.1219","0.0006","84.188","0.004","74.575","0.005","88.159","0.004","780.03","0.08","123.01","0.1","123.15","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H14 N6 O2 -","- C17 H14 N6 O2 -","- C34 H28 N12 O4 -","2","1","","Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert","Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes.","Chemical science","2025","16","6","2751","2762","10.1039/d4sc04257c","","","1.54184","CuKα","","0.0776","0.0704","","","0.1998","0.2104","","","","","","1.08","","","","has coordinates","298132","2025-03-04","19:22:21",""
"1573576","9.8012","0.0002","8.1826","0.0002","27.1202","0.0006","90","","94.448","0.002","90","","2168.47","0.08","123.01","0.1","123.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11.5 H12.5 N2.5 O2 -","- C11.5 H12.5 N2.5 O2 -","- C92 H100 N20 O16 -","8","2","","Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert","Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes.","Chemical science","2025","16","6","2751","2762","10.1039/d4sc04257c","","","1.54184","CuKα","","0.0584","0.054","","","0.1476","0.1545","","","","","","1.032","","","","has coordinates","298132","2025-03-04","19:22:21",""
"1573577","33.3183","0.0003","9.9346","0.0001","21.7721","0.0002","90","","91.007","0.001","90","","7205.54","0.12","100","0.1","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H52 N5 Ni O4.5 -","- C39 H52 N5 Ni O4.5 -","- C312 H416 N40 Ni8 O36 -","8","1","","Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert","Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes.","Chemical science","2025","16","6","2751","2762","10.1039/d4sc04257c","","","1.54184","CuKα","","0.069","0.0652","","","0.1635","0.1653","","","","","","1.262","","","","has coordinates,has disorder","298132","2025-03-04","19:22:21",""
"1573578","19.3695","0.0002","17.6564","0.0002","19.5992","0.0003","90","","93.297","0.001","90","","6691.75","0.15","123.01","0.1","123.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H32 Br N5 Ni O3 P -","- C37 H32 Br N5 Ni O3 P -","- C296 H256 Br8 N40 Ni8 O24 P8 -","8","2","","Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert","Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes.","Chemical science","2025","16","6","2751","2762","10.1039/d4sc04257c","","","1.54184","CuKα","","0.0668","0.045","","","0.118","0.1276","","","","","","1.051","","","","has coordinates","298132","2025-03-04","19:22:21",""
"1573584","25.415","0.0009","25.415","0.0009","25.415","0.0009","90","","90","","90","","16416.1","1","100","2","100","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C24 O13 Zn4 -","- C24 O13 Zn4 -","- C192 O104 Zn32 -","8","0.0416667","","Kim, Hyunyong; Cohen, Seth M.","Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.","Chemical science","2025","16","5","2344","2350","10.1039/d4sc06666a","","","0.71073","MoKα","","0.1213","0.0913","","","0.2925","0.317","","","","","","1.142","","","","has coordinates","298089","2025-03-04","18:57:14",""
"1573585","12.8235","0.0012","12.8235","0.0012","12.8235","0.0012","90","","90","","90","","2108.7","0.3","100","2","100","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- C24 O13 Zn4 -","- C24 O13 Zn4.0008 -","- C24 O13 Zn4.0008 -","1","0.0208333","","Kim, Hyunyong; Cohen, Seth M.","Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.","Chemical science","2025","16","5","2344","2350","10.1039/d4sc06666a","","","0.71073","MoKα","","0.1106","0.0707","","","0.2126","0.2534","","","","","","1.082","","","","has coordinates","298089","2025-03-04","18:57:15",""
"1573586","25.6171","0.0009","25.6171","0.0009","25.6171","0.0009","90","","90","","90","","16810.9","1","100","2","100","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C96 O64 Zn16 -","- C96 O64 Zn16 -","- C192 O128 Zn32 -","2","0.0104167","","Kim, Hyunyong; Cohen, Seth M.","Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.","Chemical science","2025","16","5","2344","2350","10.1039/d4sc06666a","","","0.71073","MoKα","","0.0835","0.0589","","","0.1925","0.2234","","","","","","1.125","","","","has coordinates","298089","2025-03-04","18:57:15",""
"1573587","25.6455","0.0007","25.6455","0.0007","25.6455","0.0007","90","","90","","90","","16866.8","0.8","100","2","100","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C96 O64 Zn16 -","- C96 O64 Zn16 -","- C192 O128 Zn32 -","2","0.0104167","","Kim, Hyunyong; Cohen, Seth M.","Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.","Chemical science","2025","16","5","2344","2350","10.1039/d4sc06666a","","","0.71073","MoKα","","0.0735","0.0559","","","0.1774","0.2042","","","","","","1.161","","","","has coordinates","298089","2025-03-04","18:57:15",""
"1573588","25.6396","0.0007","25.6396","0.0007","25.6396","0.0007","90","","90","","90","","16855.2","0.8","100","2","100","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C96 O64 Zn16 -","- C96 O64 Zn16 -","- C192 O128 Zn32 -","2","0.0104167","","Kim, Hyunyong; Cohen, Seth M.","Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.","Chemical science","2025","16","5","2344","2350","10.1039/d4sc06666a","","","0.71073","MoKα","","0.1","0.0687","","","0.2118","0.2867","","","","","","1.237","","","","has coordinates","298089","2025-03-04","18:57:15",""
"1573589","25.6309","0.0009","25.6309","0.0009","25.6309","0.0009","90","","90","","90","","16838","1","100","2","100","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C96 O64 Zn16 -","- C96 O64 Zn16 -","- C192 O128 Zn32 -","2","0.0104167","","Kim, Hyunyong; Cohen, Seth M.","Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.","Chemical science","2025","16","5","2344","2350","10.1039/d4sc06666a","","","0.71073","MoKα","","0.0858","0.0519","","","0.1701","0.2188","","","","","","1.224","","","","has coordinates","298089","2025-03-04","18:57:15",""
"1573590","13.6279","0.0013","16.9199","0.0017","19.7799","0.0019","90","","91.635","0.003","90","","4559","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 N O5 Zn -","- C14 N O5 Zn -","- C112 N8 O40 Zn8 -","8","1","","Kim, Hyunyong; Cohen, Seth M.","Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.","Chemical science","2025","16","5","2344","2350","10.1039/d4sc06666a","","","0.71073","MoKα","","0.0838","0.068","","","0.1837","0.1907","","","","","","1.087","","","","has coordinates","298089","2025-03-04","18:57:15",""
"1573591","25.6731","0.0008","25.6731","0.0008","25.6731","0.0008","90","","90","","90","","16921.3","0.9","100","2","100","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C96 O64 Zn16 -","- C96 O64 Zn16 -","- C192 O128 Zn32 -","2","0.0104167","","Kim, Hyunyong; Cohen, Seth M.","Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.","Chemical science","2025","16","5","2344","2350","10.1039/d4sc06666a","","","0.71073","MoKα","","0.0903","0.055","","","0.1717","0.2272","","","","","","1.226","","","","has coordinates","298089","2025-03-04","18:57:15",""
"1573592","25.6846","0.0008","25.6846","0.0008","25.6846","0.0008","90","","90","","90","","16944.1","0.9","100","2","100","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C96 O64 Zn16 -","- C96 O64 Zn16 -","- C192 O128 Zn32 -","2","0.0104167","","Kim, Hyunyong; Cohen, Seth M.","Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.","Chemical science","2025","16","5","2344","2350","10.1039/d4sc06666a","","","0.71073","MoKα","","0.097","0.0663","","","0.2059","0.2786","","","","","","1.249","","","","has coordinates","298089","2025-03-04","18:57:15",""
"1573593","25.6483","0.0006","25.6483","0.0006","25.6483","0.0006","90","","90","","90","","16872.4","0.7","100","2","100","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C96 O64 Zn16 -","- C96 O64 Zn16 -","- C192 O128 Zn32 -","2","0.0104167","","Kim, Hyunyong; Cohen, Seth M.","Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.","Chemical science","2025","16","5","2344","2350","10.1039/d4sc06666a","","","0.71073","MoKα","","0.0897","0.0649","","","0.208","0.2512","","","","","","1.171","","","","has coordinates","298089","2025-03-04","18:57:15",""
"1573594","7.2038","0.0005","11.3027","0.0007","26.8583","0.0017","90","","92.223","0.002","90","","2185.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","'1-benzyl-4-phenyl-5-(phenylethynyl)-1H-isobenzofuro[4,5-d][1,2,3]triazole-6,8-dione'","","- C29 H17 N3 O3 -","- C29 H17 N3 O3 -","- C116 H68 N12 O12 -","4","1","","Sneddon, Dorian S.; Kevorkian, Paul V.; Hoye, Thomas R.","Rapid (≤25 °C) cycloisomerization of anhydride-tethered triynes to benzynes - origin of a remarkable anhydride linker-induced rate enhancement.","Chemical science","2025","16","6","2898","2906","10.1039/d4sc07232d","","","0.71073","MoKα","","0.0586","0.0397","","","0.0944","0.1032","","","","","","1.026","","","","has coordinates","298131","2025-03-04","19:21:56",""
"1573595","13.0754","0.0015","19.067","0.002","15.68","0.002","90","","104.258","0.004","90","","3788.7","0.8","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H41 N5 O5 -","- C40 H33 N5 O5 -","- C160 H132 N20 O20 -","4","1","","Bae, Sungryul; Jeong, Younjae; Lee, Dongwhan","Mutually antagonistic molecular clips: symmetry-breaking non-covalent bonds at the chiral-nonchiral interface.","Chemical science","2025","16","8","3459","3469","10.1039/d4sc07655a","","","0.71073","MoKα","","0.1369","0.0787","","","0.2005","0.2743","","","","","","1.084","","","","has coordinates","298104","2025-03-04","19:06:28",""
"1573596","8.418","0.0017","12.809","0.003","40.083","0.008","91.42","0.03","92.29","0.03","106.79","0.03","4131.5","1.7","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H42 N6 O5 -","- C56 H42 N6 O5 -","- C224 H168 N24 O20 -","4","2","","Bae, Sungryul; Jeong, Younjae; Lee, Dongwhan","Mutually antagonistic molecular clips: symmetry-breaking non-covalent bonds at the chiral-nonchiral interface.","Chemical science","2025","16","8","3459","3469","10.1039/d4sc07655a","","","0.7","synchrotron","","0.1474","0.1025","","","0.2804","0.3123","","","","","","1.046","","","","has coordinates","298104","2025-03-04","19:06:29",""
"1573597","15.283","0.003","14.723","0.003","30.471","0.006","90","","90","","90","","6856","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C44 H36 N4 O3 -","- C44 H36 N4 O3 -","- C352 H288 N32 O24 -","8","1","","Bae, Sungryul; Jeong, Younjae; Lee, Dongwhan","Mutually antagonistic molecular clips: symmetry-breaking non-covalent bonds at the chiral-nonchiral interface.","Chemical science","2025","16","8","3459","3469","10.1039/d4sc07655a","","","0.7","synchrotron","","0.0922","0.0564","","","0.1427","0.1562","","","","","","1.02","","","","has coordinates","298104","2025-03-04","19:06:29",""
"1573598","14.434","0.003","15.041","0.003","30.493","0.006","90","","90","","90","","6620","2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C84 H69 N9 O8 -","- C84 H69 N9 O8 -","- C336 H276 N36 O32 -","4","1","","Bae, Sungryul; Jeong, Younjae; Lee, Dongwhan","Mutually antagonistic molecular clips: symmetry-breaking non-covalent bonds at the chiral-nonchiral interface.","Chemical science","2025","16","8","3459","3469","10.1039/d4sc07655a","","","0.7","synchrotron","","0.104","0.0682","","","0.1569","0.1789","","","","","","1.036","","","","has coordinates,has disorder","298104","2025-03-04","19:06:29",""
"1573599","5.4287","0.0007","8.9764","0.0012","13.4695","0.0016","96.706","0.011","95.087","0.01","90.122","0.011","649.26","0.14","190","2","190","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C13 H16 I N O2 -","- C13 H16 I N O2 -","- C26 H32 I2 N2 O4 -","2","1","","Shiels, Oisin J.; Brydon, Samuel C.; Poad, Berwyck L. J.; Marshall, David L.; Houston, Sevan D.; Xing, Hui; Bernhardt, Paul V.; Savage, G. Paul; Williams, Craig M.; Harman, David G.; Kirk, Benjamin B.; da Silva, Gabriel; Blanksby, Stephen J.; Trevitt, Adam J.","Electrostatically tuning radical addition and atom abstraction reactions with distonic radical ions.","Chemical science","2025","16","6","2861","2878","10.1039/d4sc06333c","","x-ray","0.71073","MoKα","","0.0775","0.0646","","","0.1372","0.1444","","","","","","1.173","","","","has coordinates","298134","2025-03-04","19:22:40",""
"1573617","26.9512","0.001","9.4305","0.0003","17.329","0.0006","90","","111.921","0.001","90","","4086","0.2","273.15","","273.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2-(anthracen-9-yl)-9,9-dimethyl-9H-xanthene","","- C29 H22 O -","- C29 H22 O -","- C232 H176 O8 -","8","1","","Wang, Shiyin; Liu, Haichao; Zhao, Shuaiqiang; Wu, Qiaolin; Yang, Zhiqiang; Yang, Daojie; Lv, Yingbo; Su, Qing; Zhang, Shi-Tong; Yang, Bing","A comparative investigation on excimer fluorescence toward its bright future.","Chemical science","2025","16","7","3275","3284","10.1039/d4sc08001g","","","0.71073","MoKα","","0.098","0.0573","","","0.152","0.2013","","","","","","1.2878","","","","has coordinates","298136","2025-03-04","19:23:19",""
"1573618","9.1255","0.0005","17.9972","0.0011","18.3091","0.0011","90.153","0.002","90.817","0.002","94.909","0.002","2995.6","0.3","302","","302","","","","","","","","","3","P -1","-P 1","2","","4,5-di(anthracen-9-yl)-9,9-dimethyl-9H-xanthene","","- C43 H30 O -","- C43 H30 O -","- C172 H120 O4 -","4","2","","Wang, Shiyin; Liu, Haichao; Zhao, Shuaiqiang; Wu, Qiaolin; Yang, Zhiqiang; Yang, Daojie; Lv, Yingbo; Su, Qing; Zhang, Shi-Tong; Yang, Bing","A comparative investigation on excimer fluorescence toward its bright future.","Chemical science","2025","16","7","3275","3284","10.1039/d4sc08001g","","","0.71073","MoKα","","0.0709","0.0517","","","0.1282","0.152","","","","","","1.056","","","","has coordinates","299663","2025-05-14","10:18:01",""
"1573620","9.0901","0.0002","13.3962","0.0002","22.3177","0.0003","77.196","0.001","86.431","0.001","82.887","0.001","2628.01","0.08","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","CuNDPA","","- C54 H67 Cu K N6 O9 -","- C54 H67 Cu K N6 O9 -","- C108 H134 Cu2 K2 N12 O18 -","2","1","","Das, Soumadip; Roy, Aritra; Chakrabarti, Navonil; Mukhopadhyay, Narottam; Sarkar, Aniruddha; Sen Gupta, Sayam","Self-sensitized Cu(ii)-complex catalyzed solar driven CO<sub>2</sub> reduction.","Chemical science","2025","16","7","3114","3123","10.1039/d4sc06354f","","","1.54184","CuKα","","0.0409","0.0373","","","0.101","0.1038","","","","","","1.073","","","","has coordinates","298140","2025-03-04","19:24:52",""
"1573621","9.6787","0.0003","10.7885","0.0004","20.4415","0.0008","96.743","0.003","90.805","0.003","99.865","0.003","2087.09","0.13","100","0.2","100.15","","","","","","","","","6","P -1","-P 1","2","","CuNDPA-Cl_N2O2","","- C44 H48 Cl Cu N7 O3 -","- C40 H42 Cl Cu N5 O3 -","- C80 H84 Cl2 Cu2 N10 O6 -","2","1","","Das, Soumadip; Roy, Aritra; Chakrabarti, Navonil; Mukhopadhyay, Narottam; Sarkar, Aniruddha; Sen Gupta, Sayam","Self-sensitized Cu(ii)-complex catalyzed solar driven CO<sub>2</sub> reduction.","Chemical science","2025","16","7","3114","3123","10.1039/d4sc06354f","","","1.54184","CuKα","","0.1406","0.1256","","","0.3404","0.3535","","","","","","1.4","","","","has coordinates,has disorder","298140","2025-03-04","19:24:53",""
"1573622","25.2111","0.0008","22.7564","0.0008","33.5239","0.0011","90","","108.292","0.0011","90","","18261.3","1.1","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C98 H118 F6 N6 O2 S4 -","- C98 H118 F6 N6 O2 S4 -","- C784 H944 F48 N48 O16 S32 -","8","1","","Wang, Yan-Bo; Tsai, Chia-Lin; Xue, Yung-Jing; Jiang, Bing-Huang; Lu, Han-Cheng; Hong, Jun-Cheng; Huang, Yu-Chi; Huang, Kuo-Hsiu; Chien, Su-Ying; Chen, Chih-Ping; Cheng, Yen-Ju","Fluorinated and methylated <i>ortho</i>-benzodipyrrole-based acceptors suppressing charge recombination and minimizing energy loss in organic photovoltaics.","Chemical science","2025","16","7","3259","3274","10.1039/d4sc07146h","","","0.71073","MoKα","","0.3081","0.1997","","","0.4729","0.5593","","","","","","1.141","","","","has coordinates,has disorder","298141","2025-03-04","19:25:28",""
"1573623","21.223","0.0004","21.3687","0.0005","32.1128","0.0006","91.951","0.001","91.3666","0.0008","103.586","0.001","14140.1","0.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","CMB","","- C100 H124 F4 N6 O2 S4 -","- C100 H124 F4 N6 O2 S4 -","- C600 H744 F24 N36 O12 S24 -","6","3","","Wang, Yan-Bo; Tsai, Chia-Lin; Xue, Yung-Jing; Jiang, Bing-Huang; Lu, Han-Cheng; Hong, Jun-Cheng; Huang, Yu-Chi; Huang, Kuo-Hsiu; Chien, Su-Ying; Chen, Chih-Ping; Cheng, Yen-Ju","Fluorinated and methylated <i>ortho</i>-benzodipyrrole-based acceptors suppressing charge recombination and minimizing energy loss in organic photovoltaics.","Chemical science","2025","16","7","3259","3274","10.1039/d4sc07146h","","","1.54178","CuKα","","0.2203","0.1717","","","0.4293","0.4806","","","","","","1.675","","","","has coordinates","298141","2025-03-04","19:25:29",""
"1573677","51.208","0.005","7.1184","0.0007","31.56","0.004","90","","126.597","0.007","90","","9236.1","1.9","170","","170","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 B F2 I N O6 -","- C11 H15 B F2 I N O6 -","- C264 H360 B24 F48 I24 N24 O144 -","24","3","","Wu, Hengbo; Luo, Ruitong; Peng, Jingjing; Han, Zijian; Zhang, Renjie; Xu, Zhijian; Zhu, Weiliang; Liu, Hong; Li, Chunpu","B(MIDA)-directed site-selective intermolecular halofluoroalkylation of alkenes: synthesis of diversely functionalized building blocks.","Chemical science","2025","16","6","2710","2717","10.1039/d4sc07900k","","","0.71073","MoKα","","0.0662","0.0421","","","0.0845","0.0963","","","","","","1.025","","","","has coordinates","298130","2025-03-04","19:21:47",""
"1573678","10.2609","0.0001","10.2609","0.0001","10.2609","0.0001","90","","90","","90","","1080.33","0.018","293","2","293","2","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- Cu10 S13 Te4 -","- Cu10.002 S13 Te4 -","- Cu20.004 S26 Te8 -","2","0.0416667","","Zhang, Bo; Zhou, Sheng-Hua; Li, Bing-Xuan; Wu, Xin-Tao; Lin, Hua; Zhu, Qi-Long","Exploring new horizons in mid-to-far infrared nonlinear optical crystals: the significant potential of trigonal pyramidal [TeS<sub>3</sub>]<sup>2-</sup> functional units.","Chemical science","2025","16","7","3218","3227","10.1039/d4sc07322c","","x-ray","0.71073","MoKα","","0.0141","0.0141","","","0.0306","0.0306","","","","","","1.229","","","","has coordinates","298135","2025-03-04","19:22:49",""
"1573686","26.623","0.002","12.2818","0.0009","36.081","0.003","90","","90","","90","","11797.7","1.6","100","2","100","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C126 H160 K O6 -","- C114 H132 K O6 -","- C456 H528 K4 O24 -","4","0.5","","Zhu, Yikun; Borstelmann, Jan; Neiss, Christian; Wei, Zheng; Görling, Andreas; Kivala, Milan; Petrukhina, Marina A.","Stepwise reduction of an asymmetric π-expanded pyracylene towards the crystalline radical trianion.","Chemical science","2025","16","7","3211","3217","10.1039/d4sc08255a","","x-ray","0.41328","Synchrotron","","0.0732","0.0663","","","0.1843","0.1943","","","","","","1.035","","","","has coordinates,has disorder","298143","2025-03-04","19:26:20",""
"1573687","14.192","0.002","23.883","0.004","28.136","0.005","88.137","0.002","80.21","0.003","77.124","0.002","9161","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C186 H270 N6 O25.5 Rb3 -","- C156 H210 N6 O18 Rb3 -","- C312 H420 N12 O36 Rb6 -","2","1","","Zhu, Yikun; Borstelmann, Jan; Neiss, Christian; Wei, Zheng; Görling, Andreas; Kivala, Milan; Petrukhina, Marina A.","Stepwise reduction of an asymmetric π-expanded pyracylene towards the crystalline radical trianion.","Chemical science","2025","16","7","3211","3217","10.1039/d4sc08255a","","x-ray","0.41329","Synchrotron","","0.1852","0.0918","","","0.2525","0.3132","","","","","","1.004","","","","has coordinates,has disorder","298143","2025-03-04","19:26:21",""
"1573688","27.4995","0.0001","27.4995","0.0001","70.8136","0.0005","90","","90","","90","","53550.8","0.5","100","1","100","1","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C136 H170 O14.5 Rb2 -","- C126 H150 O12 Rb2 -","- C2016 H2400 O192 Rb32 -","16","1","","Zhu, Yikun; Borstelmann, Jan; Neiss, Christian; Wei, Zheng; Görling, Andreas; Kivala, Milan; Petrukhina, Marina A.","Stepwise reduction of an asymmetric π-expanded pyracylene towards the crystalline radical trianion.","Chemical science","2025","16","7","3211","3217","10.1039/d4sc08255a","","x-ray","1.54178","CuKα","","0.0623","0.0485","","","0.1325","0.1452","","","","","","1.031","","","","has coordinates,has disorder","298143","2025-03-04","19:26:21",""
"1573689","11.04999","0.00019","23.491","0.0006","22.4123","0.0004","90","","100.772","0.0017","90","","5715.2","0.2","286","3","286","3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H29 B N2 O3 -","- C30 H29 B N2 O3 -","- C240 H232 B8 N16 O24 -","8","2","","Qin, Hao-Ni; Jiang, Hao-Wen; Zhao, Yi; Qurban, Saira; Wang, Ke-Chun; Xu, Peng-Fei","Photocatalytic [3 + 2]-annulation <i>via</i> sodium tetraarylborate: a fundamental approach for synthesizing 1,4,2-diazaborole analogs.","Chemical science","2025","16","6","2837","2842","10.1039/d4sc08085h","","x-ray","1.54184","CuKα","","0.0651","0.0467","","","0.1185","0.1283","","","","","","1.032","","","","has coordinates","299904","2025-06-02","18:21:25",""
"1573690","8.9672","0.0004","14.2728","0.0006","19.4271","0.0009","90","","90","","90","","2486.42","0.19","2035","2","2035","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H34 I N O5 Si -","- C21 H34 I N O5 Si -","- C84 H136 I4 N4 O20 Si4 -","4","1","","Seo, Seung Mo; Kim, Dongwook; Kim, Taewan; Han, Sunkyu","Total synthesis of (-)-flueggenine A and (-)-15'-<i>epi</i>-flueggenine D.","Chemical science","2025","16","3","1216","1221","10.1039/d4sc07525k","","","0.71073","MoKα","","0.0333","0.0256","","","0.053","0.0569","","","","","","1.07","","","","has coordinates,has disorder","298163","2025-03-04","19:32:34",""
"1573691","11.95","0.002","6.4623","0.0013","13.674","0.002","90","","103.465","0.005","90","","1026.9","0.3","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H26 N2 O4 -","- C24 H26 N2 O4 -","- C48 H52 N4 O8 -","2","1","","Seo, Seung Mo; Kim, Dongwook; Kim, Taewan; Han, Sunkyu","Total synthesis of (-)-flueggenine A and (-)-15'-<i>epi</i>-flueggenine D.","Chemical science","2025","16","3","1216","1221","10.1039/d4sc07525k","","","0.71073","MoKα","","0.1784","0.0932","","","0.1118","0.1343","","","","","","1.13","","","","has coordinates,has disorder","298163","2025-03-04","19:32:34",""
"1573692","6.8112","0.0003","9.0531","0.0004","23.2935","0.001","90","","95.8682","0.0016","90","","1428.81","0.11","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H45 N O5 Si2 -","- C24 H45 N O5 Si2 -","- C48 H90 N2 O10 Si4 -","2","1","","Seo, Seung Mo; Kim, Dongwook; Kim, Taewan; Han, Sunkyu","Total synthesis of (-)-flueggenine A and (-)-15'-<i>epi</i>-flueggenine D.","Chemical science","2025","16","3","1216","1221","10.1039/d4sc07525k","","","0.71073","MoKα","","0.0423","0.0372","","","0.0882","0.0902","","","","","","1.051","","","","has coordinates,has disorder","298163","2025-03-04","19:32:34",""
"1573693","8.5047","0.0019","46.069","0.01","6.8117","0.0016","90","","90","","90","","2668.8","1","253","2","253","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C23 H35 I N O5 Si -","- C23 H35 I N O5 Si -","- C92 H140 I4 N4 O20 Si4 -","4","1","","Seo, Seung Mo; Kim, Dongwook; Kim, Taewan; Han, Sunkyu","Total synthesis of (-)-flueggenine A and (-)-15'-<i>epi</i>-flueggenine D.","Chemical science","2025","16","3","1216","1221","10.1039/d4sc07525k","","","0.71073","MoKα","","0.1205","0.0849","","","0.1419","0.155","","","","","","1.198","","","","has coordinates","298163","2025-03-04","19:32:34",""
"1573694","17.7153","0.0014","5.8663","0.0005","18.0482","0.0015","90","","99.613","0.002","90","","1849.3","0.3","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H50 N2 O12 -","- C36 H50 N2 O12 -","- C72 H100 N4 O24 -","2","1","","Seo, Seung Mo; Kim, Dongwook; Kim, Taewan; Han, Sunkyu","Total synthesis of (-)-flueggenine A and (-)-15'-<i>epi</i>-flueggenine D.","Chemical science","2025","16","3","1216","1221","10.1039/d4sc07525k","","","0.71073","MoKα","","0.1435","0.0736","","","0.1166","0.137","","","","","","1.094","","","","has coordinates,has disorder","298163","2025-03-04","19:32:34",""
"1573695","16.77164","0.00005","16.77164","0.00005","16.77164","0.00005","90","","90","","90","","4717.66","0.02","100","0.1","100","0.1","","","","","","","","6","I -4 3 m","I -4 2 3","217","","MAF-78","","- C7 H9 Br2 N7 O Zn -","- C7 H9 Br2 N7 O Zn -","- C84 H108 Br24 N84 O12 Zn12 -","12","0.25","","Liang, Zi-Jun; Dong, Fang-Di; Ye, Le; Zheng, Kai; Hu, Ding-Yi; Feng, Xi; Su, Wen-Yu; Wang, Zhi-Shuo; Zhou, Mu-Yang; Fang, Zi-Luo; Zhou, Dong-Dong; Zhang, Jie-Peng; Chen, Xiao-Ming","Introducing halogen-bonded gates into zeolitic frameworks for efficient benzene/cyclohexene/cyclohexane separation.","Chemical science","2025","16","7","3307","3312","10.1039/d4sc06624c","","x-ray","1.54184","CuKα","","0.0857","0.0857","","","0.2615","0.2616","","","","","","1.093","","","","has coordinates,has disorder","298145","2025-03-04","19:26:44",""
"1573696","16.7719","0.0001","16.7719","0.0001","16.7719","0.0001","90","","90","","90","","4717.88","0.05","100","0.1","100","0.1","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C10.96 H8.96 Br2 N6 Zn -","- C10 H8 Br2 N6 Zn -","- C120 H96 Br24 N72 Zn12 -","12","0.25","","Liang, Zi-Jun; Dong, Fang-Di; Ye, Le; Zheng, Kai; Hu, Ding-Yi; Feng, Xi; Su, Wen-Yu; Wang, Zhi-Shuo; Zhou, Mu-Yang; Fang, Zi-Luo; Zhou, Dong-Dong; Zhang, Jie-Peng; Chen, Xiao-Ming","Introducing halogen-bonded gates into zeolitic frameworks for efficient benzene/cyclohexene/cyclohexane separation.","Chemical science","2025","16","7","3307","3312","10.1039/d4sc06624c","","x-ray","1.54184","CuKα","","0.0468","0.0468","","","0.13","0.13","","","","","","1.102","","","","has coordinates,has disorder","298145","2025-03-04","19:26:44",""
"1573697","4.9516","0.0003","7.6029","0.0004","7.1865","0.0004","90","","105.062","0.006","90","","261.25","0.03","300","2","300","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- O7 S Te Ti -","- O7 S Te Ti -","- O14 S2 Te2 Ti2 -","2","1","","Li, Zhenhua; Liang, Zhengli; Wan, Jiahao; Liu, Lehui; Wu, Chunxiang; Wang, Ping; Jiang, Xingxing; Lin, Zheshuai; Liu, Hongming","Different p-block elements induce C<sub>3</sub>[111] octahedral distortion in titanium to generate an intense nonlinear effect.","Chemical science","2025","16","7","3329","3335","10.1039/d4sc06620k","","","0.71073","MoKα","","0.0244","0.0232","","","0.0445","0.0453","","","","","","1.07","","","","has coordinates","298139","2025-03-04","19:24:42",""
"1573703","11.823","0.0003","13.6657","0.0003","23.0648","0.0006","100.582","0.002","94.663","0.002","108.17","0.002","3442.01","0.16","200","0.1","200","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C72 H54 F3 N5 O4 S2 -","- C72 H54 F3 N5 O4 S2 -","- C144 H108 F6 N10 O8 S4 -","2","1","","Liu, Junxiang; Wang, Kangmin; Wan, Liqiu; Yang, Xianhui; Li, Bijin","Ruthenium-catalyzed C-H bond activation and annulation of phenothiazine-3-carbaldehydes: facile access to dual-emission materials.","Chemical science","2025","16","7","3107","3113","10.1039/d4sc07825j","","x-ray","1.54184","CuKα","","0.3465","0.3244","","","0.6657","0.6974","","","","","","3.328","","","","has coordinates","298137","2025-03-04","19:23:40",""
"1573704","8.1766","0.0001","15.5546","0.0002","14.6671","0.0002","90","","99.429","0.001","90","","1840.21","0.04","110","0.1","110","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 F3 N Zr -","- C21 H20 F3 N Zr -","- C84 H80 F12 N4 Zr4 -","4","1","","Bonfante, Sara; Tanner, Theo F. N.; Lorber, Christian; Lynam, Jason M.; Simonneau, Antoine; Slattery, John M.","Zirconium-mediated carbon-fluorine bond functionalisation through cyclohexyne ""umpolung"".","Chemical science","2025","16","8","3552","3559","10.1039/d4sc08522a","","x-ray","1.54184","CuKα","","0.0274","0.0247","","","0.0608","0.0621","","","","","","1.095","","","","has coordinates","298106","2025-03-04","19:07:20",""
"1573705","8.2387","0.0012","8.2964","0.0013","10.4688","0.0017","93.346","0.006","92.138","0.005","109.112","0.005","673.76","0.18","285","2","285","","","","","","","","","4","P -1","-P 1","2","","","","- C5 H8 O S2 -","- C5 H8 O S2 -","- C20 H32 O4 S8 -","4","2","","Liu, Long-Hai; Wang, Si-Qi; Fan, Hua-Zhong; Cao, Qing; Cai, Zhongzheng; Zhu, Jian-Bo","Chemically recyclable poly(thioether-thioester)s via ring-opening polymerization of seven-membered thiolactones","Polymer Chemistry","2025","16","8","972","978","10.1039/D4PY01442A","","","0.71073","MoKα","","0.0657","0.0453","","","0.111","0.12","","","","","","1.052","","","","has coordinates","299151","2025-04-05","04:24:28",""
"1573706","9.889","0.008","23.89","0.02","12.335","0.01","90","","98.52","0.02","90","","2882","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N3 O S -","- C15 H15 N3 O S -","- C120 H120 N24 O8 S8 -","8","2","","Sentürk, Bengi; Butschke, Burkhard; Eisenreich, Fabian","Thiosemicarbazones as versatile photoswitches with light-controllable supramolecular activity.","Chemical science","2025","16","7","3130","3140","10.1039/d4sc08530b","","x-ray","0.71073","MoKα","","0.0503","0.04","","","0.0919","0.0971","","","","","","1.031","","","","has coordinates","298138","2025-03-04","19:24:32",""
"1573707","5.9879","0.0013","10.235","0.003","11.312","0.003","66.744","0.009","82.452","0.008","86.562","0.013","631.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 N3 S -","- C14 H13 N3 S -","- C28 H26 N6 S2 -","2","1","","Sentürk, Bengi; Butschke, Burkhard; Eisenreich, Fabian","Thiosemicarbazones as versatile photoswitches with light-controllable supramolecular activity.","Chemical science","2025","16","7","3130","3140","10.1039/d4sc08530b","","x-ray","0.71073","MoKα","","0.0368","0.033","","","0.0837","0.0859","","","","","","1.051","","","","has coordinates","298138","2025-03-04","19:24:33",""
"1573708","7.866","0.002","8.231","0.002","11.963","0.005","92.336","0.004","96.812","0.011","111.933","0.013","710.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Cl2 N3 S -","- C14 H11 Cl2 N3 S -","- C28 H22 Cl4 N6 S2 -","2","1","","Sentürk, Bengi; Butschke, Burkhard; Eisenreich, Fabian","Thiosemicarbazones as versatile photoswitches with light-controllable supramolecular activity.","Chemical science","2025","16","7","3130","3140","10.1039/d4sc08530b","","x-ray","0.71073","MoKα","","0.0297","0.0264","","","0.0666","0.0683","","","","","","1.026","","","","has coordinates","298138","2025-03-04","19:24:33",""
"1573709","6.643","0.006","7.435","0.007","28.49","0.03","90","","90","","90","","1407","2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N4 O S -","- C14 H14 N4 O S -","- C56 H56 N16 O4 S4 -","4","1","","Sentürk, Bengi; Butschke, Burkhard; Eisenreich, Fabian","Thiosemicarbazones as versatile photoswitches with light-controllable supramolecular activity.","Chemical science","2025","16","7","3130","3140","10.1039/d4sc08530b","","x-ray","0.71073","MoKα","","0.0342","0.0324","","","0.0787","0.0797","","","","","","1.057","","","","has coordinates","298138","2025-03-04","19:24:33",""
"1573710","5.689","0.002","10.012","0.003","11.393","0.004","71.163","0.006","82.543","0.01","87.953","0.018","609","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 N3 S2 -","- C12 H11 N3 S2 -","- C24 H22 N6 S4 -","2","1","","Sentürk, Bengi; Butschke, Burkhard; Eisenreich, Fabian","Thiosemicarbazones as versatile photoswitches with light-controllable supramolecular activity.","Chemical science","2025","16","7","3130","3140","10.1039/d4sc08530b","","x-ray","0.71073","MoKα","","0.0296","0.0271","","","0.0744","0.0762","","","","","","1.042","","","","has coordinates,has disorder","298138","2025-03-04","19:24:33",""
"1573711","5.823","0.002","9.744","0.004","11.011","0.004","70.013","0.009","83.399","0.009","88.167","0.008","583.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 N3 O S -","- C12 H11 N3 O S -","- C24 H22 N6 O2 S2 -","2","1","","Sentürk, Bengi; Butschke, Burkhard; Eisenreich, Fabian","Thiosemicarbazones as versatile photoswitches with light-controllable supramolecular activity.","Chemical science","2025","16","7","3130","3140","10.1039/d4sc08530b","","x-ray","0.71073","MoKα","","0.0359","0.0319","","","0.0853","0.0874","","","","","","1.072","","","","has coordinates,has disorder","298138","2025-03-04","19:24:33",""
"1573712","28.98","0.009","6.951","0.003","14.974","0.005","90","","110.329","0.011","90","","2828.5","1.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 F5 N3 S -","- C14 H8 F5 N3 S -","- C112 H64 F40 N24 S8 -","8","1","","Sentürk, Bengi; Butschke, Burkhard; Eisenreich, Fabian","Thiosemicarbazones as versatile photoswitches with light-controllable supramolecular activity.","Chemical science","2025","16","7","3130","3140","10.1039/d4sc08530b","","x-ray","0.71073","MoKα","","0.0502","0.0386","","","0.0942","0.1","","","","","","1.053","","","","has coordinates","298138","2025-03-04","19:24:33",""
"1573713","8.589","0.003","9.902","0.004","14.679","0.006","106.882","0.005","94.204","0.003","111.756","0.003","1086.3","0.7","86","2","86","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H19 F3 O2 Si -","- C27 H19 F3 O2 Si -","- C54 H38 F6 O4 Si2 -","2","1","","Matsuo, Tomotoki; Sano, Masaki; Sumida, Yuto; Ohmiya, Hirohisa","Organic photoredox-catalyzed unimolecular PCET of benzylic alcohols.","Chemical science","2025","16","7","3150","3156","10.1039/d4sc07048h","","","0.71073","MoKα","","0.0383","0.0348","","","0.0919","0.0945","","","","","","1.036","","","","has coordinates","298144","2025-03-04","19:26:29",""
"1573725","10.4701","0.0003","8.8984","0.0002","19.622","0.0005","90","","99.531","0.003","90","","1802.89","0.08","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","benzo[c]phenanthro[9,10-a]phenanthridine","","- C29 H17 N -","- C29 H17 N -","- C116 H68 N4 -","4","1","","Maekawa, Takehisa; Itami, Kenichiro","Rapid access to functionalized nanographenes through a palladium-catalyzed multi-annulation sequence.","Chemical science","2025","16","7","3092","3098","10.1039/d4sc07995g","","","0.71073","MoKα","","0.0382","0.0321","","","0.0809","0.0843","","","","","","1.049","","","","has coordinates","298142","2025-03-04","19:25:38",""
"1573732","15.245","0.0013","17.2704","0.0013","17.6243","0.0014","92.495","0.003","102.397","0.003","112.807","0.002","4136.1","0.6","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C79 H80 B5 F24 N5 O2 Sn -","- C78 H69 B F24 N4 O2 Sn -","- C156 H138 B2 F48 N8 O4 Sn2 -","2","1","","Niu, Dechuang; Kostenko, Arseni; Kelly, John A.; Sarkar, Debotra; Xu, Huihui; Inoue, Shigeyoshi","CO<sub>2</sub> hydrosilylation catalyzed by an N-heterocyclic carbene (NHC)-stabilized stannyliumylidene.","Chemical science","2025","16","9","4014","4022","10.1039/d4sc07116f","","","0.71073","MoKα","","0.0457","0.0418","","","0.1026","0.1061","","","","","","1.067","","","","has coordinates,has disorder","298151","2025-03-04","19:27:52",""
"1573733","13.4232","0.0004","17.0569","0.0006","18.5469","0.0007","102.535","0.003","101.839","0.003","109.969","0.003","3711.1","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C70.01 H61 B F24 N4 Sn -","- C70 H61 B F24 N4 Sn -","- C140 H122 B2 F48 N8 Sn2 -","2","1","","Niu, Dechuang; Kostenko, Arseni; Kelly, John A.; Sarkar, Debotra; Xu, Huihui; Inoue, Shigeyoshi","CO<sub>2</sub> hydrosilylation catalyzed by an N-heterocyclic carbene (NHC)-stabilized stannyliumylidene.","Chemical science","2025","16","9","4014","4022","10.1039/d4sc07116f","","","1.54184","CuKα","","0.0649","0.0484","","","0.1198","0.1323","","","","","","1.032","","","","has coordinates,has disorder","298151","2025-03-04","19:27:53",""
"1573734","10.4739","0.0005","16.089","0.0008","23.3384","0.0011","109.831","0.002","92.107","0.002","102.86","0.002","3579.7","0.3","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C72 H61 B F24 N4 O4 Sn -","- C72 H61 B F24 N4 O4 Sn -","- C144 H122 B2 F48 N8 O8 Sn2 -","2","1","","Niu, Dechuang; Kostenko, Arseni; Kelly, John A.; Sarkar, Debotra; Xu, Huihui; Inoue, Shigeyoshi","CO<sub>2</sub> hydrosilylation catalyzed by an N-heterocyclic carbene (NHC)-stabilized stannyliumylidene.","Chemical science","2025","16","9","4014","4022","10.1039/d4sc07116f","","","0.71073","MoKα","","0.0325","0.0299","","","0.0702","0.0719","","","","","","1.029","","","","has coordinates,has disorder","298151","2025-03-04","19:27:53",""
"1573735","36.1356","0.0002","16.4719","0.0002","28.0985","0.0003","90","","90","","90","","16724.8","0.3","293","2","293","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C70 H86 Cl2 Cu6 F9 N7 O7 S4 -","- C60 H68 Cl2 Cu6 F6 N5 O3 S4 -","- C480 H544 Cl16 Cu48 F48 N40 O24 S32 -","8","1","","Das, Saikat; Sakai, Jin; Nakatani, Riki; Kondo, Ayumu; Tomioka, Rina; Das, Subhabrata; Takahashi, Shuntaro; Kawawaki, Tokuhisa; Biswas, Sourav; Negishi, Yuichi","Tunable structural rearrangement in Cu cluster assemblies through linker and solvent alterations.","Chemical science","2025","16","6","2600","2608","10.1039/d4sc07730j","","","1.54184","CuKα","","0.1215","0.1032","","","0.3038","0.3217","","","","","","1.055","","","","has coordinates,has disorder","298129","2025-03-04","19:21:23",""
"1573736","30.937","0.0004","30.937","0.0004","30.937","0.0004","90","","90","","90","","29609.7","0.7","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C124 H178.5 Cu6 N18.5 O10.5 S4 -","- C82 H84 Cu6 N8 S4 -","- C656 H672 Cu48 N64 S32 -","8","0.333333","","Das, Saikat; Sakai, Jin; Nakatani, Riki; Kondo, Ayumu; Tomioka, Rina; Das, Subhabrata; Takahashi, Shuntaro; Kawawaki, Tokuhisa; Biswas, Sourav; Negishi, Yuichi","Tunable structural rearrangement in Cu cluster assemblies through linker and solvent alterations.","Chemical science","2025","16","6","2600","2608","10.1039/d4sc07730j","","x-ray","1.54178","CuKα","","0.2063","0.1048","","","0.1627","0.243","","","","","","1.028","","","","has coordinates","298129","2025-03-04","19:21:25",""
"1573737","40.186","0.002","17.9336","0.001","43.303","0.002","90","","108.171","0.002","90","","29651","3","273.15","","273.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82 H99 Cu7 F9 N15 O15 S4 -","- C72 H81 Cu7 F6 N13 O11 S4 -","- C576 H648 Cu56 F48 N104 O88 S32 -","8","1","","Das, Saikat; Sakai, Jin; Nakatani, Riki; Kondo, Ayumu; Tomioka, Rina; Das, Subhabrata; Takahashi, Shuntaro; Kawawaki, Tokuhisa; Biswas, Sourav; Negishi, Yuichi","Tunable structural rearrangement in Cu cluster assemblies through linker and solvent alterations.","Chemical science","2025","16","6","2600","2608","10.1039/d4sc07730j","","","0.71073","MoKα","","0.1198","0.0791","","","0.2368","0.2649","","","","","","1.08","","","","has coordinates","298129","2025-03-04","19:21:26",""
"1573738","13.4577","0.0014","13.9427","0.0013","13.9994","0.0014","82.041","0.003","82.058","0.003","75.543","0.003","2504.4","0.4","273.15","","273.15","","","","","","","","","8","P -1","-P 1","2","","","","- C3.21 H3.97 Cl0.49 Cu0.48 F0.57 N0.19 O0.38 S0.29 -","- C3.04762 H3.71429 Cu0.47619 F0.571429 N0.190476 O0.380952 S0.285714 -","- C64 H78 Cu10 F12 N4 O8 S6 -","21","10.5","","Das, Saikat; Sakai, Jin; Nakatani, Riki; Kondo, Ayumu; Tomioka, Rina; Das, Subhabrata; Takahashi, Shuntaro; Kawawaki, Tokuhisa; Biswas, Sourav; Negishi, Yuichi","Tunable structural rearrangement in Cu cluster assemblies through linker and solvent alterations.","Chemical science","2025","16","6","2600","2608","10.1039/d4sc07730j","","","0.71073","MoKα","","0.0981","0.0681","","","0.1717","0.1916","","","","","","1.024","","","","has coordinates","298129","2025-03-04","19:21:27",""
"1573739","24.6205","0.0009","17.0084","0.0007","22.4482","0.0009","90","","90","","90","","9400.3","0.6","273.15","","273.15","","","","","","","","","8","I m m a","-I 2b 2","74","","","","- C42.5 H48 Cl5 Cu6 F3 N4 O2 S8 -","- C40 H43 Cu6 F3 N4 O2 S8 -","- C160 H172 Cu24 F12 N16 O8 S32 -","4","0.25","","Das, Saikat; Sakai, Jin; Nakatani, Riki; Kondo, Ayumu; Tomioka, Rina; Das, Subhabrata; Takahashi, Shuntaro; Kawawaki, Tokuhisa; Biswas, Sourav; Negishi, Yuichi","Tunable structural rearrangement in Cu cluster assemblies through linker and solvent alterations.","Chemical science","2025","16","6","2600","2608","10.1039/d4sc07730j","","","0.71073","MoKα","","0.0961","0.0796","","","0.1768","0.1862","","","","","","1.089","","","","has coordinates,has disorder","298129","2025-03-04","19:21:28",""
"1573740","13.9234","0.0004","11.9576","0.0004","23.9446","0.0007","90","","91.901","0.001","90","","3984.4","0.2","273.15","","273.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H37 Cl2 Cu5 F6 N4 O4 S3 -","- C29 H37 Cl2 Cu5 F6 N2 O4 S3 -","- C116 H148 Cl8 Cu20 F24 N8 O16 S12 -","4","1","","Das, Saikat; Sakai, Jin; Nakatani, Riki; Kondo, Ayumu; Tomioka, Rina; Das, Subhabrata; Takahashi, Shuntaro; Kawawaki, Tokuhisa; Biswas, Sourav; Negishi, Yuichi","Tunable structural rearrangement in Cu cluster assemblies through linker and solvent alterations.","Chemical science","2025","16","6","2600","2608","10.1039/d4sc07730j","","","0.71073","MoKα","","0.0691","0.0509","","","0.1206","0.1298","","","","","","1.031","","","","has coordinates","298129","2025-03-04","19:21:28",""
"1573741","20.5359","0.001","15.906","0.0008","18.1932","0.001","90","","102.802","0.002","90","","5795","0.5","90.15","","90.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","n/a","","- C2.8 H3.28 Cl0.16 Cu0.4 F0.48 N0.16 O0.32 S0.4 -","- C2.72 H3.12 Cu0.4 F0.48 N0.16 O0.32 S0.4 -","- C136 H156 Cu20 F24 N8 O16 S20 -","50","12.5","","Das, Saikat; Sakai, Jin; Nakatani, Riki; Kondo, Ayumu; Tomioka, Rina; Das, Subhabrata; Takahashi, Shuntaro; Kawawaki, Tokuhisa; Biswas, Sourav; Negishi, Yuichi","Tunable structural rearrangement in Cu cluster assemblies through linker and solvent alterations.","Chemical science","2025","16","6","2600","2608","10.1039/d4sc07730j","","","0.71073","MoKα","","0.0958","0.0582","","","0.1524","0.1738","","","","","","1.05","","","","has coordinates,has disorder","298129","2025-03-04","19:21:31",""
"1573742","17.9182","0.0007","19.9055","0.0008","13.5411","0.0006","90","","127.513","0.001","90","","3831","0.3","170","","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H42 B2 N2 O2 -","- C50 H42 B2 N2 O2 -","- C200 H168 B8 N8 O8 -","4","0.5","","Xue, Zhuixing; Xiao, Zhengqi; Zou, Yang; Chen, Zhanxiang; Liu, Jiahui; Huang, Zhongyan; Yang, Chuluo","A mesityl-functionalized double-boron-nitrogen-oxygen-embedded multi-resonance framework achieves anti-quenching narrowband deep-blue electroluminescence with EQE over 30% and CIE <sub><i>y</i></sub> of 0.046.","Chemical science","2025","16","8","3655","3661","10.1039/d4sc07503j","","","1.34139","GaKα","","0.0635","0.0548","","","0.1604","0.1686","","","","","","1.09","","","","has coordinates","298107","2025-03-04","19:07:48",""
"1573743","16.4777","0.0008","19.3715","0.0009","19.7104","0.0009","82.656","0.002","89.376","0.002","77.021","0.002","6079.5","0.5","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H62 B2 N2 O2 -","- C68 H62 B2 N2 O2 -","- C272 H248 B8 N8 O8 -","4","2","","Xue, Zhuixing; Xiao, Zhengqi; Zou, Yang; Chen, Zhanxiang; Liu, Jiahui; Huang, Zhongyan; Yang, Chuluo","A mesityl-functionalized double-boron-nitrogen-oxygen-embedded multi-resonance framework achieves anti-quenching narrowband deep-blue electroluminescence with EQE over 30% and CIE <sub><i>y</i></sub> of 0.046.","Chemical science","2025","16","8","3655","3661","10.1039/d4sc07503j","","","1.34139","GaKα","","0.083","0.069","","","0.2106","0.2235","","","","","","1.068","","","","has coordinates,has disorder","298107","2025-03-04","19:07:49",""
"1573744","20.926","0.005","20.984","0.005","21.932","0.005","64.82","0.009","76.693","0.01","77.002","0.009","8393","3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C312 H372 N36 O42 S24 Ti12 -","- C240 H264 O42 S24 Ti12 -","- C240 H264 O42 S24 Ti12 -","1","0.5","","Meng, Ru-Xin; Zhao, Lan-Cheng; Luo, Li-Pan; Tian, Yi-Qi; Shao, Yong-Liang; Tang, Qing; Wang, Likai; Yan, Jun; Liu, Chao","Atomic-level engineering of single Ag1+ site distribution on titanium–oxo cluster surfaces to boost CO2 electroreduction","Chemical Science","2025","16","16","6845","6852","10.1039/D4SC07186G","","x-ray","1.34139","GaKα","","0.1608","0.1376","","","0.3421","0.3582","","","","","","0.955","","","","has coordinates,has disorder","300613","2025-07-06","14:20:47",""
"1573745","16.0181","0.0003","18.7809","0.0003","30.2892","0.0005","90","","92.8776","0.0015","90","","9100.5","0.3","150","","150","","","","","","","","","7","I 1 2/m 1","-I 2y","12","","","","- C82 H90.68 Ag2 N O11 S8 Ti2 -","- C80 H87.678 Ag2 O11 S8 Ti2 -","- C320 H350.712 Ag8 O44 S32 Ti8 -","4","0.5","","Meng, Ru-Xin; Zhao, Lan-Cheng; Luo, Li-Pan; Tian, Yi-Qi; Shao, Yong-Liang; Tang, Qing; Wang, Likai; Yan, Jun; Liu, Chao","Atomic-level engineering of single Ag1+ site distribution on titanium–oxo cluster surfaces to boost CO2 electroreduction","Chemical Science","2025","16","16","6845","6852","10.1039/D4SC07186G","","x-ray","1.54184","CuKα","","0.1023","0.0905","","","0.2424","0.2488","","","","","","1.075","","","","has coordinates,has disorder","300613","2025-07-06","14:20:49",""
"1573746","21.329","0.003","34.611","0.005","23.413","0.005","90","","116.73","0.005","90","","15437","5","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C265.64 H306.46 Ag4.51 N12.82 O42.76 S24 Ti12 -","- C265.64 H306.46 Ag4.506 N12.82 O42.758 S24 Ti12 -","- C531.28 H612.92 Ag9.012 N25.64 O85.516 S48 Ti24 -","2","0.5","","Meng, Ru-Xin; Zhao, Lan-Cheng; Luo, Li-Pan; Tian, Yi-Qi; Shao, Yong-Liang; Tang, Qing; Wang, Likai; Yan, Jun; Liu, Chao","Atomic-level engineering of single Ag1+ site distribution on titanium–oxo cluster surfaces to boost CO2 electroreduction","Chemical Science","2025","16","16","6845","6852","10.1039/D4SC07186G","","x-ray","1.34139","GaKα","","0.107","0.0724","","","0.1936","0.2185","","","","","","1.022","","","","has coordinates,has disorder","300613","2025-07-06","14:20:50",""
"1573747","33.1669","0.0003","21.7916","0.0002","35.921","0.0006","90","","91.759","0.001","90","","25950","0.5","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C200 H221.72 Na O36 S20 Ti8 -","- C200 H221.819 Na O36 S20 Ti8 -","- C800 H887.276 Na4 O144 S80 Ti32 -","4","1","","Meng, Ru-Xin; Zhao, Lan-Cheng; Luo, Li-Pan; Tian, Yi-Qi; Shao, Yong-Liang; Tang, Qing; Wang, Likai; Yan, Jun; Liu, Chao","Atomic-level engineering of single Ag1+ site distribution on titanium–oxo cluster surfaces to boost CO2 electroreduction","Chemical Science","2025","16","16","6845","6852","10.1039/D4SC07186G","","x-ray","1.54184","CuKα","","0.1465","0.098","","","0.291","0.3272","","","","","","1.047","","","","has coordinates,has disorder","300613","2025-07-06","14:20:59",""
"1573748","11.919","0.0003","12.4961","0.0003","13.0349","0.0003","61.504","0.001","89.234","0.001","89.801","0.001","1706.07","0.07","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C2.95 H5.9 In0.1 N0.29 O0.38 -","- C2.95238 H5.90476 In0.0952381 N0.285714 O0.380952 -","- C62 H124 In2 N6 O8 -","21","10.5","","Riu, Martin-Louis Y; Shan, Jing-Ran; Houk, K. N.; Nava, Matthew","Metal-ligand cooperativity enables zero-valent metal transfer.","Chemical science","2025","16","9","3888","3894","10.1039/d4sc07938h","","x-ray","1.54178","CuKα","","0.028","0.0272","","","0.105","0.1067","","","","","","1.012","","","","has coordinates,has disorder","298152","2025-03-04","19:28:07",""
"1573749","11.7623","0.0004","12.4407","0.0005","12.9344","0.0005","118.532","0.002","91.442","0.002","90.128","0.002","1662.09","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H62 Al N3 O4 -","- C31 H62 Al N3 O4 -","- C62 H124 Al2 N6 O8 -","2","1","","Riu, Martin-Louis Y; Shan, Jing-Ran; Houk, K. N.; Nava, Matthew","Metal-ligand cooperativity enables zero-valent metal transfer.","Chemical science","2025","16","9","3888","3894","10.1039/d4sc07938h","","","1.54178","CuKα","","0.055","0.0493","","","0.1465","0.1484","","","","","","1.116","","","","has coordinates","298152","2025-03-04","19:28:07",""
"1573750","11.7627","0.0004","12.4302","0.0005","12.9451","0.0005","118.425","0.001","91.211","0.001","90.139","0.001","1664.01","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H62 Ga N3 O4 -","- C31 H62 Ga N3 O4 -","- C62 H124 Ga2 N6 O8 -","2","1","","Riu, Martin-Louis Y; Shan, Jing-Ran; Houk, K. N.; Nava, Matthew","Metal-ligand cooperativity enables zero-valent metal transfer.","Chemical science","2025","16","9","3888","3894","10.1039/d4sc07938h","","","1.54178","CuKα","","0.032","0.0306","","","0.0791","0.08","","","","","","1.085","","","","has coordinates","298152","2025-03-04","19:28:07",""
"1573751","12.4969","0.001","9.4605","0.0005","18.0744","0.0011","90","","90","","90","","2136.9","0.2","100","2","100","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C18 H36 In2 N2 O2 -","- C18 H36 In2 N2 O2 -","- C72 H144 In8 N8 O8 -","4","0.25","","Riu, Martin-Louis Y; Shan, Jing-Ran; Houk, K. N.; Nava, Matthew","Metal-ligand cooperativity enables zero-valent metal transfer.","Chemical science","2025","16","9","3888","3894","10.1039/d4sc07938h","","","0.71073","MoKα","","0.0283","0.0203","","","0.0425","0.0443","","","","","","1.035","","","","has coordinates","301209","2025-07-10","11:18:53",""
"1573752","12.0657","0.0005","12.8632","0.0005","19.2485","0.0009","90","","94.979","0.002","90","","2976.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H56 Ga N3 O3 -","- C27 H56 Ga N3 O3 -","- C108 H224 Ga4 N12 O12 -","4","1","","Riu, Martin-Louis Y; Shan, Jing-Ran; Houk, K. N.; Nava, Matthew","Metal-ligand cooperativity enables zero-valent metal transfer.","Chemical science","2025","16","9","3888","3894","10.1039/d4sc07938h","","","0.71073","MoKα","","0.0567","0.0422","","","0.0831","0.0918","","","","","","1.045","","","","has coordinates","298152","2025-03-04","19:28:07",""
"1573755","12.5383","0.0006","9.5231","0.0004","18.69","0.001","90","","97.104","0.002","90","","2214.52","0.18","100","0.2","100","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 N O2 -","- C27 H31 N O2 -","- C108 H124 N4 O8 -","4","1","","Meng, Huan; Jia, Jun-Song; Yang, Peng-Fei; Li, Yu-Long; Yu, Qiong; Shu, Wei","Ni-catalyzed regioselective and site-divergent reductive arylalkylations of allylic amines.","Chemical science","2025","16","10","4442","4449","10.1039/d4sc07728h","","x-ray","1.54178","CuKα","","0.091","0.0837","","","0.2105","0.2218","","","","","","1.053","","","","has coordinates","298795","2025-04-05","02:21:08",""
"1573756","13.8063","0.0006","17.9373","0.0008","9.9554","0.0005","90","","113.319","0.002","90","","2264.04","0.18","227","2","227","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H28 N2 O -","- C27 H28 N2 O -","- C108 H112 N8 O4 -","4","1","","Meng, Huan; Jia, Jun-Song; Yang, Peng-Fei; Li, Yu-Long; Yu, Qiong; Shu, Wei","Ni-catalyzed regioselective and site-divergent reductive arylalkylations of allylic amines.","Chemical science","2025","16","10","4442","4449","10.1039/d4sc07728h","","","1.54178","CuKα","","0.0606","0.0552","","","0.1474","0.152","","","","","","1.072","","","","has coordinates","298795","2025-04-05","02:21:09",""
"1573757","4.5931","0.0002","11.6051","0.0004","22.0202","0.0008","90","","90","","90","","1173.75","0.08","113.15","","113.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C3 H10 I3 N O Pb -","- C3 H10 I3 N O Pb -","- C12 H40 I12 N4 O4 Pb4 -","4","1","","Li, Hongxu; Cao, Rui; Tao, Min; Jiang, Jiawei; Xiao, Yin","Chiral perovskites with a unique 1D chain structure: impact of chiral ligand geometry on local inversion asymmetry and chiral-induced spin selectivity.","Chemical science","2025","16","9","4057","4065","10.1039/d4sc08434a","","x-ray","0.71073","MoKα","","0.0396","0.0367","","","0.0773","0.0793","","","","","","1.047","","","","has coordinates","298148","2025-03-04","19:27:16",""
"1573758","4.5899","0.0001","11.5987","0.0004","22.0076","0.0006","90","","90","","90","","1171.62","0.06","113.15","","113.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C3 H10 I3 N O Pb -","- C3 H10 I3 N O Pb -","- C12 H40 I12 N4 O4 Pb4 -","4","1","","Li, Hongxu; Cao, Rui; Tao, Min; Jiang, Jiawei; Xiao, Yin","Chiral perovskites with a unique 1D chain structure: impact of chiral ligand geometry on local inversion asymmetry and chiral-induced spin selectivity.","Chemical science","2025","16","9","4057","4065","10.1039/d4sc08434a","","x-ray","0.71073","MoKα","","0.0464","0.0433","","","0.0902","0.0925","","","","","","1.006","","","","has coordinates","298148","2025-03-04","19:27:16",""
"1573759","9.0752","0.0001","20.3258","0.0002","11.2289","0.0001","90","","111.107","0.001","90","","1932.33","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O3 S -","- C21 H22 N2 O3 S -","- C84 H88 N8 O12 S4 -","4","1","","Lai, Ze-Min; Xie, Ying; Huang, Le-Le; Guo, Jing; Lu, Gui","Catalytic enantioselective synthesis of α-C chiral sulfones enabled by merging photoactive electron donor-acceptor complexes with nickel catalysis.","Chemical science","2025","16","10","4352","4359","10.1039/d4sc07264b","","x-ray","1.54184","CuKα","","0.0328","0.0317","","","0.0844","0.0851","","","","","","1.039","","","","has coordinates","298791","2025-04-05","02:20:20",""
"1573760","8.6576","0.0003","11.4823","0.0004","11.8769","0.0005","70.882","0.004","79.329","0.003","82.137","0.003","1092.57","0.08","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 I N2 O -","- C24 H25 I N2 O -","- C48 H50 I2 N4 O2 -","2","1","","Wootton, Jack M.; Roper, Natalie J.; Morris, Catrin E.; Maguire, Victoria E.; Duff, Lee C.; Waddell, Paul G.; Whitwood, Adrian C.; Gammons, Richard J.; Miah, Afjal H.; Lynam, Jason M.; Armstrong, Roly J.; Unsworth, William P.","Stereoselective synthesis of atropisomeric amides enabled by intramolecular acyl transfer.","Chemical science","2025","16","9","3938","3945","10.1039/d4sc05760k","","x-ray","1.54184","CuKα","","0.0373","0.0325","","","0.0817","0.0853","","","","","","1.086","","","","has coordinates,has disorder","298153","2025-03-04","19:28:26",""
"1573761","8.3156","0.0003","15.8552","0.0005","17.6204","0.0006","90","","101.442","0.003","90","","2277","0.14","110.2","0.2","110.2","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(2-(tert-butyl)phenyl)-N-(1-phenyl-2-(pyridin-2-yl)ethyl)furan-2-carboxamide","","- C28 H28 N2 O2 -","- C28 H28 N2 O2 -","- C112 H112 N8 O8 -","4","1","","Wootton, Jack M.; Roper, Natalie J.; Morris, Catrin E.; Maguire, Victoria E.; Duff, Lee C.; Waddell, Paul G.; Whitwood, Adrian C.; Gammons, Richard J.; Miah, Afjal H.; Lynam, Jason M.; Armstrong, Roly J.; Unsworth, William P.","Stereoselective synthesis of atropisomeric amides enabled by intramolecular acyl transfer.","Chemical science","2025","16","9","3938","3945","10.1039/d4sc05760k","","x-ray","1.54184","CuKα","","0.0365","0.0312","","","0.0792","0.0819","","","","","","1.042","","","","has coordinates","298153","2025-03-04","19:28:27",""
"1573762","11.85289","0.00015","23.3855","0.0003","8.96547","0.0001","90","","104.164","0.0012","90","","2409.55","0.05","110","0.1","110","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(2-(tert-butyl)phenyl)-N-(1-phenyl-2-(pyridin-2-yl)ethyl)benzamide","","- C30 H30 N2 O -","- C30 H30 N2 O -","- C120 H120 N8 O4 -","4","1","","Wootton, Jack M.; Roper, Natalie J.; Morris, Catrin E.; Maguire, Victoria E.; Duff, Lee C.; Waddell, Paul G.; Whitwood, Adrian C.; Gammons, Richard J.; Miah, Afjal H.; Lynam, Jason M.; Armstrong, Roly J.; Unsworth, William P.","Stereoselective synthesis of atropisomeric amides enabled by intramolecular acyl transfer.","Chemical science","2025","16","9","3938","3945","10.1039/d4sc05760k","","x-ray","1.54184","CuKα","","0.0379","0.0349","","","0.089","0.0912","","","","","","1.036","","","","has coordinates","298153","2025-03-04","19:28:27",""
"1573763","8.7877","0.0001","13.2804","0.0002","10.4903","0.0001","90","","93.628","0.001","90","","1221.81","0.03","110","0.1","110","","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(4-(benzyl(methyl)amino)butan-2-yl)-N-(2-(tert-butyl)phenyl)benzamide","","- C29 H36 N2 O -","- C29 H36 N2 O -","- C58 H72 N4 O2 -","2","1","","Wootton, Jack M.; Roper, Natalie J.; Morris, Catrin E.; Maguire, Victoria E.; Duff, Lee C.; Waddell, Paul G.; Whitwood, Adrian C.; Gammons, Richard J.; Miah, Afjal H.; Lynam, Jason M.; Armstrong, Roly J.; Unsworth, William P.","Stereoselective synthesis of atropisomeric amides enabled by intramolecular acyl transfer.","Chemical science","2025","16","9","3938","3945","10.1039/d4sc05760k","","x-ray","1.54184","CuKα","","0.0262","0.0253","","","0.0651","0.0658","","","","","","1.057","","","","has coordinates","298153","2025-03-04","19:28:27",""
"1573764","9.0247","0.0001","13.2322","0.0002","18.6064","0.0003","100.728","0.001","100.909","0.001","105.883","0.001","2030.78","0.05","109.95","0.1","109.95","0.1","","","","","","","","4","P -1","-P 1","2","","N-(2-(tert-butyl)phenyl)-N-(phenyl(pyridin-2-yl)methyl)propionamide","","- C25 H28 N2 O -","- C25 H28 N2 O -","- C100 H112 N8 O4 -","4","2","","Wootton, Jack M.; Roper, Natalie J.; Morris, Catrin E.; Maguire, Victoria E.; Duff, Lee C.; Waddell, Paul G.; Whitwood, Adrian C.; Gammons, Richard J.; Miah, Afjal H.; Lynam, Jason M.; Armstrong, Roly J.; Unsworth, William P.","Stereoselective synthesis of atropisomeric amides enabled by intramolecular acyl transfer.","Chemical science","2025","16","9","3938","3945","10.1039/d4sc05760k","","x-ray","1.54184","CuKα","","0.0442","0.0393","","","0.1064","0.1103","","","","","","1.079","","","","has coordinates","298153","2025-03-04","19:28:27",""
"1573765","9.0232","0.0001","10.8445","0.0001","12.5529","0.0002","95.795","0.001","99.084","0.001","96.98","0.001","1194.85","0.03","150","0.2","150","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N2 O -","- C30 H30 N2 O -","- C60 H60 N4 O2 -","2","1","","Wootton, Jack M.; Roper, Natalie J.; Morris, Catrin E.; Maguire, Victoria E.; Duff, Lee C.; Waddell, Paul G.; Whitwood, Adrian C.; Gammons, Richard J.; Miah, Afjal H.; Lynam, Jason M.; Armstrong, Roly J.; Unsworth, William P.","Stereoselective synthesis of atropisomeric amides enabled by intramolecular acyl transfer.","Chemical science","2025","16","9","3938","3945","10.1039/d4sc05760k","","x-ray","1.54184","CuKα","","0.0398","0.036","","","0.094","0.0969","","","","","","1.073","","","","has coordinates","298153","2025-03-04","19:28:27",""
"1573766","10.5221","0.0002","12.1599","0.0002","18.0206","0.0003","73.817","0.001","78.768","0.001","78.192","0.001","2144.08","0.07","213","","213","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 B10 O -","- C20 H24 B10 O -","- C80 H96 B40 O4 -","4","2","","Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.","Chemical science","2025","16","8","3705","3712","10.1039/d4sc08496a","","","1.34139","GaKα","","0.0915","0.0728","","","0.1996","0.2188","","","","","","1.091","","","","has coordinates","298105","2025-03-04","19:07:09",""
"1573767","10.8412","0.0003","19.4475","0.0006","23.3896","0.0007","75.392","0.002","80.868","0.002","87.318","0.002","4711.3","0.2","213","","213","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H24 B10 -","- C26 H24 B10 -","- C208 H192 B80 -","8","4","","Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.","Chemical science","2025","16","8","3705","3712","10.1039/d4sc08496a","","","1.34139","GaKα","","0.0822","0.0589","","","0.1545","0.1709","","","","","","1.03","","","","has coordinates","298105","2025-03-04","19:07:09",""
"1573768","9.9506","0.0003","13.287","0.0004","12.6971","0.0004","90","","101.393","0.001","90","","1645.65","0.09","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 B10 -","- C14 H18 B10 -","- C56 H72 B40 -","4","1","","Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.","Chemical science","2025","16","8","3705","3712","10.1039/d4sc08496a","","","1.34139","GaKα","","0.0736","0.0621","","","0.1748","0.1837","","","","","","1.086","","","","has coordinates","298105","2025-03-04","19:07:09",""
"1573769","7.1385","0.0006","22.1234","0.0014","10.2306","0.0007","90","","95.391","0.005","90","","1608.6","0.2","221.42","","221.42","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 B10 O -","- C13 H18 B10 O -","- C52 H72 B40 O4 -","4","1","","Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.","Chemical science","2025","16","8","3705","3712","10.1039/d4sc08496a","","","1.34139","GaKα","","0.1245","0.0977","","","0.25","0.278","","","","","","1.069","","","","has coordinates","298105","2025-03-04","19:07:09",""
"1573770","11.0634","0.0002","14.0548","0.0002","20.6273","0.0003","90","","92.773","0.001","90","","3203.66","0.09","170","","170","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 B10 -","- C14 H18 B10 -","- C112 H144 B80 -","8","2","","Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.","Chemical science","2025","16","8","3705","3712","10.1039/d4sc08496a","","","1.34139","GaKα","","0.0514","0.0407","","","0.1099","0.1151","","","","","","1.041","","","","has coordinates","298105","2025-03-04","19:07:09",""
"1573771","24.0114","0.0005","8.3879","0.0002","19.3844","0.0004","90","","99.3","0.001","90","","3852.8","0.15","170","","170","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 B10 -","- C19 H20 B10 -","- C152 H160 B80 -","8","1","","Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.","Chemical science","2025","16","8","3705","3712","10.1039/d4sc08496a","","","1.34139","GaKα","","0.0759","0.0494","","","0.118","0.1336","","","","","","1.039","","","","has coordinates","298105","2025-03-04","19:07:09",""
"1573772","10.7343","0.0002","15.469","0.0003","13.0999","0.0002","90","","94.563","0.001","90","","2168.33","0.07","213","","213","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 B10 Si -","- C18 H28 B10 Si -","- C72 H112 B40 Si4 -","4","1","","Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.","Chemical science","2025","16","8","3705","3712","10.1039/d4sc08496a","","","1.34139","GaKα","","0.0517","0.0409","","","0.1068","0.1134","","","","","","1.047","","","","has coordinates","298105","2025-03-04","19:07:09",""
"1573773","17.6926","0.0003","7.5803","0.0001","31.0434","0.0005","90","","90","","90","","4163.39","0.11","226","","226","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H24 B10 -","- C21 H24 B10 -","- C168 H192 B80 -","8","1","","Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.","Chemical science","2025","16","8","3705","3712","10.1039/d4sc08496a","","","1.34139","GaKα","","0.0518","0.0414","","","0.1065","0.1137","","","","","","1.051","","","","has coordinates","298105","2025-03-04","19:07:09",""
"1573774","10.1324","0.0001","15.565","0.0002","16.148","0.0002","90","","90","","90","","2546.71","0.05","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 B10 O -","- C26 H28 B10 O -","- C104 H112 B40 O4 -","4","1","","Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.","Chemical science","2025","16","8","3705","3712","10.1039/d4sc08496a","","","1.34139","GaKα","","0.0334","0.0312","","","0.0786","0.0801","","","","","","1.057","","","","has coordinates","298105","2025-03-04","19:07:09",""
"1573775","7.4914","0.0001","17.9215","0.0003","16.097","0.0003","90","","90.673","0.001","90","","2160.99","0.06","213","","213","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H20 B10 -","- C22 H20 B10 -","- C88 H80 B40 -","4","2","","Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.","Chemical science","2025","16","8","3705","3712","10.1039/d4sc08496a","","","1.34139","GaKα","","0.0592","0.0444","","","0.0971","0.1047","","","","","","1.036","","","","has coordinates","298105","2025-03-04","19:07:10",""
"1573776","11.4881","0.0009","13.9932","0.0011","14.0464","0.0012","80.467","0.003","79.395","0.003","71.939","0.003","2095.8","0.3","170","","170","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H20 B10 -","- C22 H20 B10 -","- C88 H80 B40 -","4","2","","Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.","Chemical science","2025","16","8","3705","3712","10.1039/d4sc08496a","","","1.34139","GaKα","","0.095","0.0665","","","0.1787","0.2006","","","","","","1.033","","","","has coordinates","298105","2025-03-04","19:07:10",""
"1573777","15.0683","0.0008","18.877","0.0009","18.5211","0.001","90","","90.849","0.004","90","","5267.6","0.5","225","","225","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 B10 O -","- C28 H28 B10 O -","- C224 H224 B80 O8 -","8","2","","Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.","Chemical science","2025","16","8","3705","3712","10.1039/d4sc08496a","","","1.34139","GaKα","","0.1665","0.1093","","","0.2944","0.344","","","","","","1.08","","","","has coordinates","298105","2025-03-04","19:07:10",""
"1573779","15.8746","0.0012","19.1113","0.0014","17.1888","0.0014","90","","97.354","0.003","90","","5171.9","0.7","297","","297","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C64 H60 O2 -","- C64 H60 O2 -","- C256 H240 O8 -","4","0.5","","Xu, Xiang; Ma, Hao-Ran; Cui, Jian-Fang; Peng, Xiao-Shui; Wong, Henry N. C.","Regioselective late-stage functionalization of tetraphenylenes: rapid construction of double helical architectures and potential hole transport materials.","Chemical science","2025","16","10","4342","4351","10.1039/d4sc07803a","","","0.71073","MoKα","","0.1208","0.0668","","","0.1452","0.1765","","","","","","1.02","","","","has coordinates","298790","2025-04-05","02:20:12",""
"1573780","6.0084","0.0001","9.2515","0.0002","15.0308","0.0003","102.542","0.001","99.903","0.001","102.191","0.001","776.13","0.03","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N2 O2 S -","- C17 H18 N2 O2 S -","- C34 H36 N4 O4 S2 -","2","1","","Erchinger, Johannes E.; Lenz, Madina; Mukherjee, Poulami; Li, Yan-Bo; Suresh, Adhya; Daniliuc, Constantin G.; Gutierrez, Osvaldo; Glorius, Frank","Mechanistic insights into the regiodivergent insertion of bicyclo[1.1.0]butanes towards carbocycle-tethered N-heteroarenes.","Chemical science","2025","16","9","4006","4013","10.1039/d4sc08637f","","x-ray","1.54178","CuKα","","0.0377","0.0336","","","0.0848","0.0875","","","","","","1.058","","","","has coordinates","298155","2025-03-04","19:28:59",""
"1573781","5.7579","0.0001","16.2633","0.0004","16.7223","0.0004","90","","95.874","0.001","90","","1557.7","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 O2 S -","- C17 H18 N2 O2 S -","- C68 H72 N8 O8 S4 -","4","1","","Erchinger, Johannes E.; Lenz, Madina; Mukherjee, Poulami; Li, Yan-Bo; Suresh, Adhya; Daniliuc, Constantin G.; Gutierrez, Osvaldo; Glorius, Frank","Mechanistic insights into the regiodivergent insertion of bicyclo[1.1.0]butanes towards carbocycle-tethered N-heteroarenes.","Chemical science","2025","16","9","4006","4013","10.1039/d4sc08637f","","x-ray","1.54178","CuKα","","0.0392","0.0321","","","0.0753","0.0796","","","","","","1.039","","","","has coordinates,has disorder","298155","2025-03-04","19:28:59",""
"1573782","10.758","0.0004","7.7718","0.0003","38.4713","0.0017","90","","90","","90","","3216.5","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H15 N3 O S2 -","- C17 H15 N3 O S2 -","- C136 H120 N24 O8 S16 -","8","1","","Erchinger, Johannes E.; Lenz, Madina; Mukherjee, Poulami; Li, Yan-Bo; Suresh, Adhya; Daniliuc, Constantin G.; Gutierrez, Osvaldo; Glorius, Frank","Mechanistic insights into the regiodivergent insertion of bicyclo[1.1.0]butanes towards carbocycle-tethered N-heteroarenes.","Chemical science","2025","16","9","4006","4013","10.1039/d4sc08637f","","x-ray","0.71073","MoKα","","0.0506","0.0373","","","0.097","0.1041","","","","","","1.062","","","","has coordinates","298155","2025-03-04","19:28:59",""
"1573783","8.9802","0.0003","15.5193","0.0007","21.2731","0.0008","90","","100.955","0.0012","90","","2910.7","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H41 Cl2 N2 P Si -","- C27 H41 Cl2 N2 P Si -","- C108 H164 Cl8 N8 P4 Si4 -","4","1","","Phang, Si Jia Isabel; Zhang, Zheng-Feng; Wu, Chi-Shiun; Wong, Zhen Xuan; Su, Ming-Der; So, Cheuk-Wai","A silicon analogue of a fused bicyclic borirene derivative.","Chemical science","2025","16","10","4512","4518","10.1039/d4sc05867d","","x-ray","0.71073","MoKα","","0.0824","0.0457","","","0.1","0.1149","","","","","","1.026","","","","has coordinates","298793","2025-04-05","02:20:50",""
"1573784","9.951","0.0004","24.2287","0.001","11.914","0.0005","90","","114.187","0.0013","90","","2620.29","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H80 B2 N4 P2 Si2 -","- C54 H80 B2 N4 P2 Si2 -","- C108 H160 B4 N8 P4 Si4 -","2","0.5","","Phang, Si Jia Isabel; Zhang, Zheng-Feng; Wu, Chi-Shiun; Wong, Zhen Xuan; Su, Ming-Der; So, Cheuk-Wai","A silicon analogue of a fused bicyclic borirene derivative.","Chemical science","2025","16","10","4512","4518","10.1039/d4sc05867d","","x-ray","0.71073","MoKα","","0.1254","0.0616","","","0.1079","0.1368","","","","","","1.02","","","","has coordinates","298793","2025-04-05","02:20:50",""
"1573785","15.8487","0.0006","10.8456","0.0004","16.0281","0.0005","90","","90","","90","","2755.05","0.17","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27 H40 Cl N2 P Si -","- C27 H40 Cl N2 P Si -","- C108 H160 Cl4 N8 P4 Si4 -","4","1","","Phang, Si Jia Isabel; Zhang, Zheng-Feng; Wu, Chi-Shiun; Wong, Zhen Xuan; Su, Ming-Der; So, Cheuk-Wai","A silicon analogue of a fused bicyclic borirene derivative.","Chemical science","2025","16","10","4512","4518","10.1039/d4sc05867d","","x-ray","0.71073","MoKα","","0.1263","0.0606","","","0.1204","0.1451","","","","","","1.028","","","","has coordinates","298793","2025-04-05","02:20:50",""
"1573786","10.922","0.002","12.04","0.002","13.307","0.002","105.263","0.005","106.255","0.005","95.783","0.006","1591.7","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C61 H88 B2 Cl2.03 I1.97 N4 P2 Si2 -","- C61 H88 B2 Cl2.03 I1.97 N4 P2 Si2 -","- C61 H88 B2 Cl2.03 I1.97 N4 P2 Si2 -","1","0.5","","Phang, Si Jia Isabel; Zhang, Zheng-Feng; Wu, Chi-Shiun; Wong, Zhen Xuan; Su, Ming-Der; So, Cheuk-Wai","A silicon analogue of a fused bicyclic borirene derivative.","Chemical science","2025","16","10","4512","4518","10.1039/d4sc05867d","","x-ray","0.71073","MoKα","","0.1605","0.081","","","0.1677","0.211","","","","","","1.019","","","","has coordinates,has disorder","298793","2025-04-05","02:20:50",""
"1573787","9.1943","0.0008","20.6319","0.0016","17.5682","0.0014","90","","98.264","0.003","90","","3298","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H40 B Cl I3 N2 P Si -","- C27 H40 B Cl I3 N2 P Si -","- C108 H160 B4 Cl4 I12 N8 P4 Si4 -","4","1","","Phang, Si Jia Isabel; Zhang, Zheng-Feng; Wu, Chi-Shiun; Wong, Zhen Xuan; Su, Ming-Der; So, Cheuk-Wai","A silicon analogue of a fused bicyclic borirene derivative.","Chemical science","2025","16","10","4512","4518","10.1039/d4sc05867d","","x-ray","0.71073","MoKα","","0.0596","0.0477","","","0.1016","0.1068","","","","","","1.188","","","","has coordinates","298793","2025-04-05","02:20:50",""
"1573788","11.1528","0.0002","22.0855","0.0005","27.2759","0.0007","90","","90","","90","","6718.5","0.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C31 H48 B Cl3 N2 O P Si -","- C31 H48 B Cl3 N2 O P Si -","- C248 H384 B8 Cl24 N16 O8 P8 Si8 -","8","2","","Phang, Si Jia Isabel; Zhang, Zheng-Feng; Wu, Chi-Shiun; Wong, Zhen Xuan; Su, Ming-Der; So, Cheuk-Wai","A silicon analogue of a fused bicyclic borirene derivative.","Chemical science","2025","16","10","4512","4518","10.1039/d4sc05867d","","x-ray","1.54178","CuKα","","0.0499","0.0402","","","0.0906","0.095","","","","","","1.029","","","","has coordinates,has disorder","298793","2025-04-05","02:20:50",""
"1573801","8.421","0.0017","13.116","0.003","15.113","0.003","90","","90","","90","","1669.2","0.6","293","2","293","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 -","- C24 H20 -","- C96 H80 -","4","1","","Martinez-Fernandez, L; Wu, Peicong; Bao, Lin-Tao; Wang, Xueli; Zhang, Rui-Hua; Wang, Wei; Yang, Hai-Bo; Chen, Jinquan; Improta, R.","On the nature of the triplet electronic states of naphthalene dimers.","Chemical science","2025","16","10","4469","4479","10.1039/d4sc07982e","","","0.71073","MoKα","","0.0589","0.0573","","","0.1521","0.1544","","","","","","1.077","","","","has coordinates","298792","2025-04-05","02:20:36",""
"1573802","8.4113","0.0002","11.9596","0.0002","8.1538","0.0002","90","","105.735","0.003","90","","789.5","0.03","292.63","0.1","292.63","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 -","- C24 H20 -","- C48 H40 -","2","0.5","","Martinez-Fernandez, L; Wu, Peicong; Bao, Lin-Tao; Wang, Xueli; Zhang, Rui-Hua; Wang, Wei; Yang, Hai-Bo; Chen, Jinquan; Improta, R.","On the nature of the triplet electronic states of naphthalene dimers.","Chemical science","2025","16","10","4469","4479","10.1039/d4sc07982e","","x-ray","1.54184","CuKα","","0.0429","0.0388","","","0.0966","0.0988","","","","","","1.059","","","","has coordinates","298792","2025-04-05","02:20:36",""
"1573803","8.4807","0.0003","8.4592","0.0003","11.4471","0.0004","90","","96.815","0.003","90","","815.41","0.05","173","0.1","173","0.1","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C24 H20 -","- C24 H20 -","- C48 H40 -","2","1","","Martinez-Fernandez, L; Wu, Peicong; Bao, Lin-Tao; Wang, Xueli; Zhang, Rui-Hua; Wang, Wei; Yang, Hai-Bo; Chen, Jinquan; Improta, R.","On the nature of the triplet electronic states of naphthalene dimers.","Chemical science","2025","16","10","4469","4479","10.1039/d4sc07982e","","x-ray","1.54184","CuKα","","0.1073","0.1071","","","0.2984","0.2985","","","","","","1.123","","","","has coordinates","298792","2025-04-05","02:20:36",""
"1573804","8.9248","0.0003","8.9248","0.0003","20.831","0.002","90","","90","","90","","1659.23","0.18","293","1","293","1","","","","","","","","2","P 43 21 2","P 4nw 2abw","96","","","","- C24 H20 -","- C24 H20 -","- C96 H80 -","4","0.5","","Martinez-Fernandez, L; Wu, Peicong; Bao, Lin-Tao; Wang, Xueli; Zhang, Rui-Hua; Wang, Wei; Yang, Hai-Bo; Chen, Jinquan; Improta, R.","On the nature of the triplet electronic states of naphthalene dimers.","Chemical science","2025","16","10","4469","4479","10.1039/d4sc07982e","","x-ray","1.54178","CuKα","","0.0739","0.0547","","","0.1646","0.1878","","","","","","1.076","","","","has coordinates,has disorder","298792","2025-04-05","02:20:36",""
"1573805","15.7313","0.0006","13.606","0.0005","24.1199","0.001","90","","108.505","0.001","90","","4895.7","0.3","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 Br N3 O3 -","- C30 H20 Br N3 O3 -","- C240 H160 Br8 N24 O24 -","8","2","","Luo, Wenjun; Zheng, Xinghua; Lin, Hehua; Fu, Li; Long, Lipeng; Yu, Daohong; Chen, Zhengwang; Yang, Min; Wang, Zhong-Xia","Discovery of intermolecular cascade annulation for dihydrobenzo[<i>b</i>][1,8]naphthyridine-ylidene-pyrrolidinetriones.","Chemical science","2025","16","9","4119","4126","10.1039/d4sc07999j","","","1.34139","GaKα","","0.0445","0.0366","","","0.0896","0.0943","","","","","","1.069","","","","has coordinates","298150","2025-03-04","19:27:38",""
"1573806","13.3952","0.0016","7.8096","0.0009","30.55","0.004","90","","95.775","0.004","90","","3179.7","0.7","173","2","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69.07 H62 Cl6 O4 P2 S2 -","- C67.98 H71.94 Cl6 O4 P2 S2 -","- C135.96 H143.88 Cl12 O8 P4 S4 -","2","0.5","","Dadgaryeganeh, Reza; LeBlanc, Jesse; Pradhan, Ekadashi; Miao, Dandan; Hussein, Amaar; Hunter, Howard N.; Zeng, Tao; Romero-Nieto, Carlos; Baumgartner, Thomas","From flat to twisted - multifunctional phosphacyclic nanocarbons based on Vat Orange 3.","Chemical science","2025","16","8","3680","3692","10.1039/d4sc07106a","","","0.71073","MoKα","","0.1722","0.0997","","","0.1631","0.1927","","","","","","1.065","","","","has coordinates,has disorder","298108","2025-03-04","19:08:34",""
"1573807","8.2286","0.0003","11.7231","0.0004","17.5716","0.0006","92.692","0.001","93.084","0.001","108.449","0.001","1601.93","0.1","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H76 Cl6 O4 P2 -","- C72 H76 Cl6 O4 P2 -","- C72 H76 Cl6 O4 P2 -","1","0.5","","Dadgaryeganeh, Reza; LeBlanc, Jesse; Pradhan, Ekadashi; Miao, Dandan; Hussein, Amaar; Hunter, Howard N.; Zeng, Tao; Romero-Nieto, Carlos; Baumgartner, Thomas","From flat to twisted - multifunctional phosphacyclic nanocarbons based on Vat Orange 3.","Chemical science","2025","16","8","3680","3692","10.1039/d4sc07106a","","","0.71073","MoKα","","0.0594","0.0436","","","0.0961","0.1061","","","","","","1.025","","","","has coordinates,has disorder","298108","2025-03-04","19:08:35",""
"1573808","22.2953","0.001","32.7948","0.001","8.1542","0.0003","90","","101.91","0.002","90","","5833.8","0.4","173","2","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C70 H80.01 O7 P2 -","- C70 H80.0066 O7 P2 -","- C280 H320.026 O28 P8 -","4","0.5","","Dadgaryeganeh, Reza; LeBlanc, Jesse; Pradhan, Ekadashi; Miao, Dandan; Hussein, Amaar; Hunter, Howard N.; Zeng, Tao; Romero-Nieto, Carlos; Baumgartner, Thomas","From flat to twisted - multifunctional phosphacyclic nanocarbons based on Vat Orange 3.","Chemical science","2025","16","8","3680","3692","10.1039/d4sc07106a","","","0.71073","MoKα","","0.1064","0.089","","","0.1585","0.1653","","","","","","1.228","","","","has coordinates,has disorder","298108","2025-03-04","19:08:35",""
"1573809","18.8221","0.0006","34.2599","0.0011","8.6524","0.0003","90","","90","","90","","5579.4","0.3","173","2","173","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C35 H37 O2 P -","- C35 H37 O2 P -","- C280 H296 O16 P8 -","8","1","","Dadgaryeganeh, Reza; LeBlanc, Jesse; Pradhan, Ekadashi; Miao, Dandan; Hussein, Amaar; Hunter, Howard N.; Zeng, Tao; Romero-Nieto, Carlos; Baumgartner, Thomas","From flat to twisted - multifunctional phosphacyclic nanocarbons based on Vat Orange 3.","Chemical science","2025","16","8","3680","3692","10.1039/d4sc07106a","","","0.71073","MoKα","","0.1379","0.1185","","","0.2102","0.2181","","","","","","1.26","","","","has coordinates","298108","2025-03-04","19:08:35",""
"1573810","58.8812","0.0019","8.3047","0.0003","34.7288","0.0011","90","","97.344","0.001","90","","16842.7","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C70 H71.53 O4 P2 -","- C70 H71.5333 O4 P2 -","- C840 H858.4 O48 P24 -","12","1.5","","Dadgaryeganeh, Reza; LeBlanc, Jesse; Pradhan, Ekadashi; Miao, Dandan; Hussein, Amaar; Hunter, Howard N.; Zeng, Tao; Romero-Nieto, Carlos; Baumgartner, Thomas","From flat to twisted - multifunctional phosphacyclic nanocarbons based on Vat Orange 3.","Chemical science","2025","16","8","3680","3692","10.1039/d4sc07106a","","","0.71073","MoKα","","0.0915","0.0774","","","0.1799","0.1883","","","","","","1.136","","","","has coordinates,has disorder","298108","2025-03-04","19:08:35",""
"1573816","16.1964","0.0008","18.6192","0.0011","18.8234","0.0011","83.984","0.005","80.702","0.004","73.139","0.005","5351","0.5","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C109 H108 Cl2 N8 Pd6 Si2 -","- C109 H108 Cl2 N8 Pd6 Si2 -","- C218 H216 Cl4 N16 Pd12 Si4 -","2","1","","Mitomo, Taiga; Wada, Yoshimasa; Suda, Tetsuro; Tamura, Atsushi; Yagi, Shunsuke; Kikkawa, Soichi; Yamazoe, Seiji; Sunada, Yusuke","A coordination polymer with a silylene-supported Pd<sub>6</sub> core as an efficient heterogeneous hydrogenation catalyst.","Chemical science","2025","16","10","4450","4455","10.1039/d4sc05663a","","","0.71073","MoKα","","0.274","0.0869","","","0.1433","0.2086","","","","","","0.942","","","","has coordinates","298794","2025-04-05","02:20:59",""
"1573826","9.1461","0.0002","9.5974","0.0002","20.7405","0.0005","97.081","0.001","102.662","0.001","92.41","0.001","1758.26","0.07","235","","","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H47 Br3 N2 Ni2 O3 -","- C32 H47 Br3 N2 Ni2 O3 -","- C64 H94 Br6 N4 Ni4 O6 -","2","1","","Lu, Yuan; Ji, Gang; Yu, Shuyang; Ning, Xiaoshan; Sun, Xiu-Li; Gao, Yanshan; Wang, Xiaoyan; Tang, Yong","Binuclear Ni catalyzed ethylene copolymerization with short chain alkenol monomers","Polymer Chemistry","2025","16","10","1146","1154","10.1039/D4PY01480D","","","1.34139","GaKα","","0.0492","0.0463","","","0.1273","0.1302","","","","","","1.079","","","","has coordinates","299150","2025-04-05","04:24:16",""
"1573827","14.9658","0.0009","19.0661","0.0009","16.9642","0.0009","90","","98.546","0.002","90","","4786.8","0.4","296","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H61 Br3 N2 Ni2 O3 -","- C39 H61 Br3 N2 Ni2 O3 -","- C156 H244 Br12 N8 Ni8 O12 -","4","1","","Lu, Yuan; Ji, Gang; Yu, Shuyang; Ning, Xiaoshan; Sun, Xiu-Li; Gao, Yanshan; Wang, Xiaoyan; Tang, Yong","Binuclear Ni catalyzed ethylene copolymerization with short chain alkenol monomers","Polymer Chemistry","2025","16","10","1146","1154","10.1039/D4PY01480D","","","0.71073","MoKα","","0.0793","0.0453","","","0.1112","0.1222","","","","","","0.975","","","","has coordinates","299150","2025-04-05","04:24:17",""
"1573833","11.9665","0.0015","10.5773","0.0013","19.8113","0.0019","90","","100.165","0.008","90","","2468.2","0.5","300","","300","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H33 F6 N2 O6 P -","- C18 H33 F6 N2 O6 P -","- C72 H132 F24 N8 O24 P4 -","4","1","","Zhu, Ming; Huang, Pei-Zhi; Li, Lin-Mei; Yang, Yi-Xuan; Pan, Lei; Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Feng-Wen; Teri, Gele; Zhang, Zhi-Xu; Liu, Zunqi; Fu, Da-Wei; Zhang, Yi","Thermal-responsive luminescence/dielectric responses with reversibly shifted light emissions.","Chemical science","2025","16","9","4101","4108","10.1039/d4sc06631f","","","1.54184","CuKα","","0.1641","0.1246","","","0.2377","0.2549","","","","","","0.999","","","","has coordinates","298154","2025-03-04","19:28:47",""
"1573834","7.8459","0.0016","9.828","0.002","10.5087","0.0015","90","","92.439","0.011","90","","809.6","0.3","303","","303","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 F6 N4 P -","- C12 H18 F6 N4 P -","- C24 H36 F12 N8 P2 -","2","0.5","","Zhu, Ming; Huang, Pei-Zhi; Li, Lin-Mei; Yang, Yi-Xuan; Pan, Lei; Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Feng-Wen; Teri, Gele; Zhang, Zhi-Xu; Liu, Zunqi; Fu, Da-Wei; Zhang, Yi","Thermal-responsive luminescence/dielectric responses with reversibly shifted light emissions.","Chemical science","2025","16","9","4101","4108","10.1039/d4sc06631f","","","1.54184","CuKα","","0.1085","0.0805","","","0.2289","0.2562","","","","","","1.125","","","","has coordinates","298154","2025-03-04","19:28:48",""
"1573835","12.022","0.0015","10.629","0.002","19.921","0.004","90","","100.318","0.013","90","","2504.4","0.8","343","","343","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H33 F6 N2 O6 P -","- C18 H33 F6 N2 O6 P -","- C72 H132 F24 N8 O24 P4 -","4","1","","Zhu, Ming; Huang, Pei-Zhi; Li, Lin-Mei; Yang, Yi-Xuan; Pan, Lei; Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Feng-Wen; Teri, Gele; Zhang, Zhi-Xu; Liu, Zunqi; Fu, Da-Wei; Zhang, Yi","Thermal-responsive luminescence/dielectric responses with reversibly shifted light emissions.","Chemical science","2025","16","9","4101","4108","10.1039/d4sc06631f","","","1.54184","CuKα","","0.2332","0.1255","","","0.2452","0.2979","","","","","","1.043","","","","has coordinates","298154","2025-03-04","19:28:48",""
"1573836","11.994","0.005","10.463","0.003","19.815","0.009","90","","100.89","0.02","90","","2441.9","1.7","403","","403","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H33 F6 N2 O6 P -","- C18 H33 F6 N2 O6 P -","- C72 H132 F24 N8 O24 P4 -","4","1","","Zhu, Ming; Huang, Pei-Zhi; Li, Lin-Mei; Yang, Yi-Xuan; Pan, Lei; Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Feng-Wen; Teri, Gele; Zhang, Zhi-Xu; Liu, Zunqi; Fu, Da-Wei; Zhang, Yi","Thermal-responsive luminescence/dielectric responses with reversibly shifted light emissions.","Chemical science","2025","16","9","4101","4108","10.1039/d4sc06631f","","","1.54184","CuKα","","0.2635","0.1381","","","0.2825","0.3326","","","","","","0.998","","","","has coordinates","298154","2025-03-04","19:28:48",""
"1573837","12.137","0.003","10.6827","0.0016","20.015","0.006","90","","100.751","0.015","90","","2549.5","1.1","423","","423","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H33 F6 N2 O6 P -","- C18 H33 F6 N2 O6 P -","- C72 H132 F24 N8 O24 P4 -","4","1","","Zhu, Ming; Huang, Pei-Zhi; Li, Lin-Mei; Yang, Yi-Xuan; Pan, Lei; Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Feng-Wen; Teri, Gele; Zhang, Zhi-Xu; Liu, Zunqi; Fu, Da-Wei; Zhang, Yi","Thermal-responsive luminescence/dielectric responses with reversibly shifted light emissions.","Chemical science","2025","16","9","4101","4108","10.1039/d4sc06631f","","","1.54184","CuKα","","0.297","0.1446","","","0.3005","0.3477","","","","","","1.173","","","","has coordinates","298154","2025-03-04","19:28:48",""
"1573838","11.985","0.005","10.522","0.003","19.813","0.007","90","","100.634","0.018","90","","2455.6","1.5","383","","383","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H33 F6 N2 O6 P -","- C18 H33 F6 N2 O6 P -","- C72 H132 F24 N8 O24 P4 -","4","1","","Zhu, Ming; Huang, Pei-Zhi; Li, Lin-Mei; Yang, Yi-Xuan; Pan, Lei; Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Feng-Wen; Teri, Gele; Zhang, Zhi-Xu; Liu, Zunqi; Fu, Da-Wei; Zhang, Yi","Thermal-responsive luminescence/dielectric responses with reversibly shifted light emissions.","Chemical science","2025","16","9","4101","4108","10.1039/d4sc06631f","","","1.54184","CuKα","","0.1736","0.1179","","","0.2357","0.2606","","","","","","0.986","","","","has coordinates","298154","2025-03-04","19:28:48",""
"1573839","13.6682","0.00008","13.6682","0.00008","13.6682","0.00008","90","","90","","90","","2553.49","0.03","100","0.1","100","0.1","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","NU-2500","","- C27 H9 O18 Th2 -","- C27 H9 O18 Th2 -","- C108 H36 O72 Th8 -","4","0.0208333","","Gaidimas, Madeleine A.; Smoljan, Courtney S.; Ye, Zi-Ming; Stern, Charlotte L.; Malliakas, Christos D.; Kirlikovali, Kent O.; Farha, Omar K.","Thorium metal-organic framework crystallization for efficient recovery from rare earth element mixtures.","Chemical science","2025","16","9","3895","3903","10.1039/d4sc07652d","","x-ray","1.54184","CuKα","","0.0399","0.0394","","","0.0965","0.0971","","","","","","1.175","","","","has coordinates,has disorder","298149","2025-03-04","19:27:27",""
"1573840","14.617","0.0009","30.092","0.012","3.6052","0.0003","90","","90","","90","","1585.8","0.7","273.15","","273.15","","","","","","","","","3","F d d 2","F 2 -2d","43","Furil, phase I","Di(furan-2-yl)ethanedione","","- C10 H6 O4 -","- C10 H6 O4 -","- C80 H48 O32 -","8","0.5","","Dunning, Samuel G.; Hari, Anirudh; Zhu, Li; Chen, Bo; Cody, George D.; Romi, Sebastiano; Zhang, Dongzhou; Strobel, Timothy A.","Double-core nanothread formation from α-furil <i>via</i> a pressure-induced planarization pathway.","Chemical science","2025","16","9","4144","4151","10.1039/d4sc07412b","","","0.434","Synchrotron","","0.2018","0.1158","","","0.2565","0.2823","","","","","","1.365","","","","has coordinates","298147","2025-03-04","19:27:04",""
"1573841","14.586","0.005","7.0535","0.0014","3.4512","0.0006","90","","93.132","0.015","90","","354.54","0.15","273.15","","273.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Furil, phase II","Di(furan-2-yl)ethanedione","","- C10 H6 O4 -","- C10 H6 O4 -","- C20 H12 O8 -","2","0.5","","Dunning, Samuel G.; Hari, Anirudh; Zhu, Li; Chen, Bo; Cody, George D.; Romi, Sebastiano; Zhang, Dongzhou; Strobel, Timothy A.","Double-core nanothread formation from α-furil <i>via</i> a pressure-induced planarization pathway.","Chemical science","2025","16","9","4144","4151","10.1039/d4sc07412b","","","0.434","Synchrotron","","0.2663","0.155","","","0.3424","0.388","","","","","","1.13","","","","has coordinates","298147","2025-03-04","19:27:05",""
"1573842","3.313","0.003","6.957","0.007","14.228","0.016","90","","94.48","0.03","90","","326.9","0.6","273","2","273.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Furil, phase II","Di(furan-2-yl)ethanedione","","- C10 H6 O4 -","- C10 H6 O4 -","- C20 H12 O8 -","2","0.5","","Dunning, Samuel G.; Hari, Anirudh; Zhu, Li; Chen, Bo; Cody, George D.; Romi, Sebastiano; Zhang, Dongzhou; Strobel, Timothy A.","Double-core nanothread formation from α-furil <i>via</i> a pressure-induced planarization pathway.","Chemical science","2025","16","9","4144","4151","10.1039/d4sc07412b","","","0.434","synchrotron","","0.5162","0.4104","","","0.6897","0.7248","","","","","","2.297","","","","has coordinates","301209","2025-07-10","11:18:53",""
"1573843","9.2209","0.0007","8.3046","0.0006","19.3943","0.0015","90","","90","","90","","1485.14","0.19","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Hg3 N2 O16 Te4 -","- Hg3 N2 O16 Te4 -","- Hg12 N8 O64 Te16 -","4","0.5","","Tang, Ru-Ling; Lv, Yi-Lei; Ma, Liang; Miao, Bing-Wei; Liu, Wenlong; Guo, Sheng-Ping","""All-four-in-one"": a novel mercury tellurite-nitrate Hg<sub>3</sub>(TeO<sub>3</sub>)(Te<sub>3</sub>O<sub>7</sub>)(NO<sub>3</sub>)<sub>2</sub> exhibiting exceptional optical anisotropy.","Chemical science","2025","16","11","4749","4754","10.1039/d4sc08166h","","","0.71073","MoKα","","0.0413","0.0318","","","0.0561","0.0586","","","","","","1.12","","","","has coordinates,has disorder","298813","2025-04-05","02:26:03",""
"1573844","7.2202","0.0005","13.9741","0.0008","9.0021","0.0006","90","","111.683","0.002","90","","844.01","0.1","173","","173","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H20 O7 -","- C18 H20 O7 -","- C36 H40 O14 -","2","1","","Paciorek, Jan; Steinborn, Christian; Gordiy, Igor; Plangger, Immanuel; Schmutzler, Dirk; Barber, David M.; Wurst, Klaus; Riniker, Sereina; Magauer, Thomas","Asymmetric total synthesis of glauconic and glaucanic acid.","Chemical science","2025","16","9","4159","4166","10.1039/d4sc08332f","","","0.71073","MoKα","","0.0274","0.0255","","","0.0657","0.0669","","","","","","1.044","","","","has coordinates","298146","2025-03-04","19:26:55",""
"1573846","12.3872","0.0019","15.6834","0.0019","16.433","0.003","90.934","0.007","111.881","0.007","110.488","0.005","2735.3","0.8","180","","180","","","","","","","","","5","P -1","-P 1","2","","","","- C57 H68 Br Cu N4 -","- C57 H68 Br Cu N4 -","- C114 H136 Br2 Cu2 N8 -","2","1","","Zhou, Jiajing; Zhang, Zhiqiang; Cao, Yan; Xie, Weilong","Multiligand-enabled, copper-catalyzed Hiyama coupling of arylsilanes with unactivated secondary alkyl halides: reaction development and mechanistic insights.","Chemical science","2025","16","12","5109","5117","10.1039/d4sc07441f","","","0.71073","MoKα","","0.083","0.0713","","","0.2151","0.2258","","","","","","1.115","","","","has coordinates,has disorder","298823","2025-04-05","02:29:38",""
"1573847","6.81856","0.00004","18.79523","0.00011","32.85532","0.00019","90","","90","","90","","4210.62","0.04","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H21 B3 N2 O3 -","- C23 H21 B3 N2 O3 -","- C184 H168 B24 N16 O24 -","8","1","","Procter, Richard J.; Alamillo-Ferrer, Carla; Shabbir, Usman; Britton, Phyllida; Bučar, Dejan-Krešimir; Dumon, Alexandre S.; Rzepa, Henry S.; Burés, Jordi; Whiting, Andrew; Sheppard, Tom D.","Borate-catalysed direct amidation reactions of coordinating substrates.","Chemical science","2025","16","11","4718","4724","10.1039/d4sc07744j","","x-ray","1.54184","CuKα","","0.0333","0.0306","","","0.0804","0.0824","","","","","","1.036","","","","has coordinates","298811","2025-04-05","02:25:49",""
"1573849","7.2257","0.0004","13.4248","0.0008","24.382","0.0014","90","","90","","90","","2365.1","0.2","303","","303","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C10 H11 N3 O3 S -","- C10 H11 N3 O3 S -","- C80 H88 N24 O24 S8 -","8","1","","Lu, Jiachen; Ok, Kang Min","Synergistic engineering of ultraviolet metal-free crystals with exceptional birefringence <i>via</i> pyridine-derived dimers.","Chemical science","2025","16","11","4703","4709","10.1039/d5sc00112a","","","0.71073","MoKα","","0.1243","0.0779","","","0.1284","0.1474","","","","","","1.209","","","","has coordinates","298806","2025-04-05","02:24:25",""
"1573850","17.5972","0.0005","7.0455","0.0002","12.8268","0.0003","90","","90.881","0.001","90","","1590.09","0.07","303","","303","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N3 O5 S -","- C15 H15 N3 O5 S -","- C60 H60 N12 O20 S4 -","4","1","","Lu, Jiachen; Ok, Kang Min","Synergistic engineering of ultraviolet metal-free crystals with exceptional birefringence <i>via</i> pyridine-derived dimers.","Chemical science","2025","16","11","4703","4709","10.1039/d5sc00112a","","","0.71073","MoKα","","0.0513","0.0404","","","0.09","0.0983","","","","","","1.114","","","","has coordinates","298806","2025-04-05","02:24:25",""
"1573851","26.4049","0.0005","18.7396","0.0002","27.4993","0.0005","90","","118.57","0.003","90","","11950.2","0.5","99.98","0.19","99.98","0.19","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C122 H170 Mg4 N8 P8 -","- C122 H170 Mg4 N8 P8 -","- C488 H680 Mg16 N32 P32 -","4","1","","Thum, Stefan; Townrow, Oliver P. E.; Langer, Jens; Harder, Sjoerd","Tuning the selectivity of P<sub>4</sub> reduction at alkaline-earth metal centres.","Chemical science","2025","16","10","4528","4536","10.1039/d4sc08502g","","x-ray","1.54184","CuKα","","0.058","0.0441","","","0.1072","0.1163","","","","","","1.007","","","","has coordinates,has disorder","298796","2025-04-05","02:21:42",""
"1573852","26.1211","0.0005","21.8425","0.0004","12.8482","0.0003","90","","90","","90","","7330.5","0.3","100","0.2","100","0.2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C74 H114 Mg2 N4 P4 -","- C74 H114 Mg2 N4 P4 -","- C296 H456 Mg8 N16 P16 -","4","0.5","","Thum, Stefan; Townrow, Oliver P. E.; Langer, Jens; Harder, Sjoerd","Tuning the selectivity of P<sub>4</sub> reduction at alkaline-earth metal centres.","Chemical science","2025","16","10","4528","4536","10.1039/d4sc08502g","","x-ray","1.54184","CuKα","","0.0881","0.0756","","","0.2342","0.2547","","","","","","1.06","","","","has coordinates,has disorder","298796","2025-04-05","02:21:43",""
"1573853","13.4588","0.0002","23.0603","0.0003","15.7858","0.0002","90","","111.861","0.0018","90","","4547.04","0.12","99.98","0.12","99.98","0.12","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90 H154 Ca2 N4 O4 P4 -","- C90 H154 Ca2 N4 O4 P4 -","- C180 H308 Ca4 N8 O8 P8 -","2","0.5","","Thum, Stefan; Townrow, Oliver P. E.; Langer, Jens; Harder, Sjoerd","Tuning the selectivity of P<sub>4</sub> reduction at alkaline-earth metal centres.","Chemical science","2025","16","10","4528","4536","10.1039/d4sc08502g","","x-ray","1.54184","CuKα","","0.0622","0.0584","","","0.1529","0.1569","","","","","","1.067","","","","has coordinates,has disorder","298796","2025-04-05","02:21:43",""
"1573854","12.7375","0.0002","16.5295","0.0003","21.8122","0.0003","106.025","0.002","90.612","0.001","98.438","0.002","4359.87","0.13","99.97","0.16","99.97","0.16","","","","","","","","5","P -1","-P 1","2","","","","- C97 H146 B2 Ca2 N4 -","- C97 H146 B2 Ca2 N4 -","- C194 H292 B4 Ca4 N8 -","2","1","","Thum, Stefan; Townrow, Oliver P. E.; Langer, Jens; Harder, Sjoerd","Tuning the selectivity of P<sub>4</sub> reduction at alkaline-earth metal centres.","Chemical science","2025","16","10","4528","4536","10.1039/d4sc08502g","","x-ray","1.54184","CuKα","","0.0555","0.0468","","","0.1191","0.1263","","","","","","1.033","","","","has coordinates,has disorder","298796","2025-04-05","02:21:43",""
"1573855","20.4699","0.0006","20.4809","0.0005","21.4594","0.0005","70.084","0.002","81.755","0.002","64.564","0.003","7638.6","0.4","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C131 H211 Ca3 N6 O4 P7 -","- C131 H211 Ca3 N6 O4 P7 -","- C262 H422 Ca6 N12 O8 P14 -","2","1","","Thum, Stefan; Townrow, Oliver P. E.; Langer, Jens; Harder, Sjoerd","Tuning the selectivity of P<sub>4</sub> reduction at alkaline-earth metal centres.","Chemical science","2025","16","10","4528","4536","10.1039/d4sc08502g","","x-ray","1.54184","CuKα","","0.0424","0.0369","","","0.0955","0.0991","","","","","","1.052","","","","has coordinates,has disorder","298796","2025-04-05","02:21:43",""
"1573868","8.305","0.0015","8.8068","0.0017","19.111","0.004","97.232","0.007","96.934","0.007","95.16","0.007","1368.7","0.5","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H10 Cl10 N -","- C25 H10 Cl10 N -","- C50 H20 Cl20 N2 -","2","1","","Gao, Shengxiang; Wu, Chunxiao; Zhang, Ming; Li, Feng","Stable luminescent diphenylamine biphenylmethyl radicals with α-type D<sub>0</sub> → D<sub>1</sub> transition and antiferromagnetic properties.","Chemical science","2025","16","11","4668","4675","10.1039/d4sc08026b","","","0.71073","MoKα","","0.0676","0.0521","","","0.1316","0.1431","","","","","","1.137","","","","has coordinates","298808","2025-04-05","02:25:04",""
"1573869","16.4717","0.0016","8.3566","0.0009","17.0028","0.0018","90","","103.423","0.004","90","","2276.5","0.4","125","2","125","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2PhN-BTM","","- C25 H14 Cl6 N -","- C25 H14 Cl6 N -","- C100 H56 Cl24 N4 -","4","1","","Gao, Shengxiang; Wu, Chunxiao; Zhang, Ming; Li, Feng","Stable luminescent diphenylamine biphenylmethyl radicals with α-type D<sub>0</sub> → D<sub>1</sub> transition and antiferromagnetic properties.","Chemical science","2025","16","11","4668","4675","10.1039/d4sc08026b","","","0.71073","MoKα","","0.0283","0.0248","","","0.0577","0.0595","","","","","","1.056","","","","has coordinates","298808","2025-04-05","02:25:04",""
"1573870","16.342","0.003","6.8717","0.0008","10.284","0.003","90","","90","","90","","1154.9","0.4","111","2","111.15","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C7 H2.4 O6.2 V -","- C7 O5 V -","- C28 O20 V4 -","4","0.25","","Smoljan, Courtney S.; Formalik, Filip; Barsoum, Michael L.; Fahy, Kira M.; Gaidimas, Madeleine A.; Son, Florencia A.; Xie, Haomiao; Idrees, Karam B.; Farha, Omar K.; Snurr, Randall Q.","Exceeding flexpectations: a combined experimental and computational investigation of structural flexibility in 3-dimensional linker-based metal-organic frameworks.","Chemical science","2025","16","11","4831","4841","10.1039/d4sc06360k","","","1.54184","CuKα","","0.1523","0.1448","","","0.3655","0.3719","","","","","","1.594","","","","has coordinates,has disorder","298812","2025-04-05","02:25:56",""
"1573879","8.8358","0.0001","9.0954","0.0002","14.2686","0.0002","94.49","0.001","97.731","0.001","97.231","0.001","1121.94","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H68 N2 Ni S4 -","- C48 H68 N2 Ni S4 -","- C48 H68 N2 Ni S4 -","1","0.5","","Luff, Martin S.; Filipovic, Tin M.; Corsei, Celine S.; Oppel, Kai; Krummenacher, Ivo; Bertermann, Rüdiger; Finze, Maik; Braunschweig, Holger; Radius, Udo","Azolium-2-dithiocarboxylates as redox active ligands in nickel chemistry.","Chemical science","2025","16","12","5142","5154","10.1039/d4sc08449g","","","1.54184","CuKα","","0.0304","0.0299","","","0.0804","0.0808","","","","","","1.037","","","","has coordinates","298820","2025-04-05","02:28:42",""
"1573880","14.5441","0.0002","6.8348","0.0001","13.3132","0.0002","90","","90","","90","","1323.41","0.03","201","2","201","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H12 Cl2 N2 S2 -","- C11 H12 Cl2 N2 S2 -","- C44 H48 Cl8 N8 S8 -","4","0.5","","Luff, Martin S.; Filipovic, Tin M.; Corsei, Celine S.; Oppel, Kai; Krummenacher, Ivo; Bertermann, Rüdiger; Finze, Maik; Braunschweig, Holger; Radius, Udo","Azolium-2-dithiocarboxylates as redox active ligands in nickel chemistry.","Chemical science","2025","16","12","5142","5154","10.1039/d4sc08449g","","","1.54184","CuKα","","0.0572","0.0564","","","0.1787","0.1798","","","","","","1.165","","","","has coordinates","298820","2025-04-05","02:28:42",""
"1573881","10.3602","0.0001","22.0224","0.0002","13.6369","0.0001","90","","91.721","0.001","90","","3109.94","0.05","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H88 N4 Ni O2 S4 -","- C64 H88 N4 Ni O2 S4 -","- C128 H176 N8 Ni2 O4 S8 -","2","0.5","","Luff, Martin S.; Filipovic, Tin M.; Corsei, Celine S.; Oppel, Kai; Krummenacher, Ivo; Bertermann, Rüdiger; Finze, Maik; Braunschweig, Holger; Radius, Udo","Azolium-2-dithiocarboxylates as redox active ligands in nickel chemistry.","Chemical science","2025","16","12","5142","5154","10.1039/d4sc08449g","","","1.54184","CuKα","","0.0333","0.0304","","","0.0768","0.0785","","","","","","1.072","","","","has coordinates","298820","2025-04-05","02:28:42",""
"1573882","14.4786","0.0001","13.8664","0.0001","19.8298","0.0001","90","","94.856","0.001","90","","3966.86","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H63 N5 Ni S2 -","- C39 H63 N5 Ni S2 -","- C156 H252 N20 Ni4 S8 -","4","1","","Luff, Martin S.; Filipovic, Tin M.; Corsei, Celine S.; Oppel, Kai; Krummenacher, Ivo; Bertermann, Rüdiger; Finze, Maik; Braunschweig, Holger; Radius, Udo","Azolium-2-dithiocarboxylates as redox active ligands in nickel chemistry.","Chemical science","2025","16","12","5142","5154","10.1039/d4sc08449g","","","1.54184","CuKα","","0.0346","0.0321","","","0.0818","0.0833","","","","","","1.054","","","","has coordinates","298820","2025-04-05","02:28:42",""
"1573883","11.8352","0.0001","8.4874","0.0001","15.0477","0.0002","90","","107.19","0.001","90","","1444.02","0.03","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 N2 S2 -","- C14 H18 N2 S2 -","- C56 H72 N8 S8 -","4","1","","Luff, Martin S.; Filipovic, Tin M.; Corsei, Celine S.; Oppel, Kai; Krummenacher, Ivo; Bertermann, Rüdiger; Finze, Maik; Braunschweig, Holger; Radius, Udo","Azolium-2-dithiocarboxylates as redox active ligands in nickel chemistry.","Chemical science","2025","16","12","5142","5154","10.1039/d4sc08449g","","","1.54184","CuKα","","0.0364","0.035","","","0.0943","0.095","","","","","","1.139","","","","has coordinates","298820","2025-04-05","02:28:42",""
"1573884","12.6464","0.0002","14.4357","0.0002","24.9817","0.0003","90","","90","","90","","4560.65","0.11","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H66 N6 Ni O S2 -","- C44 H66 N6 Ni O S2 -","- C176 H264 N24 Ni4 O4 S8 -","4","1","","Luff, Martin S.; Filipovic, Tin M.; Corsei, Celine S.; Oppel, Kai; Krummenacher, Ivo; Bertermann, Rüdiger; Finze, Maik; Braunschweig, Holger; Radius, Udo","Azolium-2-dithiocarboxylates as redox active ligands in nickel chemistry.","Chemical science","2025","16","12","5142","5154","10.1039/d4sc08449g","","","1.54184","CuKα","","0.0351","0.0304","","","0.0723","0.0742","","","","","","1.048","","","","has coordinates","298820","2025-04-05","02:28:42",""
"1573885","16.3996","0.0001","12.5018","0.0001","14.1711","0.0001","90","","101.833","0.001","90","","2843.68","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H66 N4 Ni S4 -","- C62 H66 N4 Ni S4 -","- C124 H132 N8 Ni2 S8 -","2","0.5","","Luff, Martin S.; Filipovic, Tin M.; Corsei, Celine S.; Oppel, Kai; Krummenacher, Ivo; Bertermann, Rüdiger; Finze, Maik; Braunschweig, Holger; Radius, Udo","Azolium-2-dithiocarboxylates as redox active ligands in nickel chemistry.","Chemical science","2025","16","12","5142","5154","10.1039/d4sc08449g","","","1.54184","CuKα","","0.0295","0.0288","","","0.0764","0.0768","","","","","","1.041","","","","has coordinates","298820","2025-04-05","02:28:42",""
"1573886","12.2463","0.0002","13.0402","0.0002","18.3208","0.0003","84.384","0.001","76.105","0.001","64.184","0.001","2556.58","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H74 N6 Ni S2 -","- C52 H74 N6 Ni S2 -","- C104 H148 N12 Ni2 S4 -","2","1","","Luff, Martin S.; Filipovic, Tin M.; Corsei, Celine S.; Oppel, Kai; Krummenacher, Ivo; Bertermann, Rüdiger; Finze, Maik; Braunschweig, Holger; Radius, Udo","Azolium-2-dithiocarboxylates as redox active ligands in nickel chemistry.","Chemical science","2025","16","12","5142","5154","10.1039/d4sc08449g","","","1.54184","CuKα","","0.0344","0.0328","","","0.0857","0.0867","","","","","","1.085","","","","has coordinates","298820","2025-04-05","02:28:42",""
"1573887","41.9148","0.0002","41.9148","0.0002","19.7374","0.0001","90","","90","","120","","30030","0.3","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C116 H176 N24 Ni4 O S8 -","- C116 H176 N24 Ni4 O S8 -","- C1044 H1584 N216 Ni36 O9 S72 -","9","0.5","","Luff, Martin S.; Filipovic, Tin M.; Corsei, Celine S.; Oppel, Kai; Krummenacher, Ivo; Bertermann, Rüdiger; Finze, Maik; Braunschweig, Holger; Radius, Udo","Azolium-2-dithiocarboxylates as redox active ligands in nickel chemistry.","Chemical science","2025","16","12","5142","5154","10.1039/d4sc08449g","","","1.54184","CuKα","","0.0507","0.049","","","0.1418","0.1432","","","","","","1.038","","","","has coordinates,has disorder","298820","2025-04-05","02:28:42",""
"1573888","12.2516","0.0001","19.8503","0.0001","27.2496","0.0001","90","","90","","90","","6627.05","0.07","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C68 H96 K N4 Ni O3 S4 -","- C68 H96 K N4 Ni O3 S4 -","- C272 H384 K4 N16 Ni4 O12 S16 -","4","1","","Luff, Martin S.; Filipovic, Tin M.; Corsei, Celine S.; Oppel, Kai; Krummenacher, Ivo; Bertermann, Rüdiger; Finze, Maik; Braunschweig, Holger; Radius, Udo","Azolium-2-dithiocarboxylates as redox active ligands in nickel chemistry.","Chemical science","2025","16","12","5142","5154","10.1039/d4sc08449g","","","1.54184","CuKα","","0.0336","0.0327","","","0.0908","0.0914","","","","","","1.088","","","","has coordinates,has disorder","298820","2025-04-05","02:28:42",""
"1573889","11.042","","30.096","0.0001","34.2823","0.0001","90","","96.44","","90","","11320.8","0.05","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H86 K N2 Ni O3 S4 -","- C54 H86 K N2 Ni O3 S4 -","- C432 H688 K8 N16 Ni8 O24 S32 -","8","2","","Luff, Martin S.; Filipovic, Tin M.; Corsei, Celine S.; Oppel, Kai; Krummenacher, Ivo; Bertermann, Rüdiger; Finze, Maik; Braunschweig, Holger; Radius, Udo","Azolium-2-dithiocarboxylates as redox active ligands in nickel chemistry.","Chemical science","2025","16","12","5142","5154","10.1039/d4sc08449g","","","1.54184","CuKα","","0.048","0.0462","","","0.1188","0.1202","","","","","","1.048","","","","has coordinates,has disorder","298820","2025-04-05","02:28:42",""
"1573890","17.1664","0.0007","17.1664","0.0007","15.3325","0.0017","90","","90","","90","","4518.3","0.6","293","","293","","","","","","","","","7","P 4 n c","P 4 -2n","104","","","","- C136 H150 Al8 Dy2 N16 Na2 O67 -","- C136 H150 Al8 Dy2 N16 Na2 O67 -","- C136 H150 Al8 Dy2 N16 Na2 O67 -","1","0.125","","Yan, Han; Calado, Claudia M. S.; Wang, Hao; Murugesu, Muralee; Sun, Wen-Bin","A novel Ln<sup>3+</sup>/Al<sup>3+</sup> metallacrown multifunctional material for latent fingerprint detection, luminescent thermometers and luminescent sensors.","Chemical science","2025","16","11","4821","4830","10.1039/d4sc08549c","","x-ray","0.71073","MoKα","","0.0749","0.0526","","","0.1416","0.1531","","","","","","1.115","","","","has coordinates,has disorder","298810","2025-04-05","02:25:42",""
"1573891","9.4208","0.0003","9.893","0.0003","9.9488","0.0003","87.466","0.002","62.402","0.002","89.609","0.002","820.83","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H26 F8 N2 O2 -","- C38 H26 F8 N2 O2 -","- C38 H26 F8 N2 O2 -","1","0.5","","Górski, Krzysztof; Shelton, Steve; Lingagouder, Jaijanarthanan; Data, Przemyslaw; Jacquemin, Denis; Gryko, Daniel T.","1,4-Dihydropyrrolo[3,2-<i>b</i>]pyrrole modified with dibenzoxazepine: a highly efficient core for charge-transfer-based OLED emitters.","Chemical science","2025","16","12","5223","5233","10.1039/d4sc04272g","","","1.54178","CuKα","","0.1118","0.0549","","","0.1297","0.1549","","","","","","1.058","","","","has coordinates","298819","2025-04-05","02:28:08",""
"1573892","11.6219","0.0002","13.9013","0.0002","8.4102","0.0002","90","","90","","90","","1358.75","0.04","150","0.1","150","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C15 H16 N2 S -","- C15 H16 N2 S -","- C60 H64 N8 S4 -","4","0.5","","Yu, Yongjiang; Chen, Wang; Hu, Rongrong; Tang, Ben Zhong","The base-free multicomponent polymerization of elemental sulfur, difluoromethylene phosphobetaine and amines toward electron-deficient aromatic polythioureas","Polymer Chemistry","2025","16","13","1509","1518","10.1039/D4PY01387E","","x-ray","1.54184","CuKα","","0.0352","0.034","","","0.0927","0.0937","","","","","","1.058","","","","has coordinates","299153","2025-04-05","04:25:28",""
"1573893","8.7466","0.0001","11.0403","0.0002","22.1225","0.0003","90","","93.972","0.001","90","","2131.13","0.05","301.31","0.1","301.31","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C17 H22 N2 O5 S4 -","- C17 H22 N2 O5 S4 -","- C68 H88 N8 O20 S16 -","4","0.5","","Yu, Yongjiang; Chen, Wang; Hu, Rongrong; Tang, Ben Zhong","The base-free multicomponent polymerization of elemental sulfur, difluoromethylene phosphobetaine and amines toward electron-deficient aromatic polythioureas","Polymer Chemistry","2025","16","13","1509","1518","10.1039/D4PY01387E","","x-ray","1.54184","CuKα","","0.0414","0.0398","","","0.1174","0.1191","","","","","","1.096","","","","has coordinates,has disorder","299153","2025-04-05","04:25:29",""
"1573894","14.27","0.0003","7.5957","0.0002","14.4949","0.0003","90","","102.715","0.002","90","","1532.58","0.06","302.36","0.1","302.36","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 F6 N2 S -","- C15 H10 F6 N2 S -","- C60 H40 F24 N8 S4 -","4","1","","Yu, Yongjiang; Chen, Wang; Hu, Rongrong; Tang, Ben Zhong","The base-free multicomponent polymerization of elemental sulfur, difluoromethylene phosphobetaine and amines toward electron-deficient aromatic polythioureas","Polymer Chemistry","2025","16","13","1509","1518","10.1039/D4PY01387E","","x-ray","1.54184","CuKα","","0.0638","0.0602","","","0.176","0.1795","","","","","","1.089","","","","has coordinates","299153","2025-04-05","04:25:29",""
"1573895","24.301","0.0009","13.2694","0.0004","8.6371","0.0003","90","","90","","90","","2785.12","0.16","300.55","0.1","300.55","0.1","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C15 H10 N4 S -","- C15 H10 N4 S -","- C120 H80 N32 S8 -","8","0.5","","Yu, Yongjiang; Chen, Wang; Hu, Rongrong; Tang, Ben Zhong","The base-free multicomponent polymerization of elemental sulfur, difluoromethylene phosphobetaine and amines toward electron-deficient aromatic polythioureas","Polymer Chemistry","2025","16","13","1509","1518","10.1039/D4PY01387E","","x-ray","1.54184","CuKα","","0.0651","0.0644","","","0.1885","0.1902","","","","","","1.082","","","","has coordinates","299153","2025-04-05","04:25:29",""
"1573896","6.9039","0.0002","10.665","0.0003","12.8313","0.0006","69.245","0.004","89.785","0.003","83.28","0.002","876.66","0.06","149.99","0.1","150","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N4 O5 S -","- C17 H18 N4 O5 S -","- C34 H36 N8 O10 S2 -","2","1","","Yu, Yongjiang; Chen, Wang; Hu, Rongrong; Tang, Ben Zhong","The base-free multicomponent polymerization of elemental sulfur, difluoromethylene phosphobetaine and amines toward electron-deficient aromatic polythioureas","Polymer Chemistry","2025","16","13","1509","1518","10.1039/D4PY01387E","","","1.54184","CuKα","","0.0377","0.0364","","","0.1016","0.1028","","","","","","1.077","","","","has coordinates","299153","2025-04-05","04:25:29",""
"1573897","10.778","0.0002","9.3346","0.0001","30.4546","0.0004","90","","90","","90","","3063.99","0.08","100.02","0.1","100.02","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H20 N2 S -","- C17 H20 N2 S -","- C136 H160 N16 S8 -","8","1","","Yu, Yongjiang; Chen, Wang; Hu, Rongrong; Tang, Ben Zhong","The base-free multicomponent polymerization of elemental sulfur, difluoromethylene phosphobetaine and amines toward electron-deficient aromatic polythioureas","Polymer Chemistry","2025","16","13","1509","1518","10.1039/D4PY01387E","","x-ray","1.54184","CuKα","","0.0387","0.0353","","","0.0953","0.098","","","","","","1.072","","","","has coordinates","299153","2025-04-05","04:25:29",""
"1573902","9.3309","0.0004","12.6622","0.0005","14.2997","0.0006","72.396","0.001","72.255","0.001","82.124","0.002","1531.89","0.11","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H72 Au2 N4 -","- C56 H72 Au2 N4 -","- C56 H72 Au2 N4 -","1","0.5","","Cayuela-Castillo, Juan; Fernández-de-Córdova, Francisco J; See, Matthew S.; Fernández, Israel; Ríos, Pablo","Stepwise alkyne insertion in Au(i) acetylides: influence of the nuclearity.","Chemical science","2025","16","11","4684","4694","10.1039/d4sc08227c","","","0.71073","MoKα","","0.0271","0.0211","","","0.045","0.0477","","","","","","1.07","","","","has coordinates","298809","2025-04-05","02:25:33",""
"1573903","10.7024","0.0006","27.593","0.0015","12.0247","0.0006","90","","92.657","0.002","90","","3547.2","0.3","194","","194","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32.5 H42 Au N4 S -","- C32.5 H42 Au N4 S -","- C130 H168 Au4 N16 S4 -","4","1","","Cayuela-Castillo, Juan; Fernández-de-Córdova, Francisco J; See, Matthew S.; Fernández, Israel; Ríos, Pablo","Stepwise alkyne insertion in Au(i) acetylides: influence of the nuclearity.","Chemical science","2025","16","11","4684","4694","10.1039/d4sc08227c","","","0.71073","MoKα","","0.0386","0.032","","","0.0719","0.0748","","","","","","1.193","","","","has coordinates,has disorder","298809","2025-04-05","02:25:33",""
"1573904","12.7986","0.0005","15.2227","0.0005","18.1384","0.0007","90","","101.827","0.001","90","","3458.9","0.2","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H108 Au2 N4 O4 -","- C72 H108 Au2 N4 O4 -","- C144 H216 Au4 N8 O8 -","2","0.5","","Cayuela-Castillo, Juan; Fernández-de-Córdova, Francisco J; See, Matthew S.; Fernández, Israel; Ríos, Pablo","Stepwise alkyne insertion in Au(i) acetylides: influence of the nuclearity.","Chemical science","2025","16","11","4684","4694","10.1039/d4sc08227c","","","0.71073","MoKα","","0.0318","0.0232","","","0.0477","0.0517","","","","","","1.063","","","","has coordinates,has disorder","298809","2025-04-05","02:25:33",""
"1573905","9.0241","0.0005","12.0583","0.0007","15.9337","0.0008","80.824","0.002","89.441","0.002","78.132","0.002","1674.58","0.16","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H45 Au N2 Si -","- C32 H45 Au N2 Si -","- C64 H90 Au2 N4 Si2 -","2","1","","Cayuela-Castillo, Juan; Fernández-de-Córdova, Francisco J; See, Matthew S.; Fernández, Israel; Ríos, Pablo","Stepwise alkyne insertion in Au(i) acetylides: influence of the nuclearity.","Chemical science","2025","16","11","4684","4694","10.1039/d4sc08227c","","","0.71073","MoKα","","0.0274","0.0208","","","0.0457","0.05","","","","","","1.112","","","","has coordinates,has disorder","298809","2025-04-05","02:25:33",""
"1573906","18.4242","0.0009","13.8027","0.0007","18.9461","0.001","90","","109.094","0.002","90","","4553","0.4","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H55 Au N2 O4 -","- C48 H55 Au N2 O4 -","- C192 H220 Au4 N8 O16 -","4","1","","Cayuela-Castillo, Juan; Fernández-de-Córdova, Francisco J; See, Matthew S.; Fernández, Israel; Ríos, Pablo","Stepwise alkyne insertion in Au(i) acetylides: influence of the nuclearity.","Chemical science","2025","16","11","4684","4694","10.1039/d4sc08227c","","","0.71073","MoKα","","0.0558","0.0321","","","0.0602","0.0709","","","","","","1.057","","","","has coordinates","298809","2025-04-05","02:25:33",""
"1573907","13.4415","0.0013","29.354","0.003","36.128","0.004","93.781","0.005","94.261","0.004","100.703","0.004","13922","3","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C150 H178 Au4 N8 O4 -","- C150 H178 Au4 N8 O4 -","- C600 H712 Au16 N32 O16 -","4","2","","Cayuela-Castillo, Juan; Fernández-de-Córdova, Francisco J; See, Matthew S.; Fernández, Israel; Ríos, Pablo","Stepwise alkyne insertion in Au(i) acetylides: influence of the nuclearity.","Chemical science","2025","16","11","4684","4694","10.1039/d4sc08227c","","x-ray","0.71073","MoKα","","0.0993","0.0864","","","0.1893","0.196","","","","","","1.141","","","","has coordinates,has disorder","298809","2025-04-05","02:25:33",""
"1573908","12.7366","0.0005","15.5654","0.0006","19.9574","0.0007","90","","92.718","0.002","90","","3952.1","0.3","193","","193","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H51 Au N2 O4 Si -","- C38 H51 Au N2 O4 Si -","- C152 H204 Au4 N8 O16 Si4 -","4","1","","Cayuela-Castillo, Juan; Fernández-de-Córdova, Francisco J; See, Matthew S.; Fernández, Israel; Ríos, Pablo","Stepwise alkyne insertion in Au(i) acetylides: influence of the nuclearity.","Chemical science","2025","16","11","4684","4694","10.1039/d4sc08227c","","","0.71073","MoKα","","0.0339","0.0217","","","0.0462","0.0512","","","","","","1.07","","","","has coordinates","298809","2025-04-05","02:25:33",""
"1573909","36.539","0.002","12.2149","0.0007","29.581","0.0016","90","","90","","90","","13202.6","1.3","193","","193","","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C62 H78 Au2 N4 O4 -","- C62 H78 Au2 N4 O4 -","- C496 H624 Au16 N32 O32 -","8","1","","Cayuela-Castillo, Juan; Fernández-de-Córdova, Francisco J; See, Matthew S.; Fernández, Israel; Ríos, Pablo","Stepwise alkyne insertion in Au(i) acetylides: influence of the nuclearity.","Chemical science","2025","16","11","4684","4694","10.1039/d4sc08227c","","","0.71073","MoKα","","0.0656","0.0542","","","0.106","0.1112","","","","","","1.245","","","","has coordinates","298809","2025-04-05","02:25:33",""
"1573910","16.3416","0.0006","20.8456","0.0008","30.6473","0.0012","90","","100.38","0.002","90","","10269.2","0.7","193","","193","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C84 H108 Au3 F3 N6 O3 S -","- C84 H108 Au3 F3 N6 O3 S -","- C336 H432 Au12 F12 N24 O12 S4 -","4","1","","Cayuela-Castillo, Juan; Fernández-de-Córdova, Francisco J; See, Matthew S.; Fernández, Israel; Ríos, Pablo","Stepwise alkyne insertion in Au(i) acetylides: influence of the nuclearity.","Chemical science","2025","16","11","4684","4694","10.1039/d4sc08227c","","","0.71073","MoKα","","0.0503","0.0312","","","0.0657","0.0768","","","","","","1.067","","","","has coordinates,has disorder","298809","2025-04-05","02:25:33",""
"1573911","15.203","0.003","14.457","0.002","7.3056","0.0014","90","","95.595","0.007","90","","1598","0.5","293.15","","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl2 N3 O2 S -","- C15 H13 Cl2 N3 O2 S -","- C60 H52 Cl8 N12 O8 S4 -","4","1","","Datta, Paramita; Maji, Subir; Biswas, Prativa; Jain, Divya; Dey, Partha Protim; Mandal, Swadhin K.","An organophotocatalytic redox-neutral strategy for late-stage drug functionalization with SO<sub>2</sub> gas.","Chemical science","2025","16","12","5064","5075","10.1039/d4sc08380f","","","0.71073","MoKα","","0.0448","0.0421","","","0.117","0.1194","","","","","","1.046","","","","has coordinates","298821","2025-04-05","02:29:20",""
"1573912","9.744","0.003","8.942","0.003","12.444","0.004","90","","99.429","0.011","90","","1069.6","0.6","293.15","","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N O2 S -","- C11 H13 N O2 S -","- C44 H52 N4 O8 S4 -","4","1","","Datta, Paramita; Maji, Subir; Biswas, Prativa; Jain, Divya; Dey, Partha Protim; Mandal, Swadhin K.","An organophotocatalytic redox-neutral strategy for late-stage drug functionalization with SO<sub>2</sub> gas.","Chemical science","2025","16","12","5064","5075","10.1039/d4sc08380f","","","0.71073","MoKα","","0.0401","0.0383","","","0.1009","0.1029","","","","","","1.052","","","","has coordinates","298821","2025-04-05","02:29:20",""
"1573913","10.87","0.002","7.36","0.01","24.2055","0.0017","90","","102.98","","90","","1887","3","293.15","","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 B N2 O4 S -","- C19 H21 B N2 O4 S -","- C76 H84 B4 N8 O16 S4 -","4","1","","Datta, Paramita; Maji, Subir; Biswas, Prativa; Jain, Divya; Dey, Partha Protim; Mandal, Swadhin K.","An organophotocatalytic redox-neutral strategy for late-stage drug functionalization with SO<sub>2</sub> gas.","Chemical science","2025","16","12","5064","5075","10.1039/d4sc08380f","","","0.71073","MoKα","","0.0779","0.0664","","","0.1704","0.1811","","","","","","1.079","","","","has coordinates","298821","2025-04-05","02:29:20",""
"1573914","6.1887","0.0002","15.3738","0.0006","21.416","0.0009","90","","90","","90","","2037.6","0.13","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 O4 S -","- C24 H26 O4 S -","- C96 H104 O16 S4 -","4","1","","Datta, Paramita; Maji, Subir; Biswas, Prativa; Jain, Divya; Dey, Partha Protim; Mandal, Swadhin K.","An organophotocatalytic redox-neutral strategy for late-stage drug functionalization with SO<sub>2</sub> gas.","Chemical science","2025","16","12","5064","5075","10.1039/d4sc08380f","","","0.71073","MoKα","","0.0287","0.0272","","","0.0678","0.0689","","","","","","1.047","","","","has coordinates","298821","2025-04-05","02:29:20",""
"1573915","8.5144","0.0005","11.3398","0.0008","13.7819","0.0009","91.78","0.002","101.702","0.002","90.986","0.002","1302","0.15","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 O5 S -","- C14 H12 O5 S -","- C56 H48 O20 S4 -","4","2","","Datta, Paramita; Maji, Subir; Biswas, Prativa; Jain, Divya; Dey, Partha Protim; Mandal, Swadhin K.","An organophotocatalytic redox-neutral strategy for late-stage drug functionalization with SO<sub>2</sub> gas.","Chemical science","2025","16","12","5064","5075","10.1039/d4sc08380f","","","0.71073","MoKα","","0.0358","0.0339","","","0.0905","0.092","","","","","","1.141","","","","has coordinates","298821","2025-04-05","02:29:20",""
"1573916","7.0417","0.0001","21.4946","0.0001","12.9761","0.0001","90","","104.119","0.001","90","","1904.71","0.03","283.2","0.7","283.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N6 O2 S2 -","- C16 H20 N6 O2 S2 -","- C64 H80 N24 O8 S8 -","4","1","","Datta, Paramita; Maji, Subir; Biswas, Prativa; Jain, Divya; Dey, Partha Protim; Mandal, Swadhin K.","An organophotocatalytic redox-neutral strategy for late-stage drug functionalization with SO<sub>2</sub> gas.","Chemical science","2025","16","12","5064","5075","10.1039/d4sc08380f","","","1.54184","CuKα","","0.0383","0.0359","","","0.1001","0.1024","","","","","","1.071","","","","has coordinates","298821","2025-04-05","02:29:20",""
"1573917","11.72","0.001","13.2505","0.001","11.8575","0.001","90","","111.107","0.003","90","","1717.9","0.2","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O4 S -","- C18 H20 N2 O4 S -","- C72 H80 N8 O16 S4 -","4","1","","Datta, Paramita; Maji, Subir; Biswas, Prativa; Jain, Divya; Dey, Partha Protim; Mandal, Swadhin K.","An organophotocatalytic redox-neutral strategy for late-stage drug functionalization with SO<sub>2</sub> gas.","Chemical science","2025","16","12","5064","5075","10.1039/d4sc08380f","","","0.71073","MoKα","","0.034","0.0296","","","0.0765","0.0793","","","","","","1.051","","","","has coordinates","298821","2025-04-05","02:29:20",""
"1573918","16.5203","0.0001","11.144","0.0001","23.4626","0.0002","90","","90","","90","","4319.52","0.06","290","9","290.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H20 Cl N3 O3 S -","- C23 H20 Cl N3 O3 S -","- C184 H160 Cl8 N24 O24 S8 -","8","1","","Datta, Paramita; Maji, Subir; Biswas, Prativa; Jain, Divya; Dey, Partha Protim; Mandal, Swadhin K.","An organophotocatalytic redox-neutral strategy for late-stage drug functionalization with SO<sub>2</sub> gas.","Chemical science","2025","16","12","5064","5075","10.1039/d4sc08380f","","","1.54184","CuKα","","0.0361","0.0328","","","0.0957","0.0989","","","","","","1.059","","","","has coordinates","298821","2025-04-05","02:29:20",""
"1573919","11.096","0.003","10.649","0.003","14.752","0.004","90","","107.211","0.008","90","","1665.1","0.8","293.15","","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Cl N O3 S -","- C17 H18 Cl N O3 S -","- C68 H72 Cl4 N4 O12 S4 -","4","1","","Datta, Paramita; Maji, Subir; Biswas, Prativa; Jain, Divya; Dey, Partha Protim; Mandal, Swadhin K.","An organophotocatalytic redox-neutral strategy for late-stage drug functionalization with SO<sub>2</sub> gas.","Chemical science","2025","16","12","5064","5075","10.1039/d4sc08380f","","","0.71073","MoKα","","0.0426","0.0386","","","0.1029","0.1071","","","","","","1.041","","","","has coordinates","298821","2025-04-05","02:29:20",""
"1573920","9.952","0.003","12.022","0.003","18.755","0.005","78.612","0.009","77.456","0.01","84.925","0.009","2144.8","1","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C47 H46 N3 O10 S2 -","- C46 H50 N2 O10 S2 -","- C92 H100 N4 O20 S4 -","2","1","","Datta, Paramita; Maji, Subir; Biswas, Prativa; Jain, Divya; Dey, Partha Protim; Mandal, Swadhin K.","An organophotocatalytic redox-neutral strategy for late-stage drug functionalization with SO<sub>2</sub> gas.","Chemical science","2025","16","12","5064","5075","10.1039/d4sc08380f","","","0.71073","MoKα","","0.0967","0.0933","","","0.2287","0.2319","","","","","","1.094","","","","has coordinates","298821","2025-04-05","02:29:20",""
"1573921","13.3042","0.0005","15.8775","0.0007","16.5955","0.0008","90","","110.243","0.002","90","","3289.1","0.3","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N3 O2 S2 -","- C17 H17 N3 O2 S2 -","- C136 H136 N24 O16 S16 -","8","2","","Datta, Paramita; Maji, Subir; Biswas, Prativa; Jain, Divya; Dey, Partha Protim; Mandal, Swadhin K.","An organophotocatalytic redox-neutral strategy for late-stage drug functionalization with SO<sub>2</sub> gas.","Chemical science","2025","16","12","5064","5075","10.1039/d4sc08380f","","","0.71073","MoKα","","0.0315","0.028","","","0.0722","0.0759","","","","","","1.058","","","","has coordinates","298821","2025-04-05","02:29:20",""
"1573924","26.4305","0.0013","26.4305","0.0013","28.419","0.002","90","","90","","120","","17192.9","1.7","170","","170","","","","","","","","","5","P 63/m","-P 6c","176","","","","- C270 H210 N30 O18 Zn3 -","- C270 H210 N30 O18 Zn3 -","- C540 H420 N60 O36 Zn6 -","2","0.166667","","Xu, Ziwei; Ying, Xinwen; Li, Yi; Dong, Xiaoyan; Liu, Jiyong; Wang, Shuping; Little, Marc A.; Zhang, Dahao; Xie, Yongshu; Zhang, Zibin; Yu, Ling; Huang, Feihe; Li, Shijun","Template-directed self-assembly of porphyrin nanorings through an imine condensation reaction.","Chemical science","2025","16","12","5166","5173","10.1039/d4sc08569h","","x-ray","1.34139","GaKα","","0.2082","0.1363","","","0.3491","0.4048","","","","","","1.202","","","","has coordinates","298816","2025-04-05","02:27:23",""
"1573927","10.45569","0.00015","18.57018","0.00019","10.44754","0.00014","90","","115.809","0.0017","90","","1826.19","0.05","280","1","280","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 F2 N O3 -","- C20 H21 F2 N O3 -","- C80 H84 F8 N4 O12 -","4","1","","Fu, Hong; Wang, Zuo-Shuai; Li, Si-Jia; Zhu, Lin-Yuan; Wang, Xiao-Jian; Wang, Hong-Chen; Han, Bing","Photocatalytic 1,3-difluoroalkylcarboxylation of alkenes by triple kinetic-controlled radical self-ordering.","Chemical science","2025","16","14","5849","5856","10.1039/d4sc08607d","","x-ray","1.54184","CuKα","","0.0394","0.0374","","","0.0982","0.0997","","","","","","1.047","","","","has coordinates","298828","2025-04-05","02:30:56",""
"1573928","9.938","0.0007","10.9753","0.0009","11.084","0.0007","108.444","0.006","102.977","0.006","113.996","0.007","956.77","0.17","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 F2 N O3 -","- C22 H23 F2 N O3 -","- C44 H46 F4 N2 O6 -","2","1","","Fu, Hong; Wang, Zuo-Shuai; Li, Si-Jia; Zhu, Lin-Yuan; Wang, Xiao-Jian; Wang, Hong-Chen; Han, Bing","Photocatalytic 1,3-difluoroalkylcarboxylation of alkenes by triple kinetic-controlled radical self-ordering.","Chemical science","2025","16","14","5849","5856","10.1039/d4sc08607d","","x-ray","1.54184","CuKα","","0.0695","0.0556","","","0.1613","0.1792","","","","","","1.071","","","","has coordinates","298828","2025-04-05","02:30:56",""
"1573929","16.8352","0.0003","17.2648","0.0002","18.6772","0.0003","90","","94.3","0.002","90","","5413.37","0.14","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H70 F3 Gd N6 O20 S -","- C47 H50 F3 Gd N6 O20 S -","- C188 H200 F12 Gd4 N24 O80 S4 -","4","1","","Bodman, Samantha E.; Stachelek, Patrycja; Rehman, Umatur; Plasser, Felix; Pal, Robert; Butler, Stephen J.","A switch-on luminescent europium(iii) probe for selective and time-resolved detection of adenosine diphosphate (ADP).","Chemical science","2025","16","13","5602","5612","10.1039/d4sc07188c","","x-ray","0.71075","MoKα","","0.0929","0.0642","","","0.1602","0.1864","","","","","","1.058","","","","has coordinates,has disorder","298804","2025-04-05","02:23:42",""
"1573930","11.8872","0.0005","10.1609","0.0005","28.5346","0.0012","90","","90","","90","","3446.5","0.3","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H19 Cl O -","- C22 H19 Cl O -","- C176 H152 Cl8 O8 -","8","1","","Wang, Yue; Miao, Junhao; Dong, Honglin; Zhang, Dongliang; Chen, Bei; Guan, Meihui; Zhang, Ge; Zhang, Qian","A photo- and cobalt-catalyzed highly selective and divergent hydrofunctionalization of 1,3-dienes with phenols.","Chemical science","2025","16","13","5640","5650","10.1039/d5sc00438a","","","1.54178","CuKα","","0.0642","0.0608","","","0.1615","0.1663","","","","","","1.075","","","","has coordinates","298799","2025-04-05","02:22:43",""
"1573931","29.74","0.004","16.255","0.002","24.079","0.004","90","","98.901","0.006","90","","11500","3","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H37.5 Au B F20 N4.5 -","- C69 H37.5 Au B F20 N4.5 -","- C552 H300 Au8 B8 F160 N36 -","8","2","","Haketa, Yohei; Nakajima, Ryoya; Maruyama, Yuto; Tanaka, Hiroki; Choi, Wookjin; Seki, Shu; Sato, Shunsuke; Baba, Hitomi; Ishii, Yoshiki; Watanabe, Go; Bulgarevich, Kirill; Takimiya, Kazuo; Deguchi, Kenzo; Ohki, Shinobu; Hashi, Kenjiro; Nakanishi, Takashi; Ishibashi, Yukihide; Asahi, Tsuyoshi; Ohta, Kazuchika; Maeda, Hiromitsu","Electrically conductive charge-segregated pseudo-polymorphs comprising highly planar expanded π-electronic cations.","Chemical science","2025","16","12","4998","5006","10.1039/d4sc07576e","","","0.71073","MoKα","","0.0882","0.0626","","","0.1546","0.172","","","","","","1.046","","","","has coordinates","298818","2025-04-05","02:28:00",""
"1573932","7.2275","0.0002","29.8407","0.0008","30.6964","0.0009","90","","90","","90","","6620.4","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C46 H20 Au N9 -","- C46 H20 Au N9 -","- C368 H160 Au8 N72 -","8","1","","Haketa, Yohei; Nakajima, Ryoya; Maruyama, Yuto; Tanaka, Hiroki; Choi, Wookjin; Seki, Shu; Sato, Shunsuke; Baba, Hitomi; Ishii, Yoshiki; Watanabe, Go; Bulgarevich, Kirill; Takimiya, Kazuo; Deguchi, Kenzo; Ohki, Shinobu; Hashi, Kenjiro; Nakanishi, Takashi; Ishibashi, Yukihide; Asahi, Tsuyoshi; Ohta, Kazuchika; Maeda, Hiromitsu","Electrically conductive charge-segregated pseudo-polymorphs comprising highly planar expanded π-electronic cations.","Chemical science","2025","16","12","4998","5006","10.1039/d4sc07576e","","","0.812","Synchrotron","","0.058","0.0495","","","0.1313","0.1388","","","","","","1.004","","","","has coordinates","298818","2025-04-05","02:28:01",""
"1573933","7.6381","0.0003","27.9614","0.0011","28.9791","0.0013","90","","90","","90","","6189.1","0.4","90","2","90","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C60 H20 Au B F20 N4 -","- C60 H20 Au B F20 N4 -","- C240 H80 Au4 B4 F80 N16 -","4","0.5","","Haketa, Yohei; Nakajima, Ryoya; Maruyama, Yuto; Tanaka, Hiroki; Choi, Wookjin; Seki, Shu; Sato, Shunsuke; Baba, Hitomi; Ishii, Yoshiki; Watanabe, Go; Bulgarevich, Kirill; Takimiya, Kazuo; Deguchi, Kenzo; Ohki, Shinobu; Hashi, Kenjiro; Nakanishi, Takashi; Ishibashi, Yukihide; Asahi, Tsuyoshi; Ohta, Kazuchika; Maeda, Hiromitsu","Electrically conductive charge-segregated pseudo-polymorphs comprising highly planar expanded π-electronic cations.","Chemical science","2025","16","12","4998","5006","10.1039/d4sc07576e","","","0.71073","MoKα","","0.0674","0.0521","","","0.1508","0.1613","","","","","","1.206","","","","has coordinates","298818","2025-04-05","02:28:01",""
"1573934","35.803","0.006","21.342","0.004","20.798","0.003","90","","116.122","0.004","90","","14269","4","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H54 Au B F24 N6 -","- C80 H54 Au B F24 N6 -","- C640 H432 Au8 B8 F192 N48 -","8","1","","Haketa, Yohei; Nakajima, Ryoya; Maruyama, Yuto; Tanaka, Hiroki; Choi, Wookjin; Seki, Shu; Sato, Shunsuke; Baba, Hitomi; Ishii, Yoshiki; Watanabe, Go; Bulgarevich, Kirill; Takimiya, Kazuo; Deguchi, Kenzo; Ohki, Shinobu; Hashi, Kenjiro; Nakanishi, Takashi; Ishibashi, Yukihide; Asahi, Tsuyoshi; Ohta, Kazuchika; Maeda, Hiromitsu","Electrically conductive charge-segregated pseudo-polymorphs comprising highly planar expanded π-electronic cations.","Chemical science","2025","16","12","4998","5006","10.1039/d4sc07576e","","","0.71073","MoKα","","0.0328","0.03","","","0.0766","0.0782","","","","","","1.073","","","","has coordinates,has disorder","298818","2025-04-05","02:28:01",""
"1573935","25.853","0.003","37.935","0.004","20.488","0.002","90","","90.017","0.006","90","","20093","4","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70.67 H36 Au B Cl4 F24 N4 -","- C70.6667 H36 Au B Cl4 F24 N4 -","- C848 H432 Au12 B12 Cl48 F288 N48 -","12","1.5","","Haketa, Yohei; Nakajima, Ryoya; Maruyama, Yuto; Tanaka, Hiroki; Choi, Wookjin; Seki, Shu; Sato, Shunsuke; Baba, Hitomi; Ishii, Yoshiki; Watanabe, Go; Bulgarevich, Kirill; Takimiya, Kazuo; Deguchi, Kenzo; Ohki, Shinobu; Hashi, Kenjiro; Nakanishi, Takashi; Ishibashi, Yukihide; Asahi, Tsuyoshi; Ohta, Kazuchika; Maeda, Hiromitsu","Electrically conductive charge-segregated pseudo-polymorphs comprising highly planar expanded π-electronic cations.","Chemical science","2025","16","12","4998","5006","10.1039/d4sc07576e","","","0.4136","Synchrotron","","0.0753","0.0583","","","0.1284","0.1377","","","","","","1.072","","","","has coordinates,has disorder","298818","2025-04-05","02:28:01",""
"1573936","9.41547","0.00015","10.53235","0.00017","23.2502","0.0002","93.7232","0.0011","99.2727","0.0011","91.1692","0.0013","2269.61","0.06","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C48 H40 O12 P4 Te2 -","- C48 H40 O12 P4 Te2 -","- C96 H80 O24 P8 Te4 -","2","1","","Xue, Miaomiao; Ye, Guigui; Zhang, Lei; Dong, Qiang; Lee, Chun-Sing; Li, Zhen; Zhang, Qichun","Preparation, single-crystal structure and room-temperature phosphorescence of a covalent organic polymer containing Te-O-P bonds.","Chemical science","2025","16","12","5260","5265","10.1039/d4sc07210c","","x-ray","1.54184","CuKα","","0.0244","0.023","","","0.0578","0.0586","","","","","","1.056","","","","has coordinates","298826","2025-04-05","02:30:12",""
"1573937","13.536","0.0012","5.5532","0.0005","21.084","0.002","90","","92.725","0.009","90","","1583.1","0.3","302.11","0.1","302.11","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 N2 O2 -","- C38 H38 N2 O2 -","- C76 H76 N4 O4 -","2","0.5","","Zhao, Zhenxiang; Wang, Senhao; Shi, Xiaomei; Fu, Hongbing; Wang, Long","Multiple effects of aromatic substituents on excited-state properties and singlet fission process in azaquinodimethane systems.","Chemical science","2025","16","13","5565","5572","10.1039/d4sc06494a","","x-ray","0.71073","MoKα","","0.1386","0.075","","","0.222","0.2706","","","","","","1.029","","","","has coordinates,has disorder","298801","2025-04-05","02:23:14",""
"1573938","11.0327","0.001","12.2831","0.0008","24.7672","0.0012","77.396","0.005","89.959","0.006","64.379","0.008","2936.6","0.4","149","2","149","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H34 N2 O2 S2 -","- C34 H34 N2 O2 S2 -","- C136 H136 N8 O8 S8 -","4","2","","Zhao, Zhenxiang; Wang, Senhao; Shi, Xiaomei; Fu, Hongbing; Wang, Long","Multiple effects of aromatic substituents on excited-state properties and singlet fission process in azaquinodimethane systems.","Chemical science","2025","16","13","5565","5572","10.1039/d4sc06494a","","x-ray","1.54184","CuKα","","0.1254","0.0954","","","0.2811","0.3041","","","","","","1.062","","","","has coordinates","298801","2025-04-05","02:23:15",""
"1573939","39.3453","0.0015","6.1691","0.0002","22.6081","0.0009","90","","116.888","0.002","90","","4894.3","0.3","237","","237","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 N2 O -","- C30 H24 N2 O -","- C240 H192 N16 O8 -","8","1","","Liao, Huijuan; Dong, Jianyang; Zhou, Xuechen; Jiang, Qin; Lv, Zishan; Lei, Fang; Xue, Dong","Silver-mediated formal [4π + 2<i>σ</i>] cycloaddition reactions of bicyclobutanes with nitrile imines: access to 2,3-diazobicyclo[3.1.1]heptenes.","Chemical science","2025","16","11","4654","4660","10.1039/d4sc08280j","","","1.54178","CuKα","","0.0415","0.0345","","","0.0899","0.0951","","","","","","1.056","","","","has coordinates","298807","2025-04-05","02:24:34",""
"1573940","11.8395","0.0006","14.4553","0.0007","15.7362","0.0008","70.349","0.002","82.732","0.002","88.868","0.002","2515.2","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H60.7 Cu F6 N4.4 O6.55 P -","- C54 H60.7 Cu F6 N4.4 O6.55 P -","- C108 H121.4 Cu2 F12 N8.8 O13.1 P2 -","2","1","","Saeednia, Borna; Sragow, Aria M.; Lin, Yannan; Sheehan, Colton J.; Metlay, Amy S.; Gau, Michael R.; Dye, Samantha A.; O'Konski, Sarah P; Mallouk, Thomas E.; Dmochowski, Ivan J.","Unusually air-stable copper(i) complexes showing high selectivity for carbon monoxide.","Chemical science","2025","16","12","5058","5063","10.1039/d5sc00237k","","","0.71073","MoKα","","0.0665","0.0508","","","0.1329","0.1429","","","","","","1.03","","","","has coordinates,has disorder","298817","2025-04-05","02:27:37",""
"1573941","15.4717","0.0005","18.0548","0.0007","22.9196","0.0007","90","","90","","90","","6402.3","0.4","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C62 H69.5 Cu F6 N7.5 O12.5 S2 -","- C62 H69.5 Cu F6 N7.5 O12.5 S2 -","- C248 H278 Cu4 F24 N30 O50 S8 -","4","1","","Saeednia, Borna; Sragow, Aria M.; Lin, Yannan; Sheehan, Colton J.; Metlay, Amy S.; Gau, Michael R.; Dye, Samantha A.; O'Konski, Sarah P; Mallouk, Thomas E.; Dmochowski, Ivan J.","Unusually air-stable copper(i) complexes showing high selectivity for carbon monoxide.","Chemical science","2025","16","12","5058","5063","10.1039/d5sc00237k","","","0.71073","MoKα","","0.0555","0.0432","","","0.1041","0.1119","","","","","","1.052","","","","has coordinates,has disorder","298817","2025-04-05","02:27:37",""
"1573942","18.0509","0.0004","16.2265","0.0002","20.4026","0.0005","90","","115.111","0.003","90","","5411.2","0.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H61 Cu F3 N8 O9 S -","- C56 H61 Cu F3 N8 O9 S -","- C224 H244 Cu4 F12 N32 O36 S4 -","4","1","","Saeednia, Borna; Sragow, Aria M.; Lin, Yannan; Sheehan, Colton J.; Metlay, Amy S.; Gau, Michael R.; Dye, Samantha A.; O'Konski, Sarah P; Mallouk, Thomas E.; Dmochowski, Ivan J.","Unusually air-stable copper(i) complexes showing high selectivity for carbon monoxide.","Chemical science","2025","16","12","5058","5063","10.1039/d5sc00237k","","x-ray","0.71073","MoKα","","0.0474","0.0403","","","0.0969","0.0998","","","","","","1.047","","","","has coordinates,has disorder","298817","2025-04-05","02:27:37",""
"1573948","6.986","0.003","11.274","0.005","11.59","0.005","67.534","0.014","89.112","0.015","88.67","0.015","843.3","0.6","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H16 Ca N2 O10 S2 -","- C10 H16 Ca N2 O10 S2 -","- C20 H32 Ca2 N4 O20 S4 -","2","1","","Xu, Longyun; Li, Conggang; Li, Shuaifeng; Zhao, Huijian; Kong, Xianghao; Qu, Zaixin; Feng, Wenjie; Xu, Kaidong; Ye, Ning; Hu, Zhanggui","Hydrogen bonding regulation-oriented design of pyridine sulfonate as a promising UV birefringent crystal characterized by enhanced structural anisotropy.","Chemical science","2025","16","12","5186","5193","10.1039/d4sc08583c","","","0.71073","MoKα","","0.0729","0.0396","","","0.0775","0.0895","","","","","","1.01","","","","has coordinates","298822","2025-04-05","02:29:30",""
"1573949","21.2505","0.0015","11.5885","0.0007","20.6086","0.0013","90","","92.21","0.002","90","","5071.3","0.6","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H48 Cr F9 N12 O9 S3 -","- C41 H48 Cr F9 N12 O9 S3 -","- C164 H192 Cr4 F36 N48 O36 S12 -","4","1","","Ye, Yating; Poncet, Maxime; Yaltseva, Polina; Salcedo-Abraira, Pablo; Rodríguez-Diéguez, Antonio; Martín, Javier Heredia; Cuevas-Contreras, Laura; Cruz, Carlos M.; Doistau, Benjamin; Piguet, Claude; Wenger, Oliver S.; Herrera, Juan Manuel; Jiménez, Juan-Ramón","Modulating the spin-flip rates and emission energies through ligand design in chromium(iii) molecular rubies.","Chemical science","2025","16","12","5205","5213","10.1039/d4sc08021a","","","0.71073","MoKα","","0.05","0.0413","","","0.1091","0.1165","","","","","","1.053","","","","has coordinates","298825","2025-04-05","02:30:03",""
"1573950","24.8078","0.0009","21.0257","0.001","11.4987","0.0005","90","","90","","90","","5997.7","0.4","100","","100","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C45 H54 Cr F9 N10 O19 S3 -","- C45 H34 Cr F9 N10 O9 S3 -","- C180 H136 Cr4 F36 N40 O36 S12 -","4","1","","Ye, Yating; Poncet, Maxime; Yaltseva, Polina; Salcedo-Abraira, Pablo; Rodríguez-Diéguez, Antonio; Martín, Javier Heredia; Cuevas-Contreras, Laura; Cruz, Carlos M.; Doistau, Benjamin; Piguet, Claude; Wenger, Oliver S.; Herrera, Juan Manuel; Jiménez, Juan-Ramón","Modulating the spin-flip rates and emission energies through ligand design in chromium(iii) molecular rubies.","Chemical science","2025","16","12","5205","5213","10.1039/d4sc08021a","","x-ray","0.71073","MoKα","","0.1117","0.1037","","","0.3308","0.3517","","","","","","1.687","","","","has coordinates,has disorder","298825","2025-04-05","02:30:04",""
"1573951","11.8195","0.0005","22.8812","0.001","22.7016","0.001","90","","100.664","0.0016","90","","6033.5","0.5","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C43 H51 Cr F9 I4 N11 O10 S3 -","- C43 H51 Cr F9 I4.0014 N11 O10 S3 -","- C172 H204 Cr4 F36 I16.0056 N44 O40 S12 -","4","1","","Ye, Yating; Poncet, Maxime; Yaltseva, Polina; Salcedo-Abraira, Pablo; Rodríguez-Diéguez, Antonio; Martín, Javier Heredia; Cuevas-Contreras, Laura; Cruz, Carlos M.; Doistau, Benjamin; Piguet, Claude; Wenger, Oliver S.; Herrera, Juan Manuel; Jiménez, Juan-Ramón","Modulating the spin-flip rates and emission energies through ligand design in chromium(iii) molecular rubies.","Chemical science","2025","16","12","5205","5213","10.1039/d4sc08021a","","","0.71073","MoKα","","0.0816","0.0611","","","0.1406","0.154","","","","","","1.073","","","","has coordinates,has disorder","298825","2025-04-05","02:30:04",""
"1573953","10.327","0.0013","11.0712","0.0014","13.0992","0.0017","93.047","0.002","92.234","0.002","102.161","0.002","1460.1","0.3","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C41 H26 N4 O -","- C41 H26 N4 O -","- C82 H52 N8 O2 -","2","1","","Chu, Lizhi; Ma, Chenglin; Zhang, Li; Zhou, Yannan; Song, Jingru; Sun, Qikun; Zhang, Shi-Tong; Yang, Wenjun; Xue, Shanfeng","Multifunctional oxadiazole-based ultraviolet-emitting materials used as hosts for multicolor phosphorescence.","Chemical science","2025","16","12","5252","5259","10.1039/d5sc00374a","","","0.71073","MoKα","","0.0471","0.0355","","","0.0903","0.096","","","","","","0.955","","","","has coordinates","298815","2025-04-05","02:26:52",""
"1573954","5.505","0.0001","19.8183","0.0003","27.3727","0.0004","90","","95.443","0.001","90","","2972.89","0.08","298","2","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H26 N4 O -","- C41 H26 N4 O -","- C164 H104 N16 O4 -","4","1","","Chu, Lizhi; Ma, Chenglin; Zhang, Li; Zhou, Yannan; Song, Jingru; Sun, Qikun; Zhang, Shi-Tong; Yang, Wenjun; Xue, Shanfeng","Multifunctional oxadiazole-based ultraviolet-emitting materials used as hosts for multicolor phosphorescence.","Chemical science","2025","16","12","5252","5259","10.1039/d5sc00374a","","","1.54178","CuKα","","0.048","0.039","","","0.0989","0.105","","","","","","1.047","","","","has coordinates","298815","2025-04-05","02:26:52",""
"1573955","53.653","0.003","9.11","0.0006","11.0235","0.0007","90","","95.524","0.003","90","","5363","0.6","303.15","","303.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H21 N3 O -","- C32 H21 N3 O -","- C256 H168 N24 O8 -","8","1","","Chu, Lizhi; Ma, Chenglin; Zhang, Li; Zhou, Yannan; Song, Jingru; Sun, Qikun; Zhang, Shi-Tong; Yang, Wenjun; Xue, Shanfeng","Multifunctional oxadiazole-based ultraviolet-emitting materials used as hosts for multicolor phosphorescence.","Chemical science","2025","16","12","5252","5259","10.1039/d5sc00374a","","","1.54178","CuKα","","0.0921","0.0783","","","0.2059","0.2143","","","","","","1.047","","","","has coordinates","298815","2025-04-05","02:26:52",""
"1573956","12.9388","0.0004","30.291","0.002","6.6444","0.0002","90","","90","","90","","2604.1","0.2","300","3","300","3","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 F4 I4 N8 Pb -","- C16 H18 F4 I4 N8 Pb -","- C64 H72 F16 I16 N32 Pb4 -","4","0.5","","Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.","Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.","Chemical science","2025","16","13","5662","5675","10.1039/d4sc06637e","","","0.71073","MoKα","","0.0189","0.017","","","0.038","0.0389","","","","","","1.102","","","","has coordinates","298797","2025-04-05","02:22:22",""
"1573957","12.8444","0.0005","29.723","0.002","6.5815","0.0003","90","","90","","90","","2512.6","0.2","300","3","300","3","","","600000","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 F4 I4 N8 Pb -","- C16 H18 F4 I4 N8 Pb -","- C64 H72 F16 I16 N32 Pb4 -","4","0.5","","Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.","Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.","Chemical science","2025","16","13","5662","5675","10.1039/d4sc06637e","","","0.71073","MoKα","","0.0187","0.0167","","","0.0377","0.0387","","","","","","1.103","","","","has coordinates","298797","2025-04-05","02:22:23",""
"1573958","12.4841","0.0006","27.931","0.002","6.2972","0.0003","90","","90","","90","","2195.8","0.2","300","3","300","3","","","3900000","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 F4 I4 N8 Pb -","- C16 H18 F4 I4 N8 Pb -","- C64 H72 F16 I16 N32 Pb4 -","4","0.5","","Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.","Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.","Chemical science","2025","16","13","5662","5675","10.1039/d4sc06637e","","","0.71073","MoKα","","0.0165","0.0159","","","0.0355","0.0358","","","","","","1.117","","","","has coordinates","298797","2025-04-05","02:22:23",""
"1573959","12.5017","0.0009","27.526","0.004","6.2872","0.0004","90","","90","","90","","2163.6","0.4","300","3","300","3","","","4810000","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 F4 I4 N8 Pb -","- C16 H18 F4 I4 N8 Pb -","- C64 H72 F16 I16 N32 Pb4 -","4","0.5","","Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.","Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.","Chemical science","2025","16","13","5662","5675","10.1039/d4sc06637e","","","0.71073","MoKα","","0.0236","0.0223","","","0.0456","0.0459","","","","","","1.191","","","","has coordinates","298797","2025-04-05","02:22:23",""
"1573960","12.6989","0.001","28.912","0.004","6.47","0.0005","90","","90","","90","","2375.5","0.4","300","3","300","3","","","1610000","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 F4 I4 N8 Pb -","- C16 H18 F4 I4 N8 Pb -","- C64 H72 F16 I16 N32 Pb4 -","4","0.5","","Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.","Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.","Chemical science","2025","16","13","5662","5675","10.1039/d4sc06637e","","","0.71073","MoKα","","0.0159","0.0151","","","0.0352","0.0355","","","","","","1.146","","","","has coordinates","298797","2025-04-05","02:22:23",""
"1573961","12.5029","0.0007","27.709","0.003","6.2997","0.0004","90","","90","","90","","2182.5","0.3","300","3","300","3","","","4330000","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 F4 I4 N8 Pb -","- C16 H18 F4 I4 N8 Pb -","- C64 H72 F16 I16 N32 Pb4 -","4","0.5","","Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.","Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.","Chemical science","2025","16","13","5662","5675","10.1039/d4sc06637e","","","0.71073","MoKα","","0.02","0.0185","","","0.0406","0.041","","","","","","1.157","","","","has coordinates","298797","2025-04-05","02:22:23",""
"1573962","12.699","0.0005","28.928","0.002","6.4727","0.0003","90","","90","","90","","2377.8","0.2","300","3","300","3","","","1600000","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 F4 I4 N8 Pb -","- C16 H18 F4 I4 N8 Pb -","- C64 H72 F16 I16 N32 Pb4 -","4","0.5","","Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.","Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.","Chemical science","2025","16","13","5662","5675","10.1039/d4sc06637e","","","0.71073","MoKα","","0.0187","0.0168","","","0.0357","0.0394","","","","","","1.153","","","","has coordinates","298797","2025-04-05","02:22:23",""
"1573963","12.9028","0.0005","30.077","0.003","6.6218","0.0003","90","","90","","90","","2569.8","0.3","300","3","300","3","","","200000","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 F4 I4 N8 Pb -","- C16 H18 F4 I4 N8 Pb -","- C64 H72 F16 I16 N32 Pb4 -","4","0.5","","Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.","Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.","Chemical science","2025","16","13","5662","5675","10.1039/d4sc06637e","","","0.71073","MoKα","","0.0189","0.017","","","0.0383","0.039","","","","","","1.113","","","","has coordinates","298797","2025-04-05","02:22:23",""
"1573964","12.5704","0.0005","28.337","0.002","6.3725","0.0003","90","","90","","90","","2269.9","0.2","300","3","300","3","","","2825000","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 F4 I4 N8 Pb -","- C16 H18 F4 I4 N8 Pb -","- C64 H72 F16 I16 N32 Pb4 -","4","0.5","","Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.","Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.","Chemical science","2025","16","13","5662","5675","10.1039/d4sc06637e","","","0.71073","MoKα","","0.0172","0.0158","","","0.0361","0.0376","","","","","","1.158","","","","has coordinates","298797","2025-04-05","02:22:23",""
"1573965","12.5155","0.0005","28.112","0.002","6.3307","0.0002","90","","90","","90","","2227.37","0.19","300","3","300","3","","","3400000","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 F4 I4 N8 Pb -","- C16 H18 F4 I4 N8 Pb -","- C64 H72 F16 I16 N32 Pb4 -","4","0.5","","Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.","Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.","Chemical science","2025","16","13","5662","5675","10.1039/d4sc06637e","","","0.71073","MoKα","","0.0188","0.017","","","0.0357","0.0394","","","","","","1.204","","","","has coordinates","298797","2025-04-05","02:22:23",""
"1573966","12.6346","0.0005","28.617","0.002","6.4221","0.0003","90","","90","","90","","2322","0.2","300","3","300","3","","","2220000","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 F4 I4 N8 Pb -","- C16 H18 F4 I4 N8 Pb -","- C64 H72 F16 I16 N32 Pb4 -","4","0.5","","Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.","Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.","Chemical science","2025","16","13","5662","5675","10.1039/d4sc06637e","","","0.71073","MoKα","","0.0159","0.0151","","","0.0316","0.0319","","","","","","1.154","","","","has coordinates","298797","2025-04-05","02:22:23",""
"1573967","12.7582","0.0005","29.234","0.002","6.5183","0.0003","90","","90","","90","","2431.2","0.2","300","3","300","3","","","1100000","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 F4 I4 N8 Pb -","- C16 H18 F4 I4 N8 Pb -","- C64 H72 F16 I16 N32 Pb4 -","4","0.5","","Maufort, Arthur; Van Landeghem, Melissa; Deutsch, Maxime; Banks, Peter; La Magna, Paola; Van Hecke, Kristof; Cerdá, Jesús; Lutsen, Laurence; Vanderzande, Dirk; Quarti, Claudio; Beljonne, David; Pillet, Sébastien; Vandewal, Koen; Van Gompel, Wouter T. M.","Structural rigidity, thermochromism and piezochromism of layered hybrid perovskites containing an interdigitated organic bilayer.","Chemical science","2025","16","13","5662","5675","10.1039/d4sc06637e","","","0.71073","MoKα","","0.0181","0.0166","","","0.0339","0.035","","","","","","1.118","","","","has coordinates","298797","2025-04-05","02:22:23",""
"1573968","5.5513","0.0001","9.0805","0.0001","22.6176","0.0003","90","","93.832","0.001","90","","1137.57","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N2 -","- C15 H12 N2 -","- C60 H48 N8 -","4","1","","Shaydullin, Ruslan R.; Galushko, Alexey S.; Ilyushenkova, Valentina V.; Vlasova, Yulia S.; Ananikov, Valentine P.","Are activation barriers of 50-70 kcal mol<sup>-1</sup> accessible for transformations in organic synthesis in solution?","Chemical science","2025","16","12","5289","5298","10.1039/d4sc08243e","","x-ray","1.54184","CuKα","","0.042","0.0397","","","0.11","0.1123","","","","","","1.03","","","","has coordinates","298824","2025-04-05","02:29:44",""
"1573969","27.5951","0.0002","13.4831","0.0001","29.7605","0.0002","90","","114.537","0.001","90","","10073","0.15","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C123 H94 B2 Cl6 N6 Zn -","- C120 H88 B2 N6 Zn -","- C480 H352 B8 N24 Zn4 -","4","0.5","","Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette","Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.","Chemical science","2025","16","14","5857","5871","10.1039/d4sc07798a","","x-ray","1.54184","CuKα","","0.0367","0.0348","","","0.0964","0.0978","","","","","","1.038","","","","has coordinates","298833","2025-04-05","02:33:26",""
"1573970","27.51","0.006","13.52","0.003","30.45","0.006","90","","113.67","0.03","90","","10373","5","300","0.2","300","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C132 H116 B2 Fe N6 O2 -","- C120 H88 B2 Fe N6 -","- C480 H352 B8 Fe4 N24 -","4","0.5","","Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette","Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.","Chemical science","2025","16","14","5857","5871","10.1039/d4sc07798a","","","0.71075","Synchrotron","","0.0429","0.0378","","","0.1153","0.1203","","","","","","1.074","","","","has coordinates","298833","2025-04-05","02:33:27",""
"1573971","27.79","0.006","13.68","0.003","30.56","0.006","90","","113.4","0.03","90","","10662","5","400","0.2","400","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C132 H116 B2 Fe N6 O2 -","- C120 H88 B2 Fe N6 -","- C480 H352 B8 Fe4 N24 -","4","0.5","","Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette","Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.","Chemical science","2025","16","14","5857","5871","10.1039/d4sc07798a","","","0.71075","Synchrotron","","0.0603","0.0459","","","0.1389","0.1556","","","","","","1.042","","","","has coordinates","298833","2025-04-05","02:33:27",""
"1573972","27.31","0.006","13.37","0.003","30.17","0.006","90","","114.31","0.03","90","","10039","4","100","0.2","100","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C132 H116 B2 Fe N6 O2 -","- C120 H88 B2 Fe N6 -","- C480 H352 B8 Fe4 N24 -","4","0.5","","Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette","Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.","Chemical science","2025","16","14","5857","5871","10.1039/d4sc07798a","","","0.71075","Synchrotron","","0.0437","0.04","","","0.1084","0.1122","","","","","","1.061","","","","has coordinates","298833","2025-04-05","02:33:27",""
"1573973","27.71","0.006","13.64","0.003","30.55","0.006","90","","113.46","0.03","90","","10592","5","375","0.2","375","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C132 H116 B2 Fe N6 O2 -","- C120 H88 B2 Fe N6 -","- C480 H352 B8 Fe4 N24 -","4","0.5","","Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette","Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.","Chemical science","2025","16","14","5857","5871","10.1039/d4sc07798a","","","0.71075","Synchrotron","","0.0551","0.0427","","","0.1301","0.1435","","","","","","1.085","","","","has coordinates","298833","2025-04-05","02:33:27",""
"1573974","27.429","0.006","13.479","0.003","29.817","0.006","90","","114.3","0.03","90","","10047","4","100","2","100","0.02","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C133 H118 B2 Cl2 Co N6 O2 -","- C120 H88 B2 Co N6 -","- C480 H352 B8 Co4 N24 -","4","0.5","","Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette","Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.","Chemical science","2025","16","14","5857","5871","10.1039/d4sc07798a","","x-ray","0.71076","Synchrotron","","0.0609","0.0558","","","0.175","0.1813","","","","","","1.111","","","","has coordinates","298833","2025-04-05","02:33:27",""
"1573975","27.35","0.006","13.4","0.003","30.24","0.006","90","","114.19","0.03","90","","10110","4","150","0.2","150","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C132 H116 B2 Fe N6 O2 -","- C120 H88 B2 Fe N6 -","- C480 H352 B8 Fe4 N24 -","4","0.5","","Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette","Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.","Chemical science","2025","16","14","5857","5871","10.1039/d4sc07798a","","","0.71075","Synchrotron","","0.044","0.0398","","","0.109","0.1142","","","","","","1.061","","","","has coordinates","298833","2025-04-05","02:33:27",""
"1573976","27.38","0.006","13.44","0.003","30.33","0.006","90","","113.99","0.03","90","","10197","4","200","0.2","200","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C132 H116 B2 Fe N6 O2 -","- C120 H88 B2 Fe N6 -","- C480 H352 B8 Fe4 N24 -","4","0.5","","Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette","Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.","Chemical science","2025","16","14","5857","5871","10.1039/d4sc07798a","","","0.71075","Synchrotron","","0.0471","0.0391","","","0.1099","0.1202","","","","","","1.107","","","","has coordinates","298833","2025-04-05","02:33:27",""
"1573977","27.44","0.006","13.47","0.003","30.39","0.006","90","","113.83","0.03","90","","10275","4","250","0.2","250","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C132 H116 B2 Fe N6 O2 -","- C120 H88 B2 Fe N6 -","- C480 H352 B8 Fe4 N24 -","4","0.5","","Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette","Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.","Chemical science","2025","16","14","5857","5871","10.1039/d4sc07798a","","","0.71075","Synchrotron","","0.0454","0.0405","","","0.1163","0.1222","","","","","","1.077","","","","has coordinates","298833","2025-04-05","02:33:27",""
"1573978","27.64","0.006","13.59","0.003","30.52","0.006","90","","113.51","0.03","90","","10513","5","350","0.2","350","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C132 H116 B2 Fe N6 O2 -","- C120 H88 B2 Fe N6 -","- C480 H352 B8 Fe4 N24 -","4","0.5","","Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette","Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.","Chemical science","2025","16","14","5857","5871","10.1039/d4sc07798a","","","0.71075","Synchrotron","","0.047","0.0398","","","0.1208","0.1276","","","","","","1.073","","","","has coordinates","298833","2025-04-05","02:33:27",""
"1573979","17.0314","0.0002","17.0463","0.0003","21.0901","0.0002","80.916","0.001","69.604","0.001","60.143","0.002","4976.4","0.16","100","0.11","100","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C129 H109 B2 Mn N6 O1.5 -","- C120 H88 B2 Mn N6 -","- C240 H176 B4 Mn2 N12 -","2","1","","Janetzki, Jett T.; Brown, Dominic S.; Daumann, Florian; Ismail, I. Haseena; Gable, Robert W.; Hay, Moya A.; Mulder, Roger J.; Starikova, Alyona A.; Weber, Birgit; Giansiracusa, Marcus J.; Boskovic, Colette","Thermal- and light-induced valence tautomerism with a concerted spin transition in an iron tris(diimine) complex.","Chemical science","2025","16","14","5857","5871","10.1039/d4sc07798a","","x-ray","1.54184","CuKα","","0.0488","0.0428","","","0.1128","0.1181","","","","","","1.101","","","","has coordinates,has disorder","298833","2025-04-05","02:33:27",""
"1573980","7.7089","0.0001","24.161","0.0002","30.34","0.0003","90","","90","","90","","5650.97","0.1","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H29 N O2 -","- C40 H29 N O2 -","- C320 H232 N8 O16 -","8","2","","Sun, Haodong; Xiao, Yuxin; He, Yunfei; Wei, Xiaoyu; Zou, Jindou; Luo, Yuanda; Wu, Yazhang; Zhao, Jiaxin; Au, Vonika Ka-Man; Yu, Tao","3D printable organic room-temperature phosphorescent materials and printed real-time sensing and display devices.","Chemical science","2025","16","12","5299","5309","10.1039/d5sc00316d","","x-ray","1.54184","CuKα","","0.0378","0.0345","","","0.0879","0.0895","","","","","","1.087","","","","has coordinates","299663","2025-05-14","10:18:01",""
"1573981","12.8697","0.0006","26.1356","0.0009","7.9805","0.0003","90","","107.143","0.004","90","","2565.04","0.19","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H23 Cl2 N O2 -","- C33 H23 Cl2 N O2 -","- C132 H92 Cl8 N4 O8 -","4","1","","Sun, Haodong; Xiao, Yuxin; He, Yunfei; Wei, Xiaoyu; Zou, Jindou; Luo, Yuanda; Wu, Yazhang; Zhao, Jiaxin; Au, Vonika Ka-Man; Yu, Tao","3D printable organic room-temperature phosphorescent materials and printed real-time sensing and display devices.","Chemical science","2025","16","12","5299","5309","10.1039/d5sc00316d","","x-ray","0.71073","MoKα","","0.0809","0.0589","","","0.1674","0.1832","","","","","","1.057","","","","has coordinates","298814","2025-04-05","02:26:36",""
"1573982","15.739","0.002","16.068","0.002","13.9254","0.0019","90","","107.433","0.002","90","","3359.9","0.8","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H29 N O2 -","- C44 H29 N O2 -","- C176 H116 N4 O8 -","4","1","","Sun, Haodong; Xiao, Yuxin; He, Yunfei; Wei, Xiaoyu; Zou, Jindou; Luo, Yuanda; Wu, Yazhang; Zhao, Jiaxin; Au, Vonika Ka-Man; Yu, Tao","3D printable organic room-temperature phosphorescent materials and printed real-time sensing and display devices.","Chemical science","2025","16","12","5299","5309","10.1039/d5sc00316d","","","0.71073","MoKα","","0.2009","0.0791","","","0.2182","0.2976","","","","","","0.936","","","","has coordinates","298814","2025-04-05","02:26:36",""
"1573985","10.0719","0.0004","10.9585","0.0005","18.5142","0.0008","90","","90","","90","","2043.47","0.15","170","","170","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H33 B11 N2 O2 -","- C12 H33 B11 N2 O2 -","- C48 H132 B44 N8 O8 -","4","0.5","","Sun, Wanqi; Jin, Yujie; Wang, Yongtao; Wen, Zeyu; Sun, Jizeng; Yao, Jia; Duttwyler, Simon; Li, Haoran","Oxidation-induced nucleophilic substitution at the electron-rich B(12) vertex in [CB<sub>11</sub>H<sub>12</sub>]<sup>-</sup> under catalyst-free conditions.","Chemical science","2025","16","14","5942","5947","10.1039/d5sc00234f","","","1.34139","GaKα","","0.0746","0.0562","","","0.1574","0.1719","","","","","","1.053","","","","has coordinates,has disorder","298787","2025-04-05","02:19:17",""
"1573986","10.4232","0.0006","11.4832","0.0008","14.7581","0.0009","93.391","0.004","94.642","0.004","91.388","0.004","1756.8","0.19","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H55 B11 N2 O7 -","- C24 H55 B11 N2 O7 -","- C48 H110 B22 N4 O14 -","2","1","","Sun, Wanqi; Jin, Yujie; Wang, Yongtao; Wen, Zeyu; Sun, Jizeng; Yao, Jia; Duttwyler, Simon; Li, Haoran","Oxidation-induced nucleophilic substitution at the electron-rich B(12) vertex in [CB<sub>11</sub>H<sub>12</sub>]<sup>-</sup> under catalyst-free conditions.","Chemical science","2025","16","14","5942","5947","10.1039/d5sc00234f","","","1.34139","GaKα","","0.1875","0.0781","","","0.1772","0.2293","","","","","","0.94","","","","has coordinates","298787","2025-04-05","02:19:17",""
"1573987","23.2378","0.0009","9.4437","0.0004","17.9211","0.0007","90","","109.429","0.001","90","","3708.8","0.3","170","","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H53 B11 Cl6 N2 O2 -","- C21 H53 B11 Cl6 N2 O2 -","- C84 H212 B44 Cl24 N8 O8 -","4","1","","Sun, Wanqi; Jin, Yujie; Wang, Yongtao; Wen, Zeyu; Sun, Jizeng; Yao, Jia; Duttwyler, Simon; Li, Haoran","Oxidation-induced nucleophilic substitution at the electron-rich B(12) vertex in [CB<sub>11</sub>H<sub>12</sub>]<sup>-</sup> under catalyst-free conditions.","Chemical science","2025","16","14","5942","5947","10.1039/d5sc00234f","","","1.34139","GaKα","","0.0545","0.0445","","","0.1182","0.1248","","","","","","1.053","","","","has coordinates","298787","2025-04-05","02:19:17",""
"1573988","13.1967","0.0005","22.4636","0.0008","20.8837","0.0008","90","","92.836","0.002","90","","6183.3","0.4","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H54 B11 N3 O2 -","- C21 H54 B11 N3 O2 -","- C168 H432 B88 N24 O16 -","8","2","","Sun, Wanqi; Jin, Yujie; Wang, Yongtao; Wen, Zeyu; Sun, Jizeng; Yao, Jia; Duttwyler, Simon; Li, Haoran","Oxidation-induced nucleophilic substitution at the electron-rich B(12) vertex in [CB<sub>11</sub>H<sub>12</sub>]<sup>-</sup> under catalyst-free conditions.","Chemical science","2025","16","14","5942","5947","10.1039/d5sc00234f","","x-ray","1.34139","GaKα","","0.0579","0.0457","","","0.1216","0.1305","","","","","","1.037","","","","has coordinates","298787","2025-04-05","02:19:17",""
"1573989","7.613","0.0005","8.5829","0.0004","12.8193","0.0007","80.36","0.004","73.628","0.005","82.082","0.005","788.68","0.08","219.99","0.1","219.99","0.1","","","","","","","","5","P 1","P 1","1","","","","- C18 H15 Br Fe O2 -","- C18 H15 Br Fe O2 -","- C36 H30 Br2 Fe2 O4 -","2","2","","Hang, Nan-Nan; Tong, En-Guang; Qi, Ting; Sun, Chao; Ming, Jialin","Asymmetric synthesis of metallocenes with planar and central chirality by rhodium-catalyzed desymmetrization reactions.","Chemical science","2025","16","14","5880","5886","10.1039/d5sc00158g","","x-ray","1.54184","CuKα","","0.0507","0.0445","","","0.1133","0.1195","","","","","","1.08","","","","has coordinates","298832","2025-04-05","02:32:44",""
"1573990","7.79663","0.00015","10.5671","0.0002","18.0745","0.0003","90","","101.425","0.0018","90","","1459.61","0.05","160","1","160","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 N2 O4 Re S2 -","- C10 H17 N2 O4 Re S2 -","- C40 H68 N8 O16 Re4 S8 -","4","1","","Melis, Diana R.; Segers, Charlotte; Wellens, Jasmien; Van de Voorde, Michiel; Blacque, Olivier; Ooms, Maarten; Gasser, Gilles; Opsomer, Tomas","Cysteine-selective [<sup>188</sup>Re]Re(v) radiolabelling of a Nanobody® for targeted radionuclide therapy using a ""chelate-then-click"" approach.","Chemical science","2025","16","14","6089","6098","10.1039/d4sc07743a","","x-ray","1.54184","CuKα","","0.0271","0.0266","","","0.0578","0.058","","","","","","1.276","","","","has coordinates,has disorder","298785","2025-04-05","02:18:26",""
"1573991","27.8226","0.0004","20.249","0.0003","8.86174","0.00014","90","","90","","90","","4992.53","0.13","160","0.1","160","0.1","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C8 H13 N2 O4 Re S2 -","- C8 H13 N2 O4 Re S2 -","- C128 H208 N32 O64 Re16 S32 -","16","1","","Melis, Diana R.; Segers, Charlotte; Wellens, Jasmien; Van de Voorde, Michiel; Blacque, Olivier; Ooms, Maarten; Gasser, Gilles; Opsomer, Tomas","Cysteine-selective [<sup>188</sup>Re]Re(v) radiolabelling of a Nanobody® for targeted radionuclide therapy using a ""chelate-then-click"" approach.","Chemical science","2025","16","14","6089","6098","10.1039/d4sc07743a","","x-ray","1.54184","CuKα","","0.0298","0.0298","","","0.0752","0.0753","","","","","","1.043","","","","has coordinates","298785","2025-04-05","02:18:26",""
"1573992","11.0941","0.0004","22.838","0.0009","15.192","0.0006","90","","93.182","0.002","90","","3843.2","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Co F3 N2 P4 -","- C42 H42 Co F3 N2 P4 -","- C168 H168 Co4 F12 N8 P16 -","4","1","","Fitzsimmons, Matthew C.; Seith, Maria C.; Moore, Curtis E.; Thomas, Christine M.","Efficient and selective hydroboration of alkenes catalyzed by an air-stable (PP<sup>CF3</sup>P)CoI<sub>2</sub> precatalyst.","Chemical science","2025","16","13","5717","5725","10.1039/d4sc08818b","","x-ray","0.71073","MoKα","K-L~3~","0.0519","0.045","","","0.1092","0.1134","","","","","","1.149","","","","has coordinates","298798","2025-04-05","02:22:36",""
"1573993","12.5715","0.0006","13.3397","0.0006","15.6881","0.0008","87.496","0.002","73.663","0.002","62.081","0.001","2218.77","0.19","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C41.5 H37 Cl5 Co F3 I2 N2 P3 -","- C41.5 H37 Cl5 Co F3 I2 N2 P3 -","- C83 H74 Cl10 Co2 F6 I4 N4 P6 -","2","1","","Fitzsimmons, Matthew C.; Seith, Maria C.; Moore, Curtis E.; Thomas, Christine M.","Efficient and selective hydroboration of alkenes catalyzed by an air-stable (PP<sup>CF3</sup>P)CoI<sub>2</sub> precatalyst.","Chemical science","2025","16","13","5717","5725","10.1039/d4sc08818b","","x-ray","0.71073","MoKα","K-L~3~","0.0321","0.0241","","","0.0518","0.0553","","","","","","1.026","","","","has coordinates,has disorder","298798","2025-04-05","02:22:36",""
"1573994","24.0754","0.0015","12.3634","0.0008","34.026","0.002","90","","90","","90","","10128","1.1","100","","100","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C55 H57 Co F3 N2 O2 P3 -","- C47 H41 Co F3 N2 P3 -","- C376 H328 Co8 F24 N16 P24 -","8","2","","Fitzsimmons, Matthew C.; Seith, Maria C.; Moore, Curtis E.; Thomas, Christine M.","Efficient and selective hydroboration of alkenes catalyzed by an air-stable (PP<sup>CF3</sup>P)CoI<sub>2</sub> precatalyst.","Chemical science","2025","16","13","5717","5725","10.1039/d4sc08818b","","x-ray","0.71073","MoKα","K-L~3~","0.0719","0.0451","","","0.0911","0.0986","","","","","","1.028","","","","has coordinates","298798","2025-04-05","02:22:36",""
"1573995","11.0055","0.0004","12.1682","0.0005","14.8532","0.0006","90","","104.525","0.002","90","","1925.52","0.13","223","","223","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 O3 S -","- C23 H18 N2 O3 S -","- C92 H72 N8 O12 S4 -","4","1","","Gu, Jun; Zhang, Li-Hong; Zhuang, Hong-Feng; He, Ying","Atroposelective [4+1] annulation for the synthesis of isotopic isoindolinones bearing both central and axial chirality.","Chemical science","2025","16","13","5735","5744","10.1039/d5sc00594a","","","1.54178","CuKα","","0.036","0.0327","","","0.0868","0.088","","","","","","1.068","","","","has coordinates","298802","2025-04-05","02:23:23",""
"1573996","8.843","0.0001","12.33","0.0002","18.0497","0.0002","90","","90","","90","","1968.03","0.04","193.15","","193.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 N2 O3 S -","- C23 H20 N2 O3 S -","- C92 H80 N8 O12 S4 -","4","1","","Gu, Jun; Zhang, Li-Hong; Zhuang, Hong-Feng; He, Ying","Atroposelective [4+1] annulation for the synthesis of isotopic isoindolinones bearing both central and axial chirality.","Chemical science","2025","16","13","5735","5744","10.1039/d5sc00594a","","","1.54184","CuKα","","0.0255","0.0251","","","0.0668","0.0672","","","","","","1.075","","","","has coordinates","298802","2025-04-05","02:23:24",""
"1573997","8.3879","0.0008","12.8676","0.0013","9.7824","0.001","90","","111.619","0.003","90","","981.56","0.17","193","","193","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H18 N2 O3 S -","- C23 H18 N2 O3 S -","- C46 H36 N4 O6 S2 -","2","1","","Gu, Jun; Zhang, Li-Hong; Zhuang, Hong-Feng; He, Ying","Atroposelective [4+1] annulation for the synthesis of isotopic isoindolinones bearing both central and axial chirality.","Chemical science","2025","16","13","5735","5744","10.1039/d5sc00594a","","","1.54178","CuKα","","0.0247","0.0246","","","0.0596","0.0596","","","","","","1.076","","","","has coordinates","298802","2025-04-05","02:23:24",""
"1573998","8.3907","0.0004","12.8791","0.0006","9.7624","0.0004","90","","111.393","0.001","90","","982.28","0.08","193","","193","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H18 N2 O3 S -","- C23 H18 N2 O3 S -","- C46 H36 N4 O6 S2 -","2","1","","Gu, Jun; Zhang, Li-Hong; Zhuang, Hong-Feng; He, Ying","Atroposelective [4+1] annulation for the synthesis of isotopic isoindolinones bearing both central and axial chirality.","Chemical science","2025","16","13","5735","5744","10.1039/d5sc00594a","","","1.54178","CuKα","","0.0267","0.0266","","","0.0666","0.0667","","","","","","1.098","","","","has coordinates","298802","2025-04-05","02:23:24",""
"1573999","20.9199","0.0003","20.9199","0.0003","20.9199","0.0003","90","","90","","90","","9155.4","0.2","100","","100","","","","","","","","","7","P n -3 :2","-P 2ab 2bc 3","201","","","","- C10 H15.5 Ag2 F3 N O3.25 S -","- C10 H13 Ag2 F3 N O2 S -","- C240 H312 Ag48 F72 N24 O48 S24 -","24","1","","Chandrashekar, Priyanka; Karmakar, Arun; Aparna, Ravari Kandy; Singh, Laddi; Mondal, Pradip Kumar; Kundu, Subrata; Bhattacharyya, Kalishankar; Mandal, Sukhendu","Linker driven site-specific catalysis in atomically precise silver cluster assemblies.","Chemical science","2025","16","13","5726","5734","10.1039/d4sc08408j","","","0.71073","MoKα","","0.0341","0.0313","","","0.0694","0.0716","","","","","","1.032","","","","has coordinates","298800","2025-04-05","02:23:04",""
"1574000","25.337","0.005","24.666","0.005","19.661","0.004","90","","109.96","0.03","90","","11549","5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C45 H58 Ag6 F9 N4 O7 S3 -","- C45 H58 Ag6 F9 N4 O7 S3 -","- C360 H464 Ag48 F72 N32 O56 S24 -","8","1","","Chandrashekar, Priyanka; Karmakar, Arun; Aparna, Ravari Kandy; Singh, Laddi; Mondal, Pradip Kumar; Kundu, Subrata; Bhattacharyya, Kalishankar; Mandal, Sukhendu","Linker driven site-specific catalysis in atomically precise silver cluster assemblies.","Chemical science","2025","16","13","5726","5734","10.1039/d4sc08408j","","","0.7","Synchrotron","","0.0439","0.0399","","","0.1114","0.1144","","","","","","1.005","","","","has coordinates,has disorder","298800","2025-04-05","02:23:05",""
"1574001","26.994","0.005","14.021","0.003","29.259","0.006","90","","92.57","0.03","90","","11063","4","90","","90","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H52 Ag6 F9 N7 O7 S3 -","- C42 H52 Ag6 F9 N7 O7 S3 -","- C336 H416 Ag48 F72 N56 O56 S24 -","8","1","","Chandrashekar, Priyanka; Karmakar, Arun; Aparna, Ravari Kandy; Singh, Laddi; Mondal, Pradip Kumar; Kundu, Subrata; Bhattacharyya, Kalishankar; Mandal, Sukhendu","Linker driven site-specific catalysis in atomically precise silver cluster assemblies.","Chemical science","2025","16","13","5726","5734","10.1039/d4sc08408j","","","0.7","Synchrotron","","0.068","0.0626","","","0.186","0.1931","","","","","","1.068","","","","has coordinates,has disorder","298800","2025-04-05","02:23:05",""
"1574002","22.946","0.005","27.85","0.006","18.982","0.004","90","","90","","90","","12130","5","100","","100","","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C39 H45 Ag6 F9 N3 O6 S3 -","- C39 H45 Ag6 F9 N3 O6 S3 -","- C312 H360 Ag48 F72 N24 O48 S24 -","8","1","","Chandrashekar, Priyanka; Karmakar, Arun; Aparna, Ravari Kandy; Singh, Laddi; Mondal, Pradip Kumar; Kundu, Subrata; Bhattacharyya, Kalishankar; Mandal, Sukhendu","Linker driven site-specific catalysis in atomically precise silver cluster assemblies.","Chemical science","2025","16","13","5726","5734","10.1039/d4sc08408j","","","0.7","Synchrotron","","0.0993","0.0848","","","0.2608","0.2755","","","","","","1.112","","","","has coordinates,has disorder","298800","2025-04-05","02:23:05",""
"1574010","9.1568","0.0001","11.115","0.0001","26.1678","0.0003","90","","95.763","0.001","90","","2649.84","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H42 B N O -","- C30 H42 B N O -","- C120 H168 B4 N4 O4 -","4","1","","Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger","Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.","Chemical science","2025","16","13","5632","5639","10.1039/d5sc00154d","","x-ray","1.54184","CuKα","K-L~2,3~","0.0555","0.049","","","0.1338","0.1388","","","","","","1.06","","","","has coordinates","298805","2025-04-05","02:24:06",""
"1574011","14.2386","0.0001","14.0447","0.0001","15.3868","0.0001","90","","90","","90","","3077","0.04","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H50 B N O Se -","- C33 H50 B N O Se -","- C132 H200 B4 N4 O4 Se4 -","4","1","","Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger","Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.","Chemical science","2025","16","13","5632","5639","10.1039/d5sc00154d","","x-ray","1.54184","CuKα","K-L~2,3~","0.0371","0.035","","","0.095","0.0964","","","","","","1.108","","","","has coordinates,has disorder","298805","2025-04-05","02:24:07",""
"1574012","9.6984","0.0001","11.0467","0.0002","14.5864","0.0002","96.819","0.001","105.427","0.001","92.382","0.001","1491.38","0.04","100","2","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H51 B N P -","- C32 H51 B N P -","- C64 H102 B2 N2 P2 -","2","1","","Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger","Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.","Chemical science","2025","16","13","5632","5639","10.1039/d5sc00154d","","","1.54184","CuKα","","0.038","0.037","","","0.0993","0.1001","","","","","","1.037","","","","has coordinates","298805","2025-04-05","02:24:07",""
"1574013","10.7762","0.0002","16.8779","0.0003","24.5726","0.0003","81.439","0.001","86.226","0.001","88.794","0.001","4409.59","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H74 B Li2 N O4 Se -","- C45 H74 B Li2 N O4 Se -","- C180 H296 B4 Li8 N4 O16 Se4 -","4","2","","Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger","Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.","Chemical science","2025","16","13","5632","5639","10.1039/d5sc00154d","","x-ray","1.54184","CuKα","K-L~2,3~","0.0703","0.0577","","","0.153","0.1619","","","","","","1.066","","","","has coordinates,has disorder","298805","2025-04-05","02:24:07",""
"1574014","10.1565","0.0001","10.3469","0.0001","14.2245","0.0001","69.78","0.001","80.935","0.001","81.899","0.001","1379.14","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H84 B2 N2 Te2 -","- C58 H84 B2 N2 Te2 -","- C58 H84 B2 N2 Te2 -","1","0.5","","Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger","Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.","Chemical science","2025","16","13","5632","5639","10.1039/d5sc00154d","","x-ray","1.54184","CuKα","K-L~2,3~","0.0345","0.0334","","","0.0957","0.0965","","","","","","1.127","","","","has coordinates","298805","2025-04-05","02:24:07",""
"1574015","12.7992","0.0001","16.2783","0.0001","17.3761","0.0001","106.637","0.001","94.029","0.001","96.39","0.001","3427.31","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H88 B2 F7.79 N2 P0.96 Te2 -","- C64 H88 B2 F7.796 N2 P0.966 Te2 -","- C128 H176 B4 F15.592 N4 P1.932 Te4 -","2","1","","Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger","Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.","Chemical science","2025","16","13","5632","5639","10.1039/d5sc00154d","","x-ray","1.54184","CuKα","K-L~2,3~","0.0349","0.0323","","","0.0871","0.0884","","","","","","1.125","","","","has coordinates,has disorder","298805","2025-04-05","02:24:07",""
"1574016","18.006","0.0001","8.4637","0.0001","17.399","0.0001","90","","93.337","0.001","90","","2647.07","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H42 B N S -","- C29 H42 B N S -","- C116 H168 B4 N4 S4 -","4","1","","Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger","Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.","Chemical science","2025","16","13","5632","5639","10.1039/d5sc00154d","","x-ray","1.54184","CuKα","K-L~2,3~","0.0406","0.0373","","","0.0994","0.1016","","","","","","1.049","","","","has coordinates","298805","2025-04-05","02:24:07",""
"1574017","10.5609","0.0003","13.0367","0.0004","14.8835","0.0004","82.383","0.002","79.577","0.002","68.461","0.002","1869.7","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H116 B2 Li2 N2 O4 S2 -","- C74 H116 B2 Li2 N2 O4 S2 -","- C74 H116 B2 Li2 N2 O4 S2 -","1","0.5","","Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger","Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.","Chemical science","2025","16","13","5632","5639","10.1039/d5sc00154d","","x-ray","1.54184","CuKα","K-L~2,3~","0.0635","0.0586","","","0.162","0.1664","","","","","","1.048","","","","has coordinates,has disorder","298805","2025-04-05","02:24:07",""
"1574018","10.6514","0.0001","21.0348","0.0002","16.8392","0.0002","90","","106.025","0.001","90","","3626.22","0.07","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C70 H108 B2 Li4 N2 O3 S2 -","- C70 H108 B2 Li4 N2 O3 S2 -","- C140 H216 B4 Li8 N4 O6 S4 -","2","1","","Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger","Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.","Chemical science","2025","16","13","5632","5639","10.1039/d5sc00154d","","x-ray","1.54184","CuKα","K-L~2,3~","0.0294","0.0288","","","0.0759","0.0763","","","","","","1.022","","","","has coordinates,has disorder","298805","2025-04-05","02:24:07",""
"1574019","10.7784","0.0001","16.9121","0.0001","24.8131","0.0001","82.133","0.001","86.65","","88.61","","4472.24","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H74 B Li2 N O4 Te -","- C45 H74 B Li2 N O4 Te -","- C180 H296 B4 Li8 N4 O16 Te4 -","4","2","","Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger","Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.","Chemical science","2025","16","13","5632","5639","10.1039/d5sc00154d","","x-ray","1.54184","CuKα","K-L~2,3~","0.0285","0.0258","","","0.0693","0.0711","","","","","","1.074","","","","has coordinates,has disorder","298805","2025-04-05","02:24:07",""
"1574024","13.9391","0.0009","11.2303","0.0007","20.3661","0.0013","90","","104.938","0.002","90","","3080.4","0.3","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 B N3 -","- C18 H18 B N3 -","- C144 H144 B8 N24 -","8","2","","Parui, Retwik; Roy, Hirakjyoti; Meher, Niranjan; Ghosh, Siddhartha Sankar; Iyer, Parameswar Krishnan","Mechanistic investigation on cellular internalization triggering structure-induced conformational modulation of boron-nitrogen luminogens.","Chemical science","2025","16","14","6023","6034","10.1039/d4sc08296f","","","0.71073","MoKα","","0.0777","0.0543","","","0.1597","0.2005","","","","","","1.243","","","","has coordinates","298831","2025-04-05","02:32:31",""
"1574025","4.7299","0.0007","10.3015","0.0015","13.5889","0.0019","90","","96.628","0.004","90","","657.69","0.16","300","2","300","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H12 B Cl N2 -","- C16 H12 B Cl N2 -","- C32 H24 B2 Cl2 N4 -","2","1","","Parui, Retwik; Roy, Hirakjyoti; Meher, Niranjan; Ghosh, Siddhartha Sankar; Iyer, Parameswar Krishnan","Mechanistic investigation on cellular internalization triggering structure-induced conformational modulation of boron-nitrogen luminogens.","Chemical science","2025","16","14","6023","6034","10.1039/d4sc08296f","","","0.71073","MoKα","","0.0306","0.0289","","","0.076","0.0824","","","","","","1.07","","","","has coordinates","298831","2025-04-05","02:32:32",""
"1574026","22.7941","0.0012","22.7941","0.0012","5.0803","0.0004","90","","90","","90","","2639.6","0.3","273","2","273","2","","","","","","","","5","I -4","I -4","82","","","","- C16 H12 B F N2 -","- C16 H12 B F N2 -","- C128 H96 B8 F8 N16 -","8","1","","Parui, Retwik; Roy, Hirakjyoti; Meher, Niranjan; Ghosh, Siddhartha Sankar; Iyer, Parameswar Krishnan","Mechanistic investigation on cellular internalization triggering structure-induced conformational modulation of boron-nitrogen luminogens.","Chemical science","2025","16","14","6023","6034","10.1039/d4sc08296f","","","0.71073","MoKα","","0.1079","0.0604","","","0.1401","0.1786","","","","","","1.177","","","","has coordinates","298831","2025-04-05","02:32:32",""
"1574027","12.963","0.009","6.412","0.004","16.767","0.011","90","","92.356","0.019","90","","1392.5","1.6","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 B Br N2 -","- C16 H12 B Br N2 -","- C64 H48 B4 Br4 N8 -","4","1","","Parui, Retwik; Roy, Hirakjyoti; Meher, Niranjan; Ghosh, Siddhartha Sankar; Iyer, Parameswar Krishnan","Mechanistic investigation on cellular internalization triggering structure-induced conformational modulation of boron-nitrogen luminogens.","Chemical science","2025","16","14","6023","6034","10.1039/d4sc08296f","","","0.71073","MoKα","","0.0521","0.0428","","","0.1296","0.1379","","","","","","1.061","","","","has coordinates","298831","2025-04-05","02:32:32",""
"1574028","8.2259","0.0007","26.151","0.002","19.2586","0.0017","90","","95.282","0.002","90","","4125.2","0.6","273","2","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 B N3 -","- C17 H12 B N3 -","- C204 H144 B12 N36 -","12","3","","Parui, Retwik; Roy, Hirakjyoti; Meher, Niranjan; Ghosh, Siddhartha Sankar; Iyer, Parameswar Krishnan","Mechanistic investigation on cellular internalization triggering structure-induced conformational modulation of boron-nitrogen luminogens.","Chemical science","2025","16","14","6023","6034","10.1039/d4sc08296f","","","0.71073","MoKα","","0.1229","0.0849","","","0.1557","0.1811","","","","","","1.154","","","","has coordinates","298831","2025-04-05","02:32:32",""
"1574039","5.872","0.003","7.735","0.003","20.137","0.003","98.57","0.02","97.62","0.02","91.31","0.03","895.6","0.6","149.99","0.1","149.99","0.1","","","","","","","","5","P 1","P 1","1","","","","- C20 H17 Cl N2 O3 -","- C20 H17 Cl N2 O3 -","- C40 H34 Cl2 N4 O6 -","2","2","","Tian, Jiabao; Ling, Jiahao; Wang, Yanan; Zhou, Lei","Blue light-induced diazo cross-coupling: synthesis of allyldiazo compounds through reshuffling of functionalities.","Chemical science","2025","16","13","5701","5706","10.1039/d5sc00277j","","x-ray","1.54184","CuKα","","0.0641","0.0582","","","0.1722","0.1779","","","","","","1.079","","","","has coordinates","298803","2025-04-05","02:23:34",""
"1574040","7.6916","0.0004","5.838","0.0003","40.645","0.002","90","","90","","90","","1825.11","0.16","150","","150","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H17 Cl N2 O3 -","- C20 H17 Cl N2 O3 -","- C80 H68 Cl4 N8 O12 -","4","1","","Tian, Jiabao; Ling, Jiahao; Wang, Yanan; Zhou, Lei","Blue light-induced diazo cross-coupling: synthesis of allyldiazo compounds through reshuffling of functionalities.","Chemical science","2025","16","13","5701","5706","10.1039/d5sc00277j","","","1.34138","GaKα","","0.036","0.0312","","","0.0825","0.0851","","","","","","1.086","","","","has coordinates","298803","2025-04-05","02:23:34",""
"1574041","20.171","0.005","9.765","0.004","39.079","0.011","90","","99.308","0.011","90","","7596","4","150","","150","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H19 Cl N2 O3 -","- C21 H19 Cl N2 O3 -","- C336 H304 Cl16 N32 O48 -","16","4","","Tian, Jiabao; Ling, Jiahao; Wang, Yanan; Zhou, Lei","Blue light-induced diazo cross-coupling: synthesis of allyldiazo compounds through reshuffling of functionalities.","Chemical science","2025","16","13","5701","5706","10.1039/d5sc00277j","","","1.34138","GaKα","","0.0745","0.0588","","","0.1624","0.1768","","","","","","1.088","","","","has coordinates","298803","2025-04-05","02:23:34",""
"1574042","9.9528","0.0003","10.6897","0.0003","16.8353","0.0005","90","","90","","90","","1791.15","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N O P -","- C18 H22 N O P -","- C72 H88 N4 O4 P4 -","4","1","","Zhang, Jialiang; Guo, Jiajia; Xu, Ruhui; Zheng, Di; Lian, Kai; Zhang, Zhaoxia; Cao, Shanshan; Jiang, Zhiyong","Asymmetric copper-catalyzed hydrophosphinylation of ethynylazaarenes to access <i>P</i>-chiral 2-azaaryl-ethylphosphine oxides.","Chemical science","2025","16","14","5957","5966","10.1039/d5sc00358j","","x-ray","1.54184","CuKα","","0.0546","0.0506","","","0.135","0.1411","","","","","","1.058","","","","has coordinates","298830","2025-04-05","02:32:18",""
"1574043","7.5983","0.0002","14.6061","0.0003","25.287","0.0006","90","","90","","90","","2806.39","0.11","296.15","","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","orthorhombic","","- C31 H48 O4 -","- C31 H48 O4 -","- C124 H192 O16 -","4","1","","Dethe, Dattatraya H.; Siddiqui, Salman A.; Singha, Chirantan","Biomimetic syntheses of kadcoccitane H and kadcotrione C methyl ester.","Chemical science","2025","16","14","6099","6103","10.1039/d5sc00669d","","","0.71073","MoKα","","0.0518","0.0457","","","0.1201","0.124","","","","","","1.0373","","","","has coordinates","298827","2025-04-05","02:30:42",""
"1574044","12.1955","0.0007","27.6141","0.0012","7.7042","0.0004","90","","93.382","0.004","90","","2590","0.2","120","0.1","120","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9.82 H5.45 Ce0.36 O2.18 -","- C9.81818 H5.45455 Ce0.363636 O2.18182 -","- C108 H60 Ce4 O24 -","11","2.75","","Gómez-Muñoz, Iván; Hu, Ziqi; Vitórica-Yrezábal, Iñigo J; Coronado, Eugenio; Mínguez Espallargas, Guillermo","Implementing magnetic properties on demand with a dynamic lanthanoid-organic framework.","Chemical science","2025","16","6","2879","2885","10.1039/d4sc07042a","","x-ray","0.71073","MoKα","","0.1586","0.0745","","","0.1236","0.161","","","","","","1.032","","","","has coordinates","297953","2025-03-04","00:56:23",""
"1574045","12.1008","0.0004","27.7464","0.0008","7.8237","0.0002","90","","93.673","0.003","90","","2621.44","0.13","120.15","","120.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H15.8 La O6.4 -","- C27 H15 La O6 -","- C108 H60 La4 O24 -","4","1","","Gómez-Muñoz, Iván; Hu, Ziqi; Vitórica-Yrezábal, Iñigo J; Coronado, Eugenio; Mínguez Espallargas, Guillermo","Implementing magnetic properties on demand with a dynamic lanthanoid-organic framework.","Chemical science","2025","16","6","2879","2885","10.1039/d4sc07042a","","x-ray","0.71073","MoKα","","0.1508","0.0956","","","0.2867","0.3031","","","","","","1.122","","","","has coordinates","297953","2025-03-04","00:56:25",""
"1574046","8.0212","0.0005","26.89","0.002","16.3817","0.0018","90","","92.297","0.008","90","","3530.5","0.5","120","0.1","120","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H37 Dy N3 O9.5 -","- C36 H37 Dy N3 O9.5 -","- C144 H148 Dy4 N12 O38 -","4","2","","Gómez-Muñoz, Iván; Hu, Ziqi; Vitórica-Yrezábal, Iñigo J; Coronado, Eugenio; Mínguez Espallargas, Guillermo","Implementing magnetic properties on demand with a dynamic lanthanoid-organic framework.","Chemical science","2025","16","6","2879","2885","10.1039/d4sc07042a","","x-ray","0.71073","MoKα","","0.0735","0.0505","","","0.0734","0.0785","","","","","","0.79","","","","has coordinates","297953","2025-03-04","00:56:25",""
"1574047","16.7495","0.0003","26.5927","0.0006","8.4965","0.0002","90","","95.014","0.002","90","","3769.98","0.14","119.8","0.3","119.8","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35.26 H34.26 La N2.75 O8.75 -","- C32.25 H27.25 La N1.75 O7.75 -","- C129 H109 La4 N7 O31 -","4","1","","Gómez-Muñoz, Iván; Hu, Ziqi; Vitórica-Yrezábal, Iñigo J; Coronado, Eugenio; Mínguez Espallargas, Guillermo","Implementing magnetic properties on demand with a dynamic lanthanoid-organic framework.","Chemical science","2025","16","6","2879","2885","10.1039/d4sc07042a","","x-ray","0.71073","MoKα","","0.1155","0.0811","","","0.1908","0.2083","","","","","","1.047","","","","has coordinates,has disorder","297953","2025-03-04","00:56:27",""
"1574048","15.0013","0.0006","27.7449","0.0009","16.1774","0.0009","90","","97.287","0.004","90","","6678.8","0.5","119.5","0.8","119.5","0.8","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33.3 H29.7 La N2.1 O8.1 -","- C31.5 H25.5 La N1.5 O7.5 -","- C252 H204 La8 N12 O60 -","8","2","","Gómez-Muñoz, Iván; Hu, Ziqi; Vitórica-Yrezábal, Iñigo J; Coronado, Eugenio; Mínguez Espallargas, Guillermo","Implementing magnetic properties on demand with a dynamic lanthanoid-organic framework.","Chemical science","2025","16","6","2879","2885","10.1039/d4sc07042a","","x-ray","0.71073","MoKα","","0.1347","0.0807","","","0.2073","0.231","","","","","","0.978","","","","has coordinates,has disorder","297953","2025-03-04","00:56:30",""
"1574049","15.0438","0.0003","28.0476","0.0006","16.0831","0.0004","90","","97.259","0.002","90","","6731.8","0.3","119.9","0.8","119.9","0.8","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H27.5 N1.5 O8.5 Pr -","- C31.5 H25.5 N1.5 O7.5 Pr -","- C252 H204 N12 O60 Pr8 -","8","2","","Gómez-Muñoz, Iván; Hu, Ziqi; Vitórica-Yrezábal, Iñigo J; Coronado, Eugenio; Mínguez Espallargas, Guillermo","Implementing magnetic properties on demand with a dynamic lanthanoid-organic framework.","Chemical science","2025","16","6","2879","2885","10.1039/d4sc07042a","","x-ray","0.71073","MoKα","","0.0755","0.0503","","","0.1059","0.1209","","","","","","1.052","","","","has coordinates,has disorder","297953","2025-03-04","00:56:31",""
"1574050","15.0927","0.0003","27.9263","0.0005","16.165","0.0003","90","","97.249","0.002","90","","6758.8","0.2","120","0.1","120","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32.55 H27.95 Ce N1.85 O7.85 -","- C31.5 H25.5 Ce N1.5 O7.5 -","- C252 H204 Ce8 N12 O60 -","8","2","","Gómez-Muñoz, Iván; Hu, Ziqi; Vitórica-Yrezábal, Iñigo J; Coronado, Eugenio; Mínguez Espallargas, Guillermo","Implementing magnetic properties on demand with a dynamic lanthanoid-organic framework.","Chemical science","2025","16","6","2879","2885","10.1039/d4sc07042a","","x-ray","0.71073","MoKα","","0.0734","0.047","","","0.1102","0.1214","","","","","","1.046","","","","has coordinates,has disorder","297953","2025-03-04","00:56:33",""
"1574051","15.4232","0.0006","20.5544","0.0009","32.285","0.0011","90","","94.546","0.004","90","","10202.6","0.7","119.99","0.1","119.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28.32 H21.49 La N0.44 O8.15 -","- C28.3035 H18.6725 La N0.4345 O6.75 -","- C452.856 H298.76 La16 N6.952 O108 -","16","4","","Gómez-Muñoz, Iván; Hu, Ziqi; Vitórica-Yrezábal, Iñigo J; Coronado, Eugenio; Mínguez Espallargas, Guillermo","Implementing magnetic properties on demand with a dynamic lanthanoid-organic framework.","Chemical science","2025","16","6","2879","2885","10.1039/d4sc07042a","","x-ray","1.54184","CuKα","","0.136","0.1061","","","0.2785","0.3143","","","","","","1.216","","","","has coordinates,has disorder","297953","2025-03-04","00:56:34",""
"1574052","15.3286","0.0003","20.5857","0.0004","32.2184","0.0004","90","","94.423","0.001","90","","10136.2","0.3","119.4","0.9","119.4","0.9","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28.5 H19 Ce N0.5 O6.75 -","- C28.5 H19 Ce N0.5 O6.75 -","- C456 H304 Ce16 N8 O108 -","16","4","","Gómez-Muñoz, Iván; Hu, Ziqi; Vitórica-Yrezábal, Iñigo J; Coronado, Eugenio; Mínguez Espallargas, Guillermo","Implementing magnetic properties on demand with a dynamic lanthanoid-organic framework.","Chemical science","2025","16","6","2879","2885","10.1039/d4sc07042a","","x-ray","0.71073","MoKα","","0.1181","0.0795","","","0.1942","0.2288","","","","","","1.022","","","","has coordinates,has disorder","297953","2025-03-04","00:56:34",""
"1574053","8.6278","0.0004","12.3083","0.0006","10.9519","0.0005","90","","95.711","0.003","90","","1157.25","0.09","273","2","273","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H27 N O2 -","- C30 H27 N O2 -","- C60 H54 N2 O4 -","2","1","","He, Ze-Liang; Li, Li; Chen, Zhi-Chao; Du, Wei; Chen, Ying-Chun","Palladium-catalysed asymmetric cascade transformations of 4-alken-2-ynyl carbonates to construct complex frameworks.","Chemical science","2025","16","7","3124","3129","10.1039/d4sc07823c","","","1.54178","CuKα","","0.0437","0.038","","","0.0971","0.1013","","","","","","1.077","","","","has coordinates","297954","2025-03-04","00:58:52",""
"1574054","7.4687","0.0015","12.636","0.002","14.057","0.003","86.841","0.007","76.742","0.007","75.308","0.007","1249","0.4","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H28 N2 O4 S -","- C29 H28 N2 O4 S -","- C58 H56 N4 O8 S2 -","2","1","","He, Ze-Liang; Li, Li; Chen, Zhi-Chao; Du, Wei; Chen, Ying-Chun","Palladium-catalysed asymmetric cascade transformations of 4-alken-2-ynyl carbonates to construct complex frameworks.","Chemical science","2025","16","7","3124","3129","10.1039/d4sc07823c","","","0.71073","MoKα","","0.1265","0.0965","","","0.2626","0.2881","","","","","","1.113","","","","has coordinates","297954","2025-03-04","00:58:53",""
"1574055","9.9196","0.001","9.9973","0.0009","11.8824","0.0011","91.791","0.004","104.104","0.004","102.384","0.003","1111.91","0.18","227","2","227","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 F3 N O2 -","- C28 H20 F3 N O2 -","- C56 H40 F6 N2 O4 -","2","1","","He, Ze-Liang; Li, Li; Chen, Zhi-Chao; Du, Wei; Chen, Ying-Chun","Palladium-catalysed asymmetric cascade transformations of 4-alken-2-ynyl carbonates to construct complex frameworks.","Chemical science","2025","16","7","3124","3129","10.1039/d4sc07823c","","","0.71073","MoKα","","0.1065","0.0703","","","0.1888","0.2161","","","","","","1.055","","","","has coordinates","297954","2025-03-04","00:58:53",""
"1574056","12.4257","0.0006","12.4257","0.0006","42.988","0.004","90","","90","","90","","6637.3","0.8","303","2","303","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C36 H32 N2 O3 S -","- C36 H32 N2 O3 S -","- C288 H256 N16 O24 S8 -","8","1","","He, Ze-Liang; Li, Li; Chen, Zhi-Chao; Du, Wei; Chen, Ying-Chun","Palladium-catalysed asymmetric cascade transformations of 4-alken-2-ynyl carbonates to construct complex frameworks.","Chemical science","2025","16","7","3124","3129","10.1039/d4sc07823c","","","0.71073","MoKα","","0.1202","0.0542","","","0.1043","0.1296","","","","","","0.985","","","","has coordinates","297954","2025-03-04","00:58:53",""
"1574057","21.731","0.004","9.151","0.0015","34.748","0.007","90","","107.204","0.009","90","","6601","2","304","2","304","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C43 H34 N2 O4 -","- C43 H34 N2 O4 -","- C344 H272 N16 O32 -","8","1","","He, Ze-Liang; Li, Li; Chen, Zhi-Chao; Du, Wei; Chen, Ying-Chun","Palladium-catalysed asymmetric cascade transformations of 4-alken-2-ynyl carbonates to construct complex frameworks.","Chemical science","2025","16","7","3124","3129","10.1039/d4sc07823c","","","0.71073","MoKα","","0.1959","0.0831","","","0.1892","0.247","","","","","","1.025","","","","has coordinates","297954","2025-03-04","00:58:53",""
"1574060","6.35385","0.00012","7.76034","0.00015","16.0686","0.0003","92.9757","0.0016","90.6187","0.0017","101.846","0.0016","774.2","0.03","173","","173","","","","","","","","","4","P 1","P 1","1","","methyl 4-((2R,3R)-2-(dimethoxyphosphoryl)-3-methyl-4-oxooxetan-2-yl)benzoate","","- C14 H17 O7 P -","- C14 H17 O7 P -","- C28 H34 O14 P2 -","2","2","","Platt, Ffion M.; Wang, Yihong; Cordes, David B.; McKay, Aidan P.; Slawin, Alexandra M. Z.; Panchal, Heena; Smith, Andrew D.","Isothiourea-catalysed enantioselective synthesis of phosphonate-functionalised β-lactones","Chemical Science","2025","16","16","6828","6836","10.1039/D5SC00322A","","x-ray","0.71073","MoKα","","0.0432","0.0368","","","0.0851","0.0876","","","","","","1.025","","","","has coordinates","300604","2025-07-06","14:16:08",""
"1574061","6.279","0.0002","8.1645","0.0003","30.231","0.001","90","","90","","90","","1549.79","0.09","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","dimethyl ((2R,3R)-3-methyl-2-naphthalen-2-yl-4-oxooxetan-2-yl)phosphonate","","- C16 H17 O5 P -","- C16 H17 O5 P -","- C64 H68 O20 P4 -","4","1","","Platt, Ffion M.; Wang, Yihong; Cordes, David B.; McKay, Aidan P.; Slawin, Alexandra M. Z.; Panchal, Heena; Smith, Andrew D.","Isothiourea-catalysed enantioselective synthesis of phosphonate-functionalised β-lactones","Chemical Science","2025","16","16","6828","6836","10.1039/D5SC00322A","","x-ray","1.54184","CuKα","","0.0473","0.0446","","","0.1114","0.1135","","","","","","1.01","","","","has coordinates","300604","2025-07-06","14:16:12",""
"1574062","10.3633","0.0005","7.8457","0.0003","12.019","0.0006","90","","110.666","0.006","90","","914.35","0.08","125","","125","","","","","","","","","5","P 1 21 1","P 2yb","4","","dimethyl ((2R,3R)-3-(benzo[b]thiophen-3-yl)-4-oxo-2-phenyloxetan-2-yl)phosphonate","","- C19 H17 O5 P S -","- C19 H17 O5 P S -","- C38 H34 O10 P2 S2 -","2","1","","Platt, Ffion M.; Wang, Yihong; Cordes, David B.; McKay, Aidan P.; Slawin, Alexandra M. Z.; Panchal, Heena; Smith, Andrew D.","Isothiourea-catalysed enantioselective synthesis of phosphonate-functionalised β-lactones","Chemical Science","2025","16","16","6828","6836","10.1039/D5SC00322A","","x-ray","1.54184","CuKα","","0.0745","0.0621","","","0.1613","0.1855","","","","","","1.138","","","","has coordinates","300604","2025-07-06","14:16:22",""
"1574063","12.3931","0.0003","13.0388","0.0003","22.218","0.0007","75.614","0.002","85.704","0.002","77.205","0.002","3390.55","0.16","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C84 H69 Cs4 O3 -","- C84 H69 Cs4 O3 -","- C168 H138 Cs8 O6 -","2","1","","Shen, Yongbing; Cui, Mengxing; Zhang, Haitao; Guo, Hanjie; Nakamura, Jumpei G.; Embs, Jan Peter; Zhao, Jinkui; Yamashita, Masahiro; Fu, Zhendong","Signatures of the quantum spin liquid state in triangular-based zig-zag polyaromatic hydrocarbon radicals","Chemical Science","2025","16","15","6345","6354","10.1039/D4SC08462D","","","0.71073","MoKα","","0.0578","0.0516","","","0.1345","0.1391","","","","","","1.057","","","","has coordinates","300634","2025-07-06","14:31:09",""
"1574064","7.5573","0.0008","15.3477","0.0016","16.6274","0.0018","90","","94.566","0.002","90","","1922.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Cd2 Cl5 N O2 -","- C12 H18 Cd2 Cl5 N O2 -","- C48 H72 Cd8 Cl20 N4 O8 -","4","1","","Zhang, Ke; Qi, Zhikai; Zhang, Nan; Zhao, Xingxing; Fan, Yanli; Sun, Long; Zhou, Guojun; Li, Shi-Li; Zhang, Xian-Ming","Efficient energy transfer from organic triplet states to Mn<sup>2+</sup> dopants for dynamic tunable multicolor afterglow in 1D hybrid cadmium chloride.","Chemical science","2025","16","14","6104","6113","10.1039/d4sc08718f","","x-ray","0.71073","MoKα","","0.0597","0.0474","","","0.1323","0.1386","","","","","","1.191","","","","has coordinates","298789","2025-04-05","02:20:02",""
"1574073","23.2436","0.0003","18.9817","0.0003","13.9956","0.0002","90","","90","","90","","6174.9","0.15","150","2","150","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C32 H56 B10 Ga I2 N4 Si2 -","- C32 H56 B10 Ga I2 N4 Si2 -","- C128 H224 B40 Ga4 I8 N16 Si8 -","4","0.25","","Saddington, Artemis; Yao, Shenglai; Lorent, Christian; Driess, Matthias","Redox non-innocent bis-silylene aluminium complexes with a carborane backbone","Chemical Science","2025","16","15","6383","6391","10.1039/D5SC01104C","","","0.71073","MoKα","","0.0418","0.038","","","0.1049","0.1084","","","","","","1.065","","","","has coordinates","300637","2025-07-06","14:32:02",""
"1574074","12.2257","0.0003","13.2295","0.0004","17.0355","0.0007","109.939","0.003","102.833","0.003","100.765","0.003","2419.65","0.16","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H56 Al2 B10 I3 N4 Si2 -","- C32 H56 Al2 B10 I3 N4 Si2 -","- C64 H112 Al4 B20 I6 N8 Si4 -","2","1","","Saddington, Artemis; Yao, Shenglai; Lorent, Christian; Driess, Matthias","Redox non-innocent bis-silylene aluminium complexes with a carborane backbone","Chemical Science","2025","16","15","6383","6391","10.1039/D5SC01104C","","","1.54184","CuKα","","0.0572","0.0482","","","0.125","0.1349","","","","","","1.044","","","","has coordinates","300637","2025-07-06","14:32:03",""
"1574075","14.6482","0.0007","14.829","0.0007","18.4781","0.001","105.669","0.004","106.625","0.005","100.731","0.004","3548.9","0.4","150.2","0.4","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H72 Al B10 I2 N4 Si2 -","- C46 H72 Al B10 I2 N4 Si2 -","- C92 H144 Al2 B20 I4 N8 Si4 -","2","1","","Saddington, Artemis; Yao, Shenglai; Lorent, Christian; Driess, Matthias","Redox non-innocent bis-silylene aluminium complexes with a carborane backbone","Chemical Science","2025","16","15","6383","6391","10.1039/D5SC01104C","","","1.54184","CuKα","","0.0753","0.0534","","","0.1353","0.1537","","","","","","0.975","","","","has coordinates","300637","2025-07-06","14:32:03",""
"1574076","14.7194","0.0003","30.6034","0.0007","15.2868","0.0003","90","","94.863","0.002","90","","6861.4","0.3","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C48 H96 Al B10 I2 K N4 O4 Si2 -","- C48 H96 Al B10 I2 K N4 O4 Si2 -","- C192 H384 Al4 B40 I8 K4 N16 O16 Si8 -","4","1","","Saddington, Artemis; Yao, Shenglai; Lorent, Christian; Driess, Matthias","Redox non-innocent bis-silylene aluminium complexes with a carborane backbone","Chemical Science","2025","16","15","6383","6391","10.1039/D5SC01104C","","","1.54184","CuKα","","0.0664","0.0491","","","0.1228","0.1372","","","","","","1.01","","","","has coordinates","300637","2025-07-06","14:32:03",""
"1574077","14.4094","0.0004","17.2943","0.0004","23.7145","0.0006","90","","92.257","0.003","90","","5905.1","0.3","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H56 Al2 B10 I6 N4 Si2 -","- C32 H56 Al2 B10 I6 N4 Si2 -","- C128 H224 Al8 B40 I24 N16 Si8 -","4","1","","Saddington, Artemis; Yao, Shenglai; Lorent, Christian; Driess, Matthias","Redox non-innocent bis-silylene aluminium complexes with a carborane backbone","Chemical Science","2025","16","15","6383","6391","10.1039/D5SC01104C","","","1.54184","CuKα","","0.0787","0.0489","","","0.1138","0.1288","","","","","","1.02","","","","has coordinates,has disorder","300637","2025-07-06","14:32:03",""
"1574078","21.7751","0.001","15.1015","0.0003","24.8744","0.0009","90","","109.723","0.004","90","","7699.8","0.5","150","0.1","150.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C58 H100 Al B10 K N4 O2 Si2 -","- C58 H100 Al B10 K N4 O2 Si2 -","- C232 H400 Al4 B40 K4 N16 O8 Si8 -","4","1","","Saddington, Artemis; Yao, Shenglai; Lorent, Christian; Driess, Matthias","Redox non-innocent bis-silylene aluminium complexes with a carborane backbone","Chemical Science","2025","16","15","6383","6391","10.1039/D5SC01104C","","","1.54184","CuKα","","0.1177","0.0845","","","0.2126","0.2445","","","","","","1.021","","","","has coordinates,has disorder","300637","2025-07-06","14:32:03",""
"1574079","11.2341","0.0005","13.2688","0.0006","17.1255","0.0008","67.622","0.001","89.72","0.001","65.448","0.001","2111.14","0.17","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 N2 Pt S -","- C26 H18 N2 Pt S -","- C104 H72 N8 Pt4 S4 -","4","2","","Tong, Ka-Ming; Toigo, Jessica; Wolf, Michael O.","Deep-blue phosphorescence from platinum(ii) bis(acetylide) complexes with sulfur-bridged dipyridyl ligands.","Chemical science","2025","16","14","5948","5956","10.1039/d4sc08205b","","","0.71073","MoKα","","0.0173","0.0139","","","0.0304","0.0314","","","","","","1.041","","","","has coordinates","298786","2025-04-05","02:18:41",""
"1574080","10.8444","0.001","11.2925","0.001","18.702","0.0017","90","","96.706","0.002","90","","2274.6","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 N2 Pt S -","- C28 H22 N2 Pt S -","- C112 H88 N8 Pt4 S4 -","4","1","","Tong, Ka-Ming; Toigo, Jessica; Wolf, Michael O.","Deep-blue phosphorescence from platinum(ii) bis(acetylide) complexes with sulfur-bridged dipyridyl ligands.","Chemical science","2025","16","14","5948","5956","10.1039/d4sc08205b","","","0.71073","MoKα","","0.0151","0.0133","","","0.0286","0.029","","","","","","1.104","","","","has coordinates","298786","2025-04-05","02:18:42",""
"1574081","7.9676","0.0005","11.994","0.0007","12.5963","0.0007","117.424","0.001","97.964","0.002","90.392","0.002","1054.74","0.11","100","","100","","","","","","","","","6","P -1","-P 1","2","","C26H18N2OPtS","","- C26 H18 N2 O Pt S -","- C26 H18 N2 O Pt S -","- C52 H36 N4 O2 Pt2 S2 -","2","1","","Tong, Ka-Ming; Toigo, Jessica; Wolf, Michael O.","Deep-blue phosphorescence from platinum(ii) bis(acetylide) complexes with sulfur-bridged dipyridyl ligands.","Chemical science","2025","16","14","5948","5956","10.1039/d4sc08205b","","","0.71073","MoKα","","0.0227","0.0191","","","0.0396","0.0403","","","","","","1.076","","","","has coordinates","298786","2025-04-05","02:18:42",""
"1574082","10.5828","0.0008","26.522","0.002","9.987","0.0008","90","","99.343","0.002","90","","2765.9","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Cl2 N2 O2 Pt S -","- C30 H26 Cl2 N2 O2 Pt S -","- C120 H104 Cl8 N8 O8 Pt4 S4 -","4","1","","Tong, Ka-Ming; Toigo, Jessica; Wolf, Michael O.","Deep-blue phosphorescence from platinum(ii) bis(acetylide) complexes with sulfur-bridged dipyridyl ligands.","Chemical science","2025","16","14","5948","5956","10.1039/d4sc08205b","","","0.71073","MoKα","","0.0329","0.0229","","","0.0378","0.0398","","","","","","1.058","","","","has coordinates","298786","2025-04-05","02:18:42",""
"1574083","9.2869","0.0007","12.7332","0.0009","21.2615","0.0015","89.275","0.002","82.262","0.002","71.515","0.002","2361.6","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H22 N2 O Pt S -","- C28 H22 N2 O Pt S -","- C112 H88 N8 O4 Pt4 S4 -","4","2","","Tong, Ka-Ming; Toigo, Jessica; Wolf, Michael O.","Deep-blue phosphorescence from platinum(ii) bis(acetylide) complexes with sulfur-bridged dipyridyl ligands.","Chemical science","2025","16","14","5948","5956","10.1039/d4sc08205b","","","0.71073","MoKα","","0.0269","0.021","","","0.0454","0.0473","","","","","","1.036","","","","has coordinates","298786","2025-04-05","02:18:42",""
"1574084","8.94497","0.00013","7.9358","0.00013","12.43051","0.00018","90","","93.4456","0.0015","90","","880.79","0.02","169.99","0.1","169.99","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","catena-[bis(pyrazine)-tetrahydrofurane-diiodo-samarium(iii)]","","- C12 H16 I2 N4 O Sm -","- C12 H16 I2 N4 O Sm -","- C24 H32 I4 N8 O2 Sm2 -","2","0.5","","Viborg, Anton; Dunstan, Maja A.; Yutronkie, Nathan J.; Chanda, Amit; Trier, Felix; Pryds, Nini; Wilhelm, Fabrice; Rogalev, Andrei; Pinkowicz, Dawid; Pedersen, Kasper S.","Disentangling chemical pressure and superexchange effects in lanthanide–organic valence tautomerism","Chemical Science","2025","16","16","6879","6885","10.1039/D5SC01246E","","x-ray","1.54184","CuKα","","0.055","0.0504","","","0.1331","0.14","","","","","","1.041","","","","has coordinates,has disorder","300609","2025-07-06","14:18:15",""
"1574085","9.0249","0.0003","8.0968","0.0003","12.6429","0.0004","90","","94.567","0.003","90","","920.92","0.05","230","0.1","230","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","catena-[bis(pyrazine)-tetrahydrofuran-diiodo-samarium(ii)","","- C12 H16 I2 N4 O Sm -","- C12 H16 I2 N4 O Sm -","- C24 H32 I4 N8 O2 Sm2 -","2","0.5","","Viborg, Anton; Dunstan, Maja A.; Yutronkie, Nathan J.; Chanda, Amit; Trier, Felix; Pryds, Nini; Wilhelm, Fabrice; Rogalev, Andrei; Pinkowicz, Dawid; Pedersen, Kasper S.","Disentangling chemical pressure and superexchange effects in lanthanide–organic valence tautomerism","Chemical Science","2025","16","16","6879","6885","10.1039/D5SC01246E","","x-ray","1.54184","CuKα","","0.0567","0.0499","","","0.1382","0.1494","","","","","","1.044","","","","has coordinates,has disorder","300609","2025-07-06","14:18:16",""
"1574086","9.0739","0.0001","8.2039","0.0001","12.7161","0.0001","90","","94.74","0.001","90","","943.366","0.017","294.99","0.1","294.99","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","catena-[bis(pyrazine)-tetrahydrofuran-diiodo-samarium(ii)]","","- C12 H16 I2 N4 O Sr -","- C12 H16 I2 N4 O Sr -","- C24 H32 I4 N8 O2 Sr2 -","2","0.5","","Viborg, Anton; Dunstan, Maja A.; Yutronkie, Nathan J.; Chanda, Amit; Trier, Felix; Pryds, Nini; Wilhelm, Fabrice; Rogalev, Andrei; Pinkowicz, Dawid; Pedersen, Kasper S.","Disentangling chemical pressure and superexchange effects in lanthanide–organic valence tautomerism","Chemical Science","2025","16","16","6879","6885","10.1039/D5SC01246E","","x-ray","1.54184","CuKα","","0.0365","0.0364","","","0.1039","0.1042","","","","","","1.087","","","","has coordinates,has disorder","300609","2025-07-06","14:18:17",""
"1574087","8.9739","0.0001","7.9879","0.0001","12.6087","0.0002","90","","94.22","0.002","90","","901.37","0.02","294.99","0.1","294.99","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","catena-[bis(pyrazine)-tetrahydrofuran-diiodo-calcium(ii)]","","- C12 H16 Ca I2 N4 O -","- C12 H16 Ca I2 N4 O -","- C24 H32 Ca2 I4 N8 O2 -","2","0.5","","Viborg, Anton; Dunstan, Maja A.; Yutronkie, Nathan J.; Chanda, Amit; Trier, Felix; Pryds, Nini; Wilhelm, Fabrice; Rogalev, Andrei; Pinkowicz, Dawid; Pedersen, Kasper S.","Disentangling chemical pressure and superexchange effects in lanthanide–organic valence tautomerism","Chemical Science","2025","16","16","6879","6885","10.1039/D5SC01246E","","x-ray","1.54184","CuKα","","0.0333","0.0276","","","0.0658","0.0697","","","","","","1.034","","","","has coordinates,has disorder","300609","2025-07-06","14:18:25",""
"1574088","9.07712","0.00019","8.15614","0.00016","12.7219","0.0003","90","","94.6744","0.0019","90","","938.72","0.03","295","0.1","295","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","catena-[bis(pyrazine)-tetrahydrofuran-diiodo-samarium(ii)]","","- C12 H16 I2 N4 O Sm -","- C12 H16 I2 N4 O Sm -","- C24 H32 I4 N8 O2 Sm2 -","2","0.5","","Viborg, Anton; Dunstan, Maja A.; Yutronkie, Nathan J.; Chanda, Amit; Trier, Felix; Pryds, Nini; Wilhelm, Fabrice; Rogalev, Andrei; Pinkowicz, Dawid; Pedersen, Kasper S.","Disentangling chemical pressure and superexchange effects in lanthanide–organic valence tautomerism","Chemical Science","2025","16","16","6879","6885","10.1039/D5SC01246E","","x-ray","1.54184","CuKα","","0.0405","0.0355","","","0.0948","0.1024","","","","","","1.033","","","","has coordinates,has disorder","300609","2025-07-06","14:18:26",""
"1574089","14.2539","0.0012","17.2346","0.0016","17.3593","0.0017","106.528","0.003","102.26","0.003","90.213","0.003","3985.7","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","salt [1](I)2","","- C39 H42 I2 N6 O4 -","- C39 H42 I2 N6 O4 -","- C156 H168 I8 N24 O16 -","4","2","","Martínez-Vivas, Sebastián; Poyatos, Macarena; Peris, Eduardo","Fluoride-induced redox-switchable behaviour of a palladium(ii)/(iv) couple","Chemical Science","2025","16","15","6257","6264","10.1039/D4SC08203F","","","0.71073","MoKα","","0.0799","0.0706","","","0.1776","0.1843","","","","","","1.088","","","","has coordinates","300638","2025-07-06","14:33:42",""
"1574090","11.0685","0.0006","27.3218","0.001","14.8974","0.0006","90","","110.129","0.005","90","","4230","0.4","270","5","270","5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","complex 7","","- C40 H42 Br3 Cl2 N6 O4 Pd -","- C40 H42 Br3 Cl2 N6 O4 Pd -","- C160 H168 Br12 Cl8 N24 O16 Pd4 -","4","1","","Martínez-Vivas, Sebastián; Poyatos, Macarena; Peris, Eduardo","Fluoride-induced redox-switchable behaviour of a palladium(ii)/(iv) couple","Chemical Science","2025","16","15","6257","6264","10.1039/D4SC08203F","","x-ray","1.54184","CuKα","","0.1157","0.0791","","","0.213","0.2549","","","","","","1.04","","","","has coordinates","300638","2025-07-06","14:33:43",""
"1574091","13.7465","0.0005","13.7475","0.0005","21.0944","0.0009","72.438","0.004","78.222","0.004","81.747","0.003","3706.2","0.3","200","0.14","200","0.14","","","","","","","","8","P -1","-P 1","2","","str2238","","- C76 H55 B Cl F26 N7 O4 Pd -","- C76 H55 B Cl F26 N7 O4 Pd -","- C152 H110 B2 Cl2 F52 N14 O8 Pd2 -","2","1","","Martínez-Vivas, Sebastián; Poyatos, Macarena; Peris, Eduardo","Fluoride-induced redox-switchable behaviour of a palladium(ii)/(iv) couple","Chemical Science","2025","16","15","6257","6264","10.1039/D4SC08203F","","x-ray","1.54184","CuKα","","0.1109","0.0799","","","0.2072","0.2348","","","","","","1.032","","","","has coordinates","300638","2025-07-06","14:33:43",""
"1574092","24.626","0.002","24.7677","0.0019","25.97","0.002","69.586","0.002","75.581","0.002","63.458","0.002","13198.3","1.8","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C138 H96 N12 Pd3 -","- C138 H96 N12 Pd3 -","- C276 H192 N24 Pd6 -","2","1","","Yu, Hao; Guo, Ziteng; Tang, Jie; Han, Ningxu; Shi, Junjuan; Li, Meng; Zhang, Houyu; Wang, Ming","Configurational control of low-symmetry heteroleptic metal-organic cages with asymmetric ligands.","Chemical science","2025","16","14","6114","6120","10.1039/d4sc08647c","","","0.67016","Synchrotron","","0.1559","0.1268","","","0.374","0.4083","","","","","","1.453","","","","has coordinates,has disorder","298788","2025-04-05","02:19:42",""
"1574093","26.235","0.0017","26.235","0.0017","46.357","0.004","90","","90","","120","","27632","3","273.15","","273.15","","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C282 H204 N24 Pd6 -","- C282 H204 N24 Pd6 -","- C564 H408 N48 Pd12 -","2","0.166667","","Yu, Hao; Guo, Ziteng; Tang, Jie; Han, Ningxu; Shi, Junjuan; Li, Meng; Zhang, Houyu; Wang, Ming","Configurational control of low-symmetry heteroleptic metal-organic cages with asymmetric ligands.","Chemical science","2025","16","14","6114","6120","10.1039/d4sc08647c","","","0.6887","Synchrotron","","0.1399","0.1258","","","0.3361","0.3594","","","","","","1.397","","","","has coordinates","298788","2025-04-05","02:19:42",""
"1574094","43.65","0.002","43.65","0.002","43.65","0.002","90","","90","","90","","83167","7","273.15","","273.15","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C176 H128 N16 Pd4 -","- C176 H128 N16 Pd4 -","- C1056 H768 N96 Pd24 -","6","0.0625","","Yu, Hao; Guo, Ziteng; Tang, Jie; Han, Ningxu; Shi, Junjuan; Li, Meng; Zhang, Houyu; Wang, Ming","Configurational control of low-symmetry heteroleptic metal-organic cages with asymmetric ligands.","Chemical science","2025","16","14","6114","6120","10.1039/d4sc08647c","","","0.68874","Synchrotron","","0.1934","0.1841","","","0.516","0.575","","","","","","1.582","","","","has coordinates,has disorder","298788","2025-04-05","02:19:42",""
"1574097","8.046","0.0001","18.2634","0.0002","8.5597","0.0001","90","","108.345","0.001","90","","1193.9","0.03","249.97","0.1","249.97","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O -","- C14 H17 N O -","- C56 H68 N4 O4 -","4","2","","Sun, Hao; Yu, Cheng-Long; Zheng, Yu-Qing; Shu, Peng-Fei; Dong, Zhan; Xia, Yu-Chen; Liu, Wen-Bo","Pd-catalyzed enantioselective access to hydrocarbazolones containing contiguous quaternary and tertiary stereocenters","Chemical Science","2025","16","15","6425","6433","10.1039/D4SC08215J","","x-ray","1.54184","CuKα","","0.0276","0.0269","","","0.0732","0.0738","","","","","","1.038","","","","has coordinates","300639","2025-07-06","14:34:11",""
"1574098","8.9633","0.0002","18.6929","0.0002","11.3785","0.0002","90","","90.154","0.002","90","","1906.46","0.06","301.56","0.1","301.56","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H24.5 N O1.75 -","- C23 H23 N O -","- C92 H92 N4 O4 -","4","2","","Sun, Hao; Yu, Cheng-Long; Zheng, Yu-Qing; Shu, Peng-Fei; Dong, Zhan; Xia, Yu-Chen; Liu, Wen-Bo","Pd-catalyzed enantioselective access to hydrocarbazolones containing contiguous quaternary and tertiary stereocenters","Chemical Science","2025","16","15","6425","6433","10.1039/D4SC08215J","","","1.54184","CuKα","","0.048","0.0419","","","0.1173","0.1226","","","","","","1.0472","","","","has coordinates","300639","2025-07-06","14:34:11",""
"1574099","55.438","0.004","55.438","0.004","34.467","0.002","90","","90","","120","","91738","11","200","2","200","2","","","","","","","","7","P 63","P 6c","173","","","","- C112 H276 Mo12 N40 O138 Pd4 Si -","- C112 H128 Mo12 N32 O40 Pd4 Si -","- C2016 H2304 Mo216 N576 O720 Pd72 Si18 -","18","3","","Cai, Li-Xuan; Hu, Yu-Hang; Zhou, Li-Peng; Cheng, Pei-Ming; Guo, Xiao-Qing; Chan, Yi-Tsu; Sun, Qing-Fu","Polyoxometalate condensation and transformation mediated by adaptive coordination-assembled molecular flasks","Chemical Science","2025","16","18","7956","7962","10.1039/D4SC08729A","","","0.71073","MoKα","","0.1389","0.0935","","","0.2345","0.2746","","","","","","1.042","","","","has coordinates","300649","2025-07-06","14:38:42",""
"1574100","57.774","0.008","57.774","0.008","36.483","0.007","90","","90","","90","","121774","3","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C112 H319 N40 O151.5 Pd4 W10 -","- C112 H128 N33 O35 Pd4 W10 -","- C1792 H2048 N528 O560 Pd64 W160 -","16","1","","Cai, Li-Xuan; Hu, Yu-Hang; Zhou, Li-Peng; Cheng, Pei-Ming; Guo, Xiao-Qing; Chan, Yi-Tsu; Sun, Qing-Fu","Polyoxometalate condensation and transformation mediated by adaptive coordination-assembled molecular flasks","Chemical Science","2025","16","18","7956","7962","10.1039/D4SC08729A","","","0.68875","Synchrotron","","0.1046","0.0762","","","0.2604","0.2908","","","","","","1.06","","","","has coordinates","300649","2025-07-06","14:38:44",""
"1574101","33.1786","0.0003","35.0845","0.0004","58.0136","0.0006","90","","89.8996","0.001","90","","67530.9","1.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C112 H228 N40 O114 Pd4 Si W12 -","- C112 H128 N32 O40 Pd4 Si W12 -","- C1344 H1536 N384 O480 Pd48 Si12 W144 -","12","3","","Cai, Li-Xuan; Hu, Yu-Hang; Zhou, Li-Peng; Cheng, Pei-Ming; Guo, Xiao-Qing; Chan, Yi-Tsu; Sun, Qing-Fu","Polyoxometalate condensation and transformation mediated by adaptive coordination-assembled molecular flasks","Chemical Science","2025","16","18","7956","7962","10.1039/D4SC08729A","","","1.34139","GaKα","","0.1168","0.1094","","","0.3409","0.3538","","","","","","1.14","","","","has coordinates","300649","2025-07-06","14:38:53",""
"1574102","9.0296","0.0004","9.2046","0.0004","23.1133","0.0012","89.022","0.002","79.051","0.002","63.4122","0.0017","1681.56","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H45 B Cl3 N2 P Si -","- C33 H45 B Cl3 N2 P Si -","- C66 H90 B2 Cl6 N4 P2 Si2 -","2","1","","Phang, Si Jia Isabel; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai","An N-phosphinoamidinato borasilenide: a vinyl-analogous anion containing a base-stabilised BSi double bond","Chemical Science","2025","16","16","6763","6769","10.1039/D5SC00047E","","x-ray","0.71073","MoKα","","0.0772","0.0517","","","0.1281","0.1445","","","","","","1.036","","","","has coordinates","300612","2025-07-06","14:19:46",""
"1574103","11.8487","0.0006","10.1385","0.0007","30.475","0.002","90","","94.814","0.004","90","","3648","0.4","101","2","101","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H54 B N2 P Si2 -","- C36 H54 B N2 P Si2 -","- C144 H216 B4 N8 P4 Si8 -","4","1","","Phang, Si Jia Isabel; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai","An N-phosphinoamidinato borasilenide: a vinyl-analogous anion containing a base-stabilised BSi double bond","Chemical Science","2025","16","16","6763","6769","10.1039/D5SC00047E","","x-ray","1.54178","CuKα","","0.143","0.0918","","","0.209","0.2361","","","","","","1.06","","","","has coordinates,has disorder","300612","2025-07-06","14:19:46",""
"1574104","8.9473","0.0009","12.225","0.0011","15.6398","0.0016","87.641","0.003","89.746","0.004","71.362","0.003","1619.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H90 B2 K2 N4 P2 Si2 -","- C66 H90 B2 K2 N4 P2 Si2 -","- C66 H90 B2 K2 N4 P2 Si2 -","1","0.5","","Phang, Si Jia Isabel; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai","An N-phosphinoamidinato borasilenide: a vinyl-analogous anion containing a base-stabilised BSi double bond","Chemical Science","2025","16","16","6763","6769","10.1039/D5SC00047E","","x-ray","0.71073","MoKα","","0.1355","0.0795","","","0.1979","0.2432","","","","","","1.023","","","","has coordinates,has disorder","300612","2025-07-06","14:19:46",""
"1574105","16.6108","0.0007","10.1947","0.0004","25.8173","0.0013","90","","90.071","0.0015","90","","4372","0.3","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C43 H59 B F3 N2 O3 P S Si -","- C43 H59 B F3 N2 O3 P S Si -","- C172 H236 B4 F12 N8 O12 P4 S4 Si4 -","4","1","","Phang, Si Jia Isabel; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai","An N-phosphinoamidinato borasilenide: a vinyl-analogous anion containing a base-stabilised BSi double bond","Chemical Science","2025","16","16","6763","6769","10.1039/D5SC00047E","","x-ray","0.71073","MoKα","","0.1132","0.0606","","","0.1424","0.1789","","","","","","1.02","","","","has coordinates,has disorder","300612","2025-07-06","14:19:46",""
"1574106","15.2155","0.0019","15.695","0.002","18.597","0.002","90.735","0.004","105.707","0.004","98.278","0.004","4224.5","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H61 B Ir N2 P Si -","- C47 H61 B Ir N2 P Si -","- C188 H244 B4 Ir4 N8 P4 Si4 -","4","2","","Phang, Si Jia Isabel; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai","An N-phosphinoamidinato borasilenide: a vinyl-analogous anion containing a base-stabilised BSi double bond","Chemical Science","2025","16","16","6763","6769","10.1039/D5SC00047E","","x-ray","0.71073","MoKα","","0.078","0.0486","","","0.1054","0.1244","","","","","","1.044","","","","has coordinates","300612","2025-07-06","14:19:46",""
"1574107","15.9089","0.0009","12.3323","0.0006","40.245","0.003","90","","100.86","0.002","90","","7754.4","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C81 H111 B2 Cu2 N4 P3 Si2 -","- C81 H111 B2 Cu2 N4 P3 Si2 -","- C324 H444 B8 Cu8 N16 P12 Si8 -","4","1","","Phang, Si Jia Isabel; Zhang, Zheng-Feng; Su, Ming-Der; So, Cheuk-Wai","An N-phosphinoamidinato borasilenide: a vinyl-analogous anion containing a base-stabilised BSi double bond","Chemical Science","2025","16","16","6763","6769","10.1039/D5SC00047E","","x-ray","0.71073","MoKα","","0.1009","0.0537","","","0.1142","0.1363","","","","","","1.03","","","","has coordinates","300612","2025-07-06","14:19:46",""
"1574108","9.7393","0.0002","24.5507","0.0005","30.8103","0.0007","90","","90","","90","","7366.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1MeCz-BO","","- C52 H34 B N O2 -","- C52 H34 B N O2 -","- C416 H272 B8 N8 O16 -","8","1","","Li, Quanwei; Zhao, Haisong; Zhao, Jinyang; Cao, Zhongxu; Yu, Chao; Yan, Shouke; Ren, Zhongjie","Enhancing electroluminescence performance of ultra-deep-blue through-space charge transfer emitters with CIEy ≈ 0.05 via methyl-modification","Chemical Science","2025","16","15","6434","6442","10.1039/D4SC08094G","","x-ray","1.54184","CuKα","","0.0759","0.0572","","","0.1425","0.1528","","","","","","1.072","","","","has coordinates","300633","2025-07-06","14:30:55",""
"1574109","8.8277","0.0003","27.8654","0.0009","31.786","0.0012","90","","90","","90","","7819","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3MeCz-BO","","- C54 H38 B N O2 -","- C54 H38 B N O2 -","- C432 H304 B8 N8 O16 -","8","1","","Li, Quanwei; Zhao, Haisong; Zhao, Jinyang; Cao, Zhongxu; Yu, Chao; Yan, Shouke; Ren, Zhongjie","Enhancing electroluminescence performance of ultra-deep-blue through-space charge transfer emitters with CIEy ≈ 0.05 via methyl-modification","Chemical Science","2025","16","15","6434","6442","10.1039/D4SC08094G","","x-ray","1.54184","CuKα","","0.0888","0.0559","","","0.147","0.1672","","","","","","1.039","","","","has coordinates","300633","2025-07-06","14:30:57",""
"1574110","16.7197","0.0013","8.873","0.0005","26.3102","0.0017","90","","101.453","0.007","90","","3825.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2MeCz-BO","","- C53 H36 B N O2 -","- C53 H36 B N O2 -","- C212 H144 B4 N4 O8 -","4","1","","Li, Quanwei; Zhao, Haisong; Zhao, Jinyang; Cao, Zhongxu; Yu, Chao; Yan, Shouke; Ren, Zhongjie","Enhancing electroluminescence performance of ultra-deep-blue through-space charge transfer emitters with CIEy ≈ 0.05 via methyl-modification","Chemical Science","2025","16","15","6434","6442","10.1039/D4SC08094G","","","1.54184","CuKα","","0.1937","0.117","","","0.3019","0.3542","","","","","","1.049","","","","has coordinates","300633","2025-07-06","14:30:57",""
"1574111","21.2386","0.0002","36.7068","0.0003","38.4701","0.0003","90","","98.345","0.001","90","","29673.8","0.4","100.01","0.1","100.01","0.1","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C241 H183 Ag7.17 Cl2 Cu39.83 F36 O24 P6 Se18 -","- C241 H182 Ag7.1667 Cl2 Cu39.8333 F36 O24 P6 Se18 -","- C964 H728 Ag28.6668 Cl8 Cu159.333 F144 O96 P24 Se72 -","4","1","","Sun, Jing; Liu, Jiahe; Su, Hai-Feng; Li, Simin; Tang, Xiongkai; Xie, Zhenlang; Xu, Zhen; Jiang, Wenya; Wei, Jianyu; Gong, Xuekun; He, Ayisha; Wang, Song; Jiang, De-en; Zheng, Nanfeng; Shen, Hui","Eight-electron copper-hydride nanoclusters: synthesis, structure, alloying chemistry and photoluminescence","Chemical Science","2025","16","15","6392","6401","10.1039/D4SC08547G","","x-ray","1.54184","CuKα","","0.075","0.0605","","","0.1556","0.1652","","","","","","1.05","","","","has coordinates,has disorder","300632","2025-07-06","14:30:33",""
"1574112","21.8398","0.0005","21.8398","0.0005","33.3259","0.0005","90","","90","","120","","13766.1","0.5","99.98","0.1","100.15","","","","","","","","","8","P 63/m","-P 6c","176","","","","- C207 H156 Cl6 Cu47 F36 O24 P5 Se15 -","- C207 H156 Cl6 Cu47 F36 O24 P5 Se15 -","- C414 H312 Cl12 Cu94 F72 O48 P10 Se30 -","2","0.166667","","Sun, Jing; Liu, Jiahe; Su, Hai-Feng; Li, Simin; Tang, Xiongkai; Xie, Zhenlang; Xu, Zhen; Jiang, Wenya; Wei, Jianyu; Gong, Xuekun; He, Ayisha; Wang, Song; Jiang, De-en; Zheng, Nanfeng; Shen, Hui","Eight-electron copper-hydride nanoclusters: synthesis, structure, alloying chemistry and photoluminescence","Chemical Science","2025","16","15","6392","6401","10.1039/D4SC08547G","","","1.54184","CuKα","","0.0717","0.0552","","","0.162","0.1751","","","","","","1.054","","","","has coordinates","300632","2025-07-06","14:30:33",""
"1574113","13.5563","0.0002","20.737","0.0002","14.8064","0.0002","90","","116.901","0.002","90","","3711.92","0.11","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 Cl4 Cu I O P2 -","- C38 H32 Cl4 Cu I O P2 -","- C152 H128 Cl16 Cu4 I4 O4 P8 -","4","1","","Zhang, Hong-Jin; Chen, Zong-Ren; Xu, Ji-Tong; Ye, Jia-Wen; Chen, Ling; Chen, Xiao-Ming","CO2-enhanced TADF of an ultra-stable Cu(i) cluster via guest–host π–π interaction","Chemical Science","2025","16","16","6872","6878","10.1039/D4SC07949C","","x-ray","1.54184","CuKα","","0.0345","0.0337","","","0.0881","0.0887","","","","","","1.061","","","","has coordinates","300608","2025-07-06","14:17:44",""
"1574114","13.3463","0.0005","20.206","0.0004","14.7519","0.0005","90","","116.536","0.004","90","","3559.1","0.2","150","0.11","150","0.11","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 Cu I N2 O P2 -","- C40 H34 Cu I N2 O P2 -","- C160 H136 Cu4 I4 N8 O4 P8 -","4","1","","Zhang, Hong-Jin; Chen, Zong-Ren; Xu, Ji-Tong; Ye, Jia-Wen; Chen, Ling; Chen, Xiao-Ming","CO2-enhanced TADF of an ultra-stable Cu(i) cluster via guest–host π–π interaction","Chemical Science","2025","16","16","6872","6878","10.1039/D4SC07949C","","x-ray","1.54184","CuKα","","0.0383","0.0355","","","0.0948","0.0967","","","","","","1.05","","","","has coordinates","300608","2025-07-06","14:17:53",""
"1574115","13.4634","0.0008","18.73432","0.00017","23.9159","0.0015","90","","147.569","0.016","90","","3235","1.4","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H56 Cu2 I2 O2 P4 -","- C72 H56 Cu2 I2 O2 P4 -","- C144 H112 Cu4 I4 O4 P8 -","2","0.5","","Zhang, Hong-Jin; Chen, Zong-Ren; Xu, Ji-Tong; Ye, Jia-Wen; Chen, Ling; Chen, Xiao-Ming","CO2-enhanced TADF of an ultra-stable Cu(i) cluster via guest–host π–π interaction","Chemical Science","2025","16","16","6872","6878","10.1039/D4SC07949C","","x-ray","1.54184","CuKα","","0.0283","0.0268","","","0.0694","0.0706","","","","","","1.05","","","","has coordinates","300608","2025-07-06","14:17:54",""
"1574116","13.3073","0.0001","19.2892","0.0001","14.7456","0.0002","90","","116.688","0.001","90","","3381.77","0.06","150","0.11","150","0.11","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C73.6 H56 Cu2 I2 O5.12 P4 -","- C73.6 H56 Cu2 I2 O5.124 P4 -","- C147.2 H112 Cu4 I4 O10.248 P8 -","2","0.5","","Zhang, Hong-Jin; Chen, Zong-Ren; Xu, Ji-Tong; Ye, Jia-Wen; Chen, Ling; Chen, Xiao-Ming","CO2-enhanced TADF of an ultra-stable Cu(i) cluster via guest–host π–π interaction","Chemical Science","2025","16","16","6872","6878","10.1039/D4SC07949C","","x-ray","1.54184","CuKα","","0.0293","0.0277","","","0.0673","0.0679","","","","","","1.149","","","","has coordinates","300608","2025-07-06","14:18:03",""
"1574117","13.5886","0.0001","18.8697","0.0002","14.651","0.0002","90","","117.565","0.001","90","","3330.27","0.07","291.6","0.3","291.6","0.3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Cu I O P2 -","- C36 H28 Cu I O P2 -","- C144 H112 Cu4 I4 O4 P8 -","4","1","","Zhang, Hong-Jin; Chen, Zong-Ren; Xu, Ji-Tong; Ye, Jia-Wen; Chen, Ling; Chen, Xiao-Ming","CO2-enhanced TADF of an ultra-stable Cu(i) cluster via guest–host π–π interaction","Chemical Science","2025","16","16","6872","6878","10.1039/D4SC07949C","","x-ray","1.54184","CuKα","","0.0267","0.0243","","","0.0597","0.0609","","","","","","1.038","","","","has coordinates","300608","2025-07-06","14:18:04",""
"1574118","13.4567","0.0001","19.338","0.0001","14.8468","0.0002","90","","116.934","0.001","90","","3444.44","0.06","291.33","0.1","291.33","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72.8 H56 Cu2 I2 O3.6 P4 -","- C72.8 H56 Cu2 I2 O3.6 P4 -","- C145.6 H112 Cu4 I4 O7.2 P8 -","2","0.5","","Zhang, Hong-Jin; Chen, Zong-Ren; Xu, Ji-Tong; Ye, Jia-Wen; Chen, Ling; Chen, Xiao-Ming","CO2-enhanced TADF of an ultra-stable Cu(i) cluster via guest–host π–π interaction","Chemical Science","2025","16","16","6872","6878","10.1039/D4SC07949C","","x-ray","1.54184","CuKα","","0.0291","0.0269","","","0.0726","0.0738","","","","","","1.066","","","","has coordinates,has disorder","300608","2025-07-06","14:18:05",""
"1574119","7.506","0.0002","11.5648","0.0002","34.8112","0.0005","90","","90.678","0.002","90","","3021.59","0.11","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C16 H17 Cl N4 O -","- C16 H17 Cl N4 O -","- C128 H136 Cl8 N32 O8 -","8","1","","Zhu, Shiyang; Zhang, Hairuo; Sun, Boyang; Bai, Ziqian; He, Gang; Chen, Gong; Wang, Hao","Nitrene-mediated aminative N–N–N coupling: facile access to triazene 1-oxides","Chemical Science","2025","16","15","6458","6467","10.1039/D5SC00064E","","x-ray","0.71073","MoKα","","0.0442","0.0366","","","0.0993","0.1036","","","","","","1.054","","","","has coordinates","300631","2025-07-06","14:30:14",""
"1574130","17.3266","0.0011","23.1849","0.0015","24.3639","0.0014","93.487","0.003","110.59","0.003","109.064","0.004","8487.2","1","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C99.5 H88 N2 O4 Si4 Tb -","- C99.5 H88 N2 O4 Si4 Tb -","- C398 H352 N8 O16 Si16 Tb4 -","4","2","","Xue, Tianjiao; Yang, Qing-Song; Li, Lei; Chang, Xiao-Yong; Ding, You-Song; Zheng, Zhiping","Supramolecular assemblies of tetravalent terbium complex units: syntheses, structure, and materials properties","Chemical Science","2025","16","16","6805","6811","10.1039/D4SC08731C","","x-ray","1.34138","GaKα","","0.0895","0.0635","","","0.1621","0.1767","","","","","","1.082","","","","has coordinates","300610","2025-07-06","14:19:07",""
"1574131","22.7842","0.0009","18.3307","0.0007","23.9399","0.0008","90","","111.875","0.001","90","","9278.6","0.6","100","0.2","100","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C104 H112 N2 O12 Si4 Tb -","- C104 H112 N2 O12 Si4 Tb -","- C416 H448 N8 O48 Si16 Tb4 -","4","0.5","","Xue, Tianjiao; Yang, Qing-Song; Li, Lei; Chang, Xiao-Yong; Ding, You-Song; Zheng, Zhiping","Supramolecular assemblies of tetravalent terbium complex units: syntheses, structure, and materials properties","Chemical Science","2025","16","16","6805","6811","10.1039/D4SC08731C","","x-ray","0.71073","MoKα","","0.0543","0.0442","","","0.1066","0.1164","","","","","","1.034","","","","has coordinates,has disorder","300610","2025-07-06","14:19:08",""
"1574132","17.784","0.0016","21.25","0.002","25.315","0.003","109.025","0.004","101.84","0.004","90.039","0.004","8828.2","1.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C105 H92 N2 O4 Si4 Tb -","- C105 H92 N2 O4 Si4 Tb -","- C420 H368 N8 O16 Si16 Tb4 -","4","2","","Xue, Tianjiao; Yang, Qing-Song; Li, Lei; Chang, Xiao-Yong; Ding, You-Song; Zheng, Zhiping","Supramolecular assemblies of tetravalent terbium complex units: syntheses, structure, and materials properties","Chemical Science","2025","16","16","6805","6811","10.1039/D4SC08731C","","","1.34139","GaKα","","0.125","0.08","","","0.194","0.2201","","","","","","1.093","","","","has coordinates","300610","2025-07-06","14:19:08",""
"1574133","32.278","0.0017","34.1126","0.0016","39.4068","0.0017","90","","90","","90","","43390","4","99.9","","99.9","","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C208 H224 N4 O18 Si8 Tb2 -","- C208 H224 N4 O18 Si8 Tb2 -","- C1664 H1792 N32 O144 Si64 Tb16 -","8","0.25","","Xue, Tianjiao; Yang, Qing-Song; Li, Lei; Chang, Xiao-Yong; Ding, You-Song; Zheng, Zhiping","Supramolecular assemblies of tetravalent terbium complex units: syntheses, structure, and materials properties","Chemical Science","2025","16","16","6805","6811","10.1039/D4SC08731C","","x-ray","0.71073","MoKα","","0.0609","0.0514","","","0.1505","0.16","","","","","","1.142","","","","has coordinates,has disorder","300610","2025-07-06","14:19:08",""
"1574134","17.8325","0.0016","21.184","0.002","25.671","0.002","109.037","0.004","101.48","0.003","90.122","0.003","8960.2","1.4","200","0.2","200","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C210 H188 N4 O8 Si8 Tb2 -","- C182 H156 N4 O8 Si8 Tb2 -","- C364 H312 N8 O16 Si16 Tb4 -","2","1","","Xue, Tianjiao; Yang, Qing-Song; Li, Lei; Chang, Xiao-Yong; Ding, You-Song; Zheng, Zhiping","Supramolecular assemblies of tetravalent terbium complex units: syntheses, structure, and materials properties","Chemical Science","2025","16","16","6805","6811","10.1039/D4SC08731C","","x-ray","1.34139","GaKα","","0.0732","0.06","","","0.1757","0.1856","","","","","","1.159","","","","has coordinates,has disorder","300610","2025-07-06","14:19:08",""
"1574135","10.9435","0.0001","10.9435","0.0001","14.7482","0.0001","90","","90","","90","","1766.25","0.03","292.96","0.13","292.96","0.13","","","","","","","","5","P 41","P 4w","76","","","","- C21 H12 I N Se -","- C21 H12 I N Se -","- C84 H48 I4 N4 Se4 -","4","1","","Li, Yuanyuan; Tao, Chenyu; Duan, Longhui; Gu, Zhenhua","Observation of the solvent enantio-isotope effect in asymmetric ring-opening of cyclic diaryliodoniums with selenocyanate","Chemical Science","2025","16","15","6488","6494","10.1039/D5SC00014A","","x-ray","1.54184","CuKα","","0.0379","0.0373","","","0.0962","0.0969","","","","","","1.027","","","","has coordinates","300635","2025-07-06","14:31:20",""
"1574136","9.3735","0.0005","11.1993","0.0006","11.3482","0.0005","63.903","0.005","80.905","0.004","86.542","0.004","1056.34","0.1","293.3","0.5","293.3","0.5","","","","","","","","6","P 1","P 1","1","","","","- C22 H21 I N2 O Se -","- C22 H21 I N2 O Se -","- C44 H42 I2 N4 O2 Se2 -","2","2","","Li, Yuanyuan; Tao, Chenyu; Duan, Longhui; Gu, Zhenhua","Observation of the solvent enantio-isotope effect in asymmetric ring-opening of cyclic diaryliodoniums with selenocyanate","Chemical Science","2025","16","15","6488","6494","10.1039/D5SC00014A","","x-ray","1.54184","CuKα","","0.1086","0.0917","","","0.2514","0.2709","","","","","","1.049","","","","has coordinates","300635","2025-07-06","14:31:24",""
"1574137","21.8575","0.0008","27.0119","0.0007","27.2218","0.0008","78.849","0.002","76.57","0.003","80.26","0.003","15206.9","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C272 H264 Cl45 N3 O6 -","- C257 H249 N3 O6 -","- C514 H498 N6 O12 -","2","1","","Chen, Yan; Chen, Xingyu; Li, Lin; Chen, Xiangping; Xia, Jianlong; Zhang, Lei","A triply linked propellane-nanoring hybrid serving as a good host","Chemical Science","2025","16","16","6822","6827","10.1039/D5SC00713E","","","1.54178","CuKα","","0.1357","0.084","","","0.1935","0.2053","","","","","","1.097","","","","has coordinates,has disorder","300607","2025-07-06","14:17:12",""
"1574138","16.4184","0.0002","29.5605","0.0004","16.8961","0.0002","90","","101.849","0.001","90","","8025.56","0.18","170","0.1","170","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C82 H88 Cl12 -","- C82 H88 Cl12 -","- C328 H352 Cl48 -","4","0.5","","Chen, Yan; Chen, Xingyu; Li, Lin; Chen, Xiangping; Xia, Jianlong; Zhang, Lei","A triply linked propellane-nanoring hybrid serving as a good host","Chemical Science","2025","16","16","6822","6827","10.1039/D5SC00713E","","x-ray","1.54184","CuKα","","0.092","0.0813","","","0.226","0.2358","","","","","","1.039","","","","has coordinates,has disorder","300607","2025-07-06","14:17:21",""
"1574139","22.4394","0.0011","25.032","0.0012","34.7003","0.0012","84.936","0.003","79.688","0.004","67.852","0.005","17756.8","1.5","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C528 H353 N3 O6 -","- C437 H249 N3 O6 -","- C874 H498 N6 O12 -","2","1","","Chen, Yan; Chen, Xingyu; Li, Lin; Chen, Xiangping; Xia, Jianlong; Zhang, Lei","A triply linked propellane-nanoring hybrid serving as a good host","Chemical Science","2025","16","16","6822","6827","10.1039/D5SC00713E","","","1.54178","CuKα","","0.2463","0.1478","","","0.2824","0.3106","","","","","","1.029","","","","has coordinates","300607","2025-07-06","14:17:22",""
"1574140","6.6746","0.0004","8.0822","0.0006","13.784","0.001","95.756","0.002","99.723","0.002","97.231","0.002","721.43","0.09","99.99","","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H8 Cl F3 O5 S -","- C14 H8 Cl F3 O5 S -","- C28 H16 Cl2 F6 O10 S2 -","2","1","","Krammer, Leo; Darnhofer, Barbara; Kljajic, Marko; Liesinger, Laura; Schittmayer, Matthias; Neshchadin, Dmytro; Gescheidt, Georg; Kollau, Alexander; Mayer, Bernd; Fischer, Roland C.; Wallner, Silvia; Macheroux, Peter; Birner-Gruenberger, Ruth; Breinbauer, Rolf","A general approach for activity-based protein profiling of oxidoreductases with redox-differentiated diarylhalonium warheads","Chemical Science","2025","16","15","6240","6256","10.1039/D4SC08454C","","x-ray","0.71073","MoKα","","0.0369","0.0349","","","0.0912","0.0925","","","","","","1.091","","","","has coordinates","300636","2025-07-06","14:31:36",""
"1574141","7.0091","0.0007","10.6673","0.0011","11.7572","0.0012","63.23","0.005","75.79","0.005","85.689","0.005","760.2","0.14","100.03","","100.03","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H8 F3 I O5 S -","- C14 H8 F3 I O5 S -","- C28 H16 F6 I2 O10 S2 -","2","1","","Krammer, Leo; Darnhofer, Barbara; Kljajic, Marko; Liesinger, Laura; Schittmayer, Matthias; Neshchadin, Dmytro; Gescheidt, Georg; Kollau, Alexander; Mayer, Bernd; Fischer, Roland C.; Wallner, Silvia; Macheroux, Peter; Birner-Gruenberger, Ruth; Breinbauer, Rolf","A general approach for activity-based protein profiling of oxidoreductases with redox-differentiated diarylhalonium warheads","Chemical Science","2025","16","15","6240","6256","10.1039/D4SC08454C","","x-ray","0.71073","MoKα","","0.0783","0.043","","","0.0535","0.0609","","","","","","1.053","","","","has coordinates","300636","2025-07-06","14:31:37",""
"1574142","6.4902","0.0003","18.8943","0.0009","12.3367","0.0006","90","","95.462","0.002","90","","1505.95","0.12","100","2","99.98","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Br F3 O5 S -","- C14 H8 Br F3 O5 S -","- C56 H32 Br4 F12 O20 S4 -","4","1","","Krammer, Leo; Darnhofer, Barbara; Kljajic, Marko; Liesinger, Laura; Schittmayer, Matthias; Neshchadin, Dmytro; Gescheidt, Georg; Kollau, Alexander; Mayer, Bernd; Fischer, Roland C.; Wallner, Silvia; Macheroux, Peter; Birner-Gruenberger, Ruth; Breinbauer, Rolf","A general approach for activity-based protein profiling of oxidoreductases with redox-differentiated diarylhalonium warheads","Chemical Science","2025","16","15","6240","6256","10.1039/D4SC08454C","","x-ray","0.71073","MoKα","","0.0265","0.0237","","","0.0606","0.062","","","","","","1.011","","","","has coordinates","300636","2025-07-06","14:31:37",""
"1574150","13.0425","0.0011","14.2978","0.0012","15.5953","0.0013","95.495","0.002","99.469","0.002","108.484","0.002","2686.4","0.4","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H77 K N O6 P -","- C57 H77 K N O6 P -","- C114 H154 K2 N2 O12 P2 -","2","1","","Nasrullah, Ayu Afiqah; Zander, Edgar; Dankert, Fabian; Petrov, Andrey; Surkau, Jonas; Baráth, Eszter; Hering-Junghans, Christian","Coordination isomerism in dioxophosphorane cyanides","Chemical Science","2025","16","16","6909","6917","10.1039/D4SC07636B","","","0.71073","MoKα","","0.0525","0.0398","","","0.0998","0.1103","","","","","","1.015","","","","has coordinates","300614","2025-07-06","14:21:34",""
"1574151","10.4814","0.0006","20.0122","0.0012","26.3567","0.0015","91.519","0.002","99.269","0.002","99.707","0.002","5370","0.5","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C57 H77 N Na O8 P -","- C57.0035 H77.004 N Na O8 P -","- C228.014 H308.016 N4 Na4 O32 P4 -","4","2","","Nasrullah, Ayu Afiqah; Zander, Edgar; Dankert, Fabian; Petrov, Andrey; Surkau, Jonas; Baráth, Eszter; Hering-Junghans, Christian","Coordination isomerism in dioxophosphorane cyanides","Chemical Science","2025","16","16","6909","6917","10.1039/D4SC07636B","","","0.71073","MoKα","","0.0794","0.0504","","","0.1242","0.1472","","","","","","1.011","","","","has coordinates,has disorder","300614","2025-07-06","14:21:34",""
"1574152","12.4061","0.0007","40.667","0.002","22.5868","0.0013","90","","91.183","0.003","90","","11393","1.1","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57.01 H77.01 K N O6 P S2 -","- C57.0035 H77.004 K N O6 P S2 -","- C456.028 H616.032 K8 N8 O48 P8 S16 -","8","2","","Nasrullah, Ayu Afiqah; Zander, Edgar; Dankert, Fabian; Petrov, Andrey; Surkau, Jonas; Baráth, Eszter; Hering-Junghans, Christian","Coordination isomerism in dioxophosphorane cyanides","Chemical Science","2025","16","16","6909","6917","10.1039/D4SC07636B","","","1.54178","CuKα","","0.0371","0.0328","","","0.0876","0.0912","","","","","","1.034","","","","has coordinates,has disorder","300614","2025-07-06","14:21:34",""
"1574153","12.76","0.003","12.763","0.003","16.898","0.003","92.4","0.03","107.37","0.03","91.81","0.03","2621.3","1.1","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C55 H73 N Na O7 P -","- C55 H73 N Na O7 P -","- C110 H146 N2 Na2 O14 P2 -","2","1","","Nasrullah, Ayu Afiqah; Zander, Edgar; Dankert, Fabian; Petrov, Andrey; Surkau, Jonas; Baráth, Eszter; Hering-Junghans, Christian","Coordination isomerism in dioxophosphorane cyanides","Chemical Science","2025","16","16","6909","6917","10.1039/D4SC07636B","","","0.71073","MoKα","","0.0678","0.0436","","","0.1196","0.1293","","","","","","1.061","","","","has coordinates,has disorder","300614","2025-07-06","14:21:34",""
"1574154","14.5215","0.0004","18.3696","0.0005","20.0346","0.0006","82.909","0.001","83.658","0.001","77.776","0.001","5163.6","0.3","149.99","","149.99","","","","","","","","","6","P -1","-P 1","2","","","","- C86 H122 N2 Na2 O12 P2 -","- C86 H122 N2 Na2 O12 P2 -","- C172 H244 N4 Na4 O24 P4 -","2","1","","Nasrullah, Ayu Afiqah; Zander, Edgar; Dankert, Fabian; Petrov, Andrey; Surkau, Jonas; Baráth, Eszter; Hering-Junghans, Christian","Coordination isomerism in dioxophosphorane cyanides","Chemical Science","2025","16","16","6909","6917","10.1039/D4SC07636B","","","1.54178","CuKα","","0.0626","0.0565","","","0.1609","0.1684","","","","","","1.04","","","","has coordinates,has disorder","300614","2025-07-06","14:21:34",""
"1574155","14.468","0.003","17.705","0.004","18.868","0.004","70.73","0.03","77.25","0.03","75.49","0.03","4366.2","1.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44.5 H61 N Na O5 P -","- C44.5 H61 N Na O5 P -","- C178 H244 N4 Na4 O20 P4 -","4","2","","Nasrullah, Ayu Afiqah; Zander, Edgar; Dankert, Fabian; Petrov, Andrey; Surkau, Jonas; Baráth, Eszter; Hering-Junghans, Christian","Coordination isomerism in dioxophosphorane cyanides","Chemical Science","2025","16","16","6909","6917","10.1039/D4SC07636B","","","0.71073","MoKα","","0.0944","0.0527","","","0.1384","0.1581","","","","","","0.971","","","","has coordinates,has disorder","300614","2025-07-06","14:21:34",""
"1574156","10.4542","0.0004","20.5804","0.0005","25.3528","0.0009","90","","92.771","0.003","90","","5448.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H77 K N O7 P -","- C57 H77 K N O7 P -","- C228 H308 K4 N4 O28 P4 -","4","1","","Nasrullah, Ayu Afiqah; Zander, Edgar; Dankert, Fabian; Petrov, Andrey; Surkau, Jonas; Baráth, Eszter; Hering-Junghans, Christian","Coordination isomerism in dioxophosphorane cyanides","Chemical Science","2025","16","16","6909","6917","10.1039/D4SC07636B","","","0.71073","MoKα","","0.0701","0.0407","","","0.104","0.1115","","","","","","0.947","","","","has coordinates,has disorder","300614","2025-07-06","14:21:34",""
"1574157","10.4129","0.0004","14.6924","0.0006","19.2865","0.0008","98.68","0.002","90.422","0.002","110.288","0.002","2730.22","0.19","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C57 H77 K N O8 P -","- C57 H77 K N O8 P -","- C114 H154 K2 N2 O16 P2 -","2","1","","Nasrullah, Ayu Afiqah; Zander, Edgar; Dankert, Fabian; Petrov, Andrey; Surkau, Jonas; Baráth, Eszter; Hering-Junghans, Christian","Coordination isomerism in dioxophosphorane cyanides","Chemical Science","2025","16","16","6909","6917","10.1039/D4SC07636B","","","1.54178","CuKα","","0.0452","0.0365","","","0.0906","0.0974","","","","","","1.022","","","","has coordinates,has disorder","300614","2025-07-06","14:21:34",""
"1574158","9.5072","0.0006","11.2492","0.0007","13.1335","0.0009","92.018","0.003","92.253","0.003","106.884","0.003","1341.42","0.15","200","","200","","","","","","","","","7","P 1","P 1","1","","","","- C12 H12 Br F2 N O S -","- C12 H12 Br F2 N O S -","- C48 H48 Br4 F8 N4 O4 S4 -","4","4","","Baldon, Simone; Paut, Julien; Anselmi, Elsa; Dagousset, Guillaume; Tuccio, Béatrice; Pelosi, Giorgio; Cuadros, Sara; Magnier, Emmanuel; Dell’Amico, Luca","Radical photochemical difluorosulfoximination of alkenes and propellanes","Chemical Science","2025","16","16","6957","6964","10.1039/D5SC01068C","","","1.54178","CuKα","","0.0623","0.059","","","0.1699","0.1753","","","","","","1.055","","","","has coordinates,has disorder","300611","2025-07-06","14:19:24",""
"1574160","21.3086","0.0002","13.9591","0.0001","20.6685","0.0002","90","","118.573","0.002","90","","5399.07","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[{N(2,6-iPr-C6H3)}2(CMe)2CH]GaP[As{N(2,6-iPr-C6H3)}2(CH2)2]","","- C55 H79 As Ga N4 P -","- C55 H79 As Ga N4 P -","- C220 H316 As4 Ga4 N16 P4 -","4","1","","Szych, Lilian S.; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.","Reactivity of an arsanyl-phosphagallene: decarbonylation of CO2 and COS to form phosphaketenes","Chemical Science","2025","16","17","7397","7410","10.1039/D5SC00295H","","","1.54184","CuKα","","0.0301","0.0256","","","0.0658","0.0685","","","","","","1.024","","","","has coordinates","300587","2025-07-06","14:09:56",""
"1574161","12.2864","0.0002","25.6905","0.0003","20.8532","0.0002","90","","92.473","0.001","90","","6576.05","0.15","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[{N(2,6-iPr-C6H3)}2(CMe)2CH]Ga[OCN(Mes)]PAs[{N(2,6-iPr-C6H3)}2(CH2)2]*0.5hex0.5C6H6","","- C68 H93 As Ga N5 O P -","- C68 H93 As Ga N5 O P -","- C272 H372 As4 Ga4 N20 O4 P4 -","4","1","","Szych, Lilian S.; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.","Reactivity of an arsanyl-phosphagallene: decarbonylation of CO2 and COS to form phosphaketenes","Chemical Science","2025","16","17","7397","7410","10.1039/D5SC00295H","","","1.54184","CuKα","","0.0532","0.0419","","","0.1047","0.114","","","","","","1.026","","","","has coordinates,has disorder","300587","2025-07-06","14:10:05",""
"1574162","13.3562","0.0001","24.7151","0.0002","18.592","0.0001","90","","91.831","0.001","90","","6134.08","0.08","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[{N(2,6-iPr-C6H3)}2(CMe)2CH]Ga(PCO)OAs[{N(2,6-iPr-C6H3)}2(CH2)2]*hex","","- C62 H93 As Ga N4 O2 P -","- C62 H93 As Ga N4 O2 P -","- C248 H372 As4 Ga4 N16 O8 P4 -","4","1","","Szych, Lilian S.; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.","Reactivity of an arsanyl-phosphagallene: decarbonylation of CO2 and COS to form phosphaketenes","Chemical Science","2025","16","17","7397","7410","10.1039/D5SC00295H","","","1.54184","CuKα","","0.0323","0.0274","","","0.0683","0.0721","","","","","","1.029","","","","has coordinates","300587","2025-07-06","14:10:05",""
"1574163","18.1433","0.0004","18.6339","0.0004","20.1323","0.0005","77.529","0.002","85.25","0.002","79.331","0.002","6524.4","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","{[{N(2,6-iPr-C6H3)}2(CMe)2CH]GaP[As{N(2,6-iPr-C6H3)}2(CH2)2]CS2}2*3.5pent","","- C129.5 H200 As2 Ga2 N8 P2 S4 -","- C129.5 H200 As2 Ga2 N8 P2 S4 -","- C259 H400 As4 Ga4 N16 P4 S8 -","2","1","","Szych, Lilian S.; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.","Reactivity of an arsanyl-phosphagallene: decarbonylation of CO2 and COS to form phosphaketenes","Chemical Science","2025","16","17","7397","7410","10.1039/D5SC00295H","","","1.54184","CuKα","","0.0593","0.042","","","0.1054","0.1183","","","","","","1.017","","","","has coordinates,has disorder","300587","2025-07-06","14:10:05",""
"1574164","13.4475","0.0002","20.8956","0.0003","24.4457","0.0003","90","","90","","90","","6869.08","0.17","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[{N(2,6-iPr-C6H3)}2(CMe)2CH]Ga[CyNCNCy]PAs[{N(2,6-iPr-C6H3)}2(CH2)2]*C6H6","","- C74 H107 As Ga N6 P -","- C74 H107 As Ga N6 P -","- C296 H428 As4 Ga4 N24 P4 -","4","1","","Szych, Lilian S.; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.","Reactivity of an arsanyl-phosphagallene: decarbonylation of CO2 and COS to form phosphaketenes","Chemical Science","2025","16","17","7397","7410","10.1039/D5SC00295H","","","1.54184","CuKα","","0.0318","0.0286","","","0.0678","0.0696","","","","","","1.033","","","","has coordinates,has disorder","300587","2025-07-06","14:10:05",""
"1574165","15.3228","0.0001","14.2179","0.0001","15.4652","0.0001","90","","92.946","0.001","90","","3364.77","0.04","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[(NDipp)2(CMe)2CH]Ga(CS2)PP[{N(2,6-iPr-C6H3)}2(CH2)2]*2hex","","- C68 H107 Ga N4 P2 S2 -","- C68 H107 Ga N4 P2 S2 -","- C136 H214 Ga2 N8 P4 S4 -","2","1","","Szych, Lilian S.; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.","Reactivity of an arsanyl-phosphagallene: decarbonylation of CO2 and COS to form phosphaketenes","Chemical Science","2025","16","17","7397","7410","10.1039/D5SC00295H","","","1.54184","CuKα","","0.0262","0.025","","","0.0631","0.0641","","","","","","1.04","","","","has coordinates,has disorder","300587","2025-07-06","14:10:05",""
"1574166","12.6878","0.0002","22.5101","0.0003","22.5732","0.0003","75.984","0.001","77.148","0.001","87.776","0.001","6097.57","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[{N(2,6-iPr-C6H3)}2(CMe)2CH]Ga(tBuN3)PAs[{N(2,6-iPr-C6H3)}2(CH2)2]*0.5C6H6","","- C62 H91 As Ga N7 P -","- C62 H91 As Ga N7 P -","- C248 H364 As4 Ga4 N28 P4 -","4","2","","Szych, Lilian S.; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.","Reactivity of an arsanyl-phosphagallene: decarbonylation of CO2 and COS to form phosphaketenes","Chemical Science","2025","16","17","7397","7410","10.1039/D5SC00295H","","","1.54184","CuKα","","0.0303","0.0258","","","0.066","0.069","","","","","","1.021","","","","has coordinates","300587","2025-07-06","14:10:05",""
"1574167","21.6461","0.0001","16.5972","0.0001","22.5185","0.0001","90","","106.036","0.001","90","","7775.3","0.08","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[(NDipp)2(CMe)2CH]Ga(OCHPh)PAs[{N(2,6-iPr-C6H3)}2(CH2)2]*4C6H6","","- C86 H109 As Ga N4 O P -","- C86 H109 As Ga N4 O P -","- C344 H436 As4 Ga4 N16 O4 P4 -","4","1","","Szych, Lilian S.; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.","Reactivity of an arsanyl-phosphagallene: decarbonylation of CO2 and COS to form phosphaketenes","Chemical Science","2025","16","17","7397","7410","10.1039/D5SC00295H","","","1.54184","CuKα","","0.0532","0.0442","","","0.1097","0.1196","","","","","","1.039","","","","has coordinates,has disorder","300587","2025-07-06","14:10:05",""
"1574168","16.3651","0.0001","18.4812","0.0001","18.6521","0.0001","90","","90","","90","","5641.27","0.06","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","[(NDipp)2(CMe)2CH]Ga(O2C)2As{[N(2,6-iPr-C6H3)]2(CH2)2}","","- C57 H79 As Ga N4 O4 P -","- C57 H79 As Ga N4 O4 P -","- C228 H316 As4 Ga4 N16 O16 P4 -","4","1","","Szych, Lilian S.; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.","Reactivity of an arsanyl-phosphagallene: decarbonylation of CO2 and COS to form phosphaketenes","Chemical Science","2025","16","17","7397","7410","10.1039/D5SC00295H","","","1.54184","CuKα","","0.0357","0.0347","","","0.0952","0.0958","","","","","","1.076","","","","has coordinates","300587","2025-07-06","14:10:05",""
"1574169","26.5128","0.0016","13.4752","0.0007","33.7623","0.0019","90","","90","","90","","12062.1","1.2","175","2","175","2","","","","","","","","8","P n a 21","P 2c -2n","33","","[{N(2,6-iPr-C6H3)}2(CMe)2CH]GaP[As{N(2,6-iPr-C6H3)}2(CH2)2]","","- C63 H87 As Ga N4 O P S -","- C63 H87 As Ga N4 O P S -","- C504 H696 As8 Ga8 N32 O8 P8 S8 -","8","2","","Szych, Lilian S.; Bresien, Jonas; Fischer, Lukas; Ernst, Moritz J.; Goicoechea, Jose M.","Reactivity of an arsanyl-phosphagallene: decarbonylation of CO2 and COS to form phosphaketenes","Chemical Science","2025","16","17","7397","7410","10.1039/D5SC00295H","","","0.71073","MoKα","","0.0305","0.0263","","","0.0691","0.0726","","","","","","1.067","","","","has coordinates,has disorder","300587","2025-07-06","14:10:05",""
"1574170","24.3316","0.0019","30.387","0.002","18.6976","0.0009","90","","90","","90","","13824.3","1.6","297","2","297","2","","","","","","","","4","F m m 2","F 2 -2","42","","","","- C176 H80 In8 O64 -","- C176 H88 In8 O68 -","- C352 H176 In16 O136 -","2","0.125","","Li, Jiantang; Song, Zitong; Zhou, Xia; Wang, Xue; Feng, Meng; Wang, Dongmei; Chen, Banglin","Reticular chemistry guided function customization: a case study of constructing low-polarity channels for efficient C3H6/C2H4 separation","Chemical Science","2025","16","17","7411","7417","10.1039/D4SC07959K","","","1.54184","CuKα","","0.0572","0.0543","","","0.1701","0.1751","","","","","","1.113","","","","has coordinates","300581","2025-07-06","14:07:03",""
"1574171","11.1724","0.0009","14.0119","0.0009","17.0939","0.0012","90","","99.724","0.004","90","","2637.5","0.3","155","2","155","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 I N P -","- C29 H31 I N P -","- C116 H124 I4 N4 P4 -","4","1","","Wei, Jun-Hua; Xiao, Yao; Luo, Jian-Bin; He, Zi-Lin; Chen, Jing-Hua; Peng, Qing-Peng; Kuang, Dai-Bin","Anion–π interaction guided switchable TADF and low-temperature phosphorescence in phosphonium salts for multiplexed anti-counterfeiting","Chemical Science","2025","16","17","7239","7248","10.1039/D5SC00522A","","","0.71073","MoKα","","0.071","0.0545","","","0.1395","0.1465","","","","","","1.092","","","","has coordinates","300579","2025-07-06","14:06:15",""
"1574172","9.6378","0.0008","8.2283","0.0008","32.674","0.003","90","","94.38","0.003","90","","2583.6","0.4","100","2","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H31 B F4 N P -","- C29 H31 B F4 N P -","- C116 H124 B4 F16 N4 P4 -","4","1","","Wei, Jun-Hua; Xiao, Yao; Luo, Jian-Bin; He, Zi-Lin; Chen, Jing-Hua; Peng, Qing-Peng; Kuang, Dai-Bin","Anion–π interaction guided switchable TADF and low-temperature phosphorescence in phosphonium salts for multiplexed anti-counterfeiting","Chemical Science","2025","16","17","7239","7248","10.1039/D5SC00522A","","","0.71073","MoKα","","0.0639","0.043","","","0.096","0.1078","","","","","","1.046","","","","has coordinates","300579","2025-07-06","14:06:16",""
"1574173","9.2871","0.0003","13.5822","0.0005","21.8141","0.0008","90","","90","","90","","2751.61","0.17","100","2","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H31 F3 N O3 P S -","- C30 H31 F3 N O3 P S -","- C120 H124 F12 N4 O12 P4 S4 -","4","1","","Wei, Jun-Hua; Xiao, Yao; Luo, Jian-Bin; He, Zi-Lin; Chen, Jing-Hua; Peng, Qing-Peng; Kuang, Dai-Bin","Anion–π interaction guided switchable TADF and low-temperature phosphorescence in phosphonium salts for multiplexed anti-counterfeiting","Chemical Science","2025","16","17","7239","7248","10.1039/D5SC00522A","","","0.71073","MoKα","","0.0387","0.0332","","","0.0731","0.0767","","","","","","1.049","","","","has coordinates","300579","2025-07-06","14:06:16",""
"1574174","11.896","0.006","12.504","0.006","14.801","0.007","90","","99.23","0.007","90","","2173.1","1.8","143","2","143","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","H-H","H-H","","- C22 H24 B10 -","- C22 H24 B10 -","- C88 H96 B40 -","4","1","","Yuhara, Kazuhiro; Tanaka, Kazuo","Solid-state temperature-dependent luminescence of C,C′-diaryl-o-carboranes based on restriction of excited-state structural relaxation","Chemical Science","2025","16","15","6495","6506","10.1039/D5SC00875A","","","0.71075","MoKα","","0.1913","0.1187","","","0.1853","0.2188","","","","","","1.13","","","","has coordinates","300640","2025-07-06","14:34:35",""
"1574175","30.14","0.007","10.366","0.002","17.799","0.004","90","","123.658","0.002","90","","4628.7","1.7","143","2","143","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Br-Br","Br-Br","","- C22 H22 B10 Br2 -","- C22 H22 B10 Br2 -","- C176 H176 B80 Br16 -","8","1","","Yuhara, Kazuhiro; Tanaka, Kazuo","Solid-state temperature-dependent luminescence of C,C′-diaryl-o-carboranes based on restriction of excited-state structural relaxation","Chemical Science","2025","16","15","6495","6506","10.1039/D5SC00875A","","","0.71075","MoKα","","0.0421","0.0281","","","0.0611","0.0631","","","","","","0.824","","","","has coordinates","300640","2025-07-06","14:34:35",""
"1574176","9.459","0.004","11.316","0.005","12.775","0.006","109.65","0.005","100.826","0.003","99.41","0.005","1226.3","0.9","143","2","143","2","","","","","","","","4","P -1","-P 1","2","T-H","T-H","","- C26 H26 B10 S -","- C26 H26 B10 S -","- C52 H52 B20 S2 -","2","1","","Yuhara, Kazuhiro; Tanaka, Kazuo","Solid-state temperature-dependent luminescence of C,C′-diaryl-o-carboranes based on restriction of excited-state structural relaxation","Chemical Science","2025","16","15","6495","6506","10.1039/D5SC00875A","","","0.71075","MoKα","","0.0649","0.0416","","","0.0944","0.099","","","","","","0.872","","","","has coordinates","300640","2025-07-06","14:34:35",""
"1574177","30.08","0.008","10.105","0.003","17.857","0.005","90","","124.97","0.003","90","","4448","2","143","2","143","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Br-H","Br-H","","- C22 H23 B10 Br -","- C22 H23 B10 Br -","- C176 H184 B80 Br8 -","8","1","","Yuhara, Kazuhiro; Tanaka, Kazuo","Solid-state temperature-dependent luminescence of C,C′-diaryl-o-carboranes based on restriction of excited-state structural relaxation","Chemical Science","2025","16","15","6495","6506","10.1039/D5SC00875A","","","0.71075","MoKα","","0.0486","0.037","","","0.1031","0.1153","","","","","","0.777","","","","has coordinates","300640","2025-07-06","14:34:35",""
"1574178","11.912","0.002","12.511","0.002","14.825","0.003","90","","99.261","0.003","90","","2180.6","0.7","208","2","208","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","H-H","","- C22 H24 B10 -","- C22 H24 B10 -","- C88 H96 B40 -","4","1","","Yuhara, Kazuhiro; Tanaka, Kazuo","Solid-state temperature-dependent luminescence of C,C′-diaryl-o-carboranes based on restriction of excited-state structural relaxation","Chemical Science","2025","16","15","6495","6506","10.1039/D5SC00875A","","","0.71075","MoKα","","0.06","0.0462","","","0.1201","0.1294","","","","","","1.083","","","","has coordinates","300640","2025-07-06","14:34:35",""
"1574179","11.91","0.003","12.514","0.003","14.838","0.003","90","","99.142","0.003","90","","2183.4","0.9","243","2","243","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","H-H","","- C22 H24 B10 -","- C22 H24 B10 -","- C88 H96 B40 -","4","1","","Yuhara, Kazuhiro; Tanaka, Kazuo","Solid-state temperature-dependent luminescence of C,C′-diaryl-o-carboranes based on restriction of excited-state structural relaxation","Chemical Science","2025","16","15","6495","6506","10.1039/D5SC00875A","","","0.71075","MoKα","","0.0639","0.0488","","","0.1263","0.1381","","","","","","0.962","","","","has coordinates","300640","2025-07-06","14:34:35",""
"1574180","11.075","0.004","19.436","0.008","13.485","0.005","90","","97.585","0.007","90","","2877.3","1.9","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","T-T","T-T","","- C30 H28 B10 S2 -","- C30 H28 B10 S2 -","- C120 H112 B40 S8 -","4","1","","Yuhara, Kazuhiro; Tanaka, Kazuo","Solid-state temperature-dependent luminescence of C,C′-diaryl-o-carboranes based on restriction of excited-state structural relaxation","Chemical Science","2025","16","15","6495","6506","10.1039/D5SC00875A","","","0.71075","MoKα","","0.1054","0.0742","","","0.1658","0.1864","","","","","","1.092","","","","has coordinates,has disorder","300640","2025-07-06","14:34:35",""
"1574181","10.6028","0.001","14.0739","0.0012","18.2273","0.0016","79.307","0.004","73.787","0.004","73.152","0.004","2483.4","0.4","200","0.2","200","0.2","","","","","","","","7","P 1","P 1","1","","","","- C26.25 H23.5 Br Cl0.5 N O2 P -","- C26.25 H23.5 Br Cl0.5 N O2 P -","- C105 H94 Br4 Cl2 N4 O8 P4 -","4","4","","Luo, Shihui; Yuan, Xinzhu; Cheng, Jiangtao; Yang, Zhiping; Huang, Zhongxing; Wang, Jun (Joelle)","Enantioselective Zn-catalyzed hydrophosphinylation of nitrones: an efficient approach for constructing chiral α-hydroxyamino-phosphine oxides","Chemical Science","2025","16","16","7051","7056","10.1039/D5SC01453K","","x-ray","1.34138","GaKα","","0.0701","0.0628","","","0.1795","0.187","","","","","","1.111","","","","has coordinates,has disorder","300603","2025-07-06","14:15:53",""
"1574182","41.575","0.003","41.575","0.003","17.6054","0.0018","90","","90","","120","","26354","4","170","","170","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C66 H46 B2 N2 O2 -","- C66 H46 B2 N2 O2 -","- C1188 H828 B36 N36 O36 -","18","1","","Wang, Xiaowei; Hua, Tao; Li, Nengquan; Chen, Guohao; Chen, Zhanxiang; Miao, Jingsheng; Cao, Xiaosong; Yang, Chuluo","Narrowband multi-resonance pure-red emitters via enhanced molecular orbital delocalization for high-performance organic light-emitting diodes","Chemical Science","2025","16","17","7495","7502","10.1039/D5SC01439E","","","1.34139","GaKα","","0.1575","0.0881","","","0.2167","0.265","","","","","","0.965","","","","has coordinates","300589","2025-07-06","14:10:45",""
"1574183","7.2681","0.0008","10.3927","0.001","19.5823","0.0019","89.272","0.003","87.184","0.004","87.05","0.004","1475.3","0.3","130","0.5","130","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C28 H34 Br K0.89 N2 Na0.11 O10 -","- C28 H34 Br K0.886 N2 Na0.114 O10 -","- C56 H68 Br2 K1.772 N4 Na0.228 O20 -","2","1","","Zaleskaya-Hernik, Marta; Salam, Rayhanus; González, Mario J.; Wilczek, Marcin; Dobrzycki, Łukasz; Busschaert, Nathalie; Romański, Jan","Squaramide-based ion pair receptors can facilitate transmembrane transport of KCl and zwitterions including highly polar amino acids","Chemical Science","2025","16","16","6982","6990","10.1039/D5SC00866B","","","0.71073","MoKα","","0.0557","0.0484","","","0.1048","0.1078","","","","","","1.212","","","","has coordinates,has disorder","300605","2025-07-06","14:16:34",""
"1574186","20.1153","0.0003","24.4281","0.0003","15.72562","0.00018","90","","89.9918","0.0011","90","","7727.23","0.17","220","0.15","220","0.15","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C80 H60 N6 O13 -","- C80 H60 N6 O13 -","- C320 H240 N24 O52 -","4","1","","Cui, Jialin; Wang, Hui; Liu, Hui; Yu, Hailong; Wang, Wei; Wang, Yu; Zhao, Yingjie","Single-crystal chiral two-dimensional supramolecular organic frameworks for tunable circularly polarized luminescence","Chemical Science","2025","16","17","7513","7522","10.1039/D4SC08811E","","x-ray","1.54184","CuKα","","0.0539","0.0477","","","0.1372","0.1442","","","","","","1.041","","","","has coordinates,has disorder","300586","2025-07-06","14:09:10",""
"1574187","24.6956","0.0004","24.6956","0.0004","25.1324","0.0005","90","","90","","120","","13274.1","0.4","100","0.1","100","0.1","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C55 H38 Cl4 N4 O8 -","- C55 H38 Cl4 N4 O8 -","- C495 H342 Cl36 N36 O72 -","9","0.5","","Cui, Jialin; Wang, Hui; Liu, Hui; Yu, Hailong; Wang, Wei; Wang, Yu; Zhao, Yingjie","Single-crystal chiral two-dimensional supramolecular organic frameworks for tunable circularly polarized luminescence","Chemical Science","2025","16","17","7513","7522","10.1039/D4SC08811E","","x-ray","1.54184","CuKα","","0.0767","0.0727","","","0.2146","0.2201","","","","","","1.089","","","","has coordinates,has disorder","300586","2025-07-06","14:09:11",""
"1574188","24.0509","0.0004","24.0509","0.0004","25.9832","0.0004","90","","90","","120","","13016.3","0.4","99.98","0.1","99.98","0.1","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C193 H141 Cl21 N12 O24 -","- C193.003 H141.005 Cl21.006 N12 O24 -","- C579.01 H423.014 Cl63.018 N36 O72 -","3","0.166667","","Cui, Jialin; Wang, Hui; Liu, Hui; Yu, Hailong; Wang, Wei; Wang, Yu; Zhao, Yingjie","Single-crystal chiral two-dimensional supramolecular organic frameworks for tunable circularly polarized luminescence","Chemical Science","2025","16","17","7513","7522","10.1039/D4SC08811E","","x-ray","1.54184","CuKα","","0.0721","0.0681","","","0.1871","0.1907","","","","","","1.067","","","","has coordinates,has disorder","300586","2025-07-06","14:09:13",""
"1574189","24.712","0.0005","24.712","0.0005","25.1045","0.0005","90","","90","","120","","13276.9","0.5","99.98","0.1","99.98","0.1","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C55 H38 Cl4 N4 O8 -","- C55 H38 Cl4 N4 O8 -","- C495 H342 Cl36 N36 O72 -","9","0.5","","Cui, Jialin; Wang, Hui; Liu, Hui; Yu, Hailong; Wang, Wei; Wang, Yu; Zhao, Yingjie","Single-crystal chiral two-dimensional supramolecular organic frameworks for tunable circularly polarized luminescence","Chemical Science","2025","16","17","7513","7522","10.1039/D4SC08811E","","x-ray","1.54184","CuKα","","0.0786","0.0749","","","0.2226","0.2266","","","","","","1.093","","","","has coordinates,has disorder","300586","2025-07-06","14:09:13",""
"1574190","24.6536","0.0008","24.6536","0.0008","25.2258","0.0012","90","","90","","120","","13278.1","0.9","298","2","298","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C57 H40 Cl2 N4 O8 -","- C57 H40 Cl2 N4 O8 -","- C513 H360 Cl18 N36 O72 -","9","1","","Cui, Jialin; Wang, Hui; Liu, Hui; Yu, Hailong; Wang, Wei; Wang, Yu; Zhao, Yingjie","Single-crystal chiral two-dimensional supramolecular organic frameworks for tunable circularly polarized luminescence","Chemical Science","2025","16","17","7513","7522","10.1039/D4SC08811E","","x-ray","0.71073","MoKα","","0.093","0.0558","","","0.145","0.1607","","","","","","1.07","","","","has coordinates,has disorder","300586","2025-07-06","14:09:13",""
"1574191","24.0472","0.0004","24.0472","0.0004","25.966","0.0005","90","","90","","120","","13003.6","0.4","99.99","0.1","99.99","0.1","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- C180 H120 N12 O24 -","- C180 H120 N12 O24 -","- C540 H360 N36 O72 -","3","0.166667","","Cui, Jialin; Wang, Hui; Liu, Hui; Yu, Hailong; Wang, Wei; Wang, Yu; Zhao, Yingjie","Single-crystal chiral two-dimensional supramolecular organic frameworks for tunable circularly polarized luminescence","Chemical Science","2025","16","17","7513","7522","10.1039/D4SC08811E","","x-ray","1.54184","CuKα","","0.1251","0.1157","","","0.2923","0.304","","","","","","1.046","","","","has coordinates","300586","2025-07-06","14:09:13",""
"1574192","25.5478","0.0005","20.7666","0.0002","31.3909","0.0005","90","","110.188","0.002","90","","15631","0.5","100","0.4","100","0.4","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C84 H80 Cl6 O4 S2 -","- C84 H80 Cl6 O4 S2 -","- C672 H640 Cl48 O32 S16 -","8","1","","Zhang, Ruiying; Chen, Xinyu; Zhu, Lingyun; Huang, Yanxia; Zhai, Zi'ang; Wang, Qiang; Wang, Lingding; Wang, Taosong; Wang, Wei-Zhen; Ye, Ke-Yin; Li, Yuanming","Thiophene-backbone arcuate graphene nanoribbons: shotgun synthesis and length dependent properties","Chemical Science","2025","16","17","7366","7373","10.1039/D4SC08353A","","x-ray","1.3405","GaKα","","0.095","0.0842","","","0.2435","0.2535","","","","","","1.034","","","","has coordinates","300582","2025-07-06","14:07:17",""
"1574193","10.3995","0.0002","16.4712","0.0002","40.5773","0.0005","90","","91.448","0.001","90","","6948.36","0.18","100","0.9","100","0.9","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C82 H78 S2 -","- C82 H78 S2 -","- C328 H312 S8 -","4","1","","Zhang, Ruiying; Chen, Xinyu; Zhu, Lingyun; Huang, Yanxia; Zhai, Zi'ang; Wang, Qiang; Wang, Lingding; Wang, Taosong; Wang, Wei-Zhen; Ye, Ke-Yin; Li, Yuanming","Thiophene-backbone arcuate graphene nanoribbons: shotgun synthesis and length dependent properties","Chemical Science","2025","16","17","7366","7373","10.1039/D4SC08353A","","x-ray","1.3405","micro-focusmetaljet","","0.0897","0.0791","","","0.2132","0.2214","","","","","","1.047","","","","has coordinates","300582","2025-07-06","14:07:18",""
"1574195","11.6654","0.0009","19.2138","0.0015","19.8632","0.0016","93.254","0.002","103.495","0.002","105.235","0.002","4143.8","0.6","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C40.5 H61 Mo O3 P2 S -","- C40.5 H61 Mo O3 P2 S -","- C162 H244 Mo4 O12 P8 S4 -","4","2","","Mandal, Souvik; Zhou, Xiaoguang; Bruch, Quinton J.; Allen, Rachel N.; Giordano, Laurence W.; Walker, Nicholas J. I.; Emge, Thomas J.; Hasanayn, Faraj; Miller, Alexander J. M.; Malakar, Santanu; Goldman, Alan S.","Dinitrogen reduction to ammonia with a pincer-Mo complex: new insights into the mechanism of nitride-to-ammonia conversion","Chemical Science","2025","16","17","7347","7365","10.1039/D5SC00454C","","","0.71073","MoKα","","0.0856","0.0639","","","0.1372","0.1464","","","","","","1.099","","","","has coordinates,has disorder","300583","2025-07-06","14:07:53",""
"1574196","10.0985","0.0017","12.043","0.002","16.428","0.003","76.957","0.003","82.444","0.003","73.782","0.003","1863.9","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H55 I Mo N P2 S -","- C35 H55 I Mo N P2 S -","- C70 H110 I2 Mo2 N2 P4 S2 -","2","1","","Mandal, Souvik; Zhou, Xiaoguang; Bruch, Quinton J.; Allen, Rachel N.; Giordano, Laurence W.; Walker, Nicholas J. I.; Emge, Thomas J.; Hasanayn, Faraj; Miller, Alexander J. M.; Malakar, Santanu; Goldman, Alan S.","Dinitrogen reduction to ammonia with a pincer-Mo complex: new insights into the mechanism of nitride-to-ammonia conversion","Chemical Science","2025","16","17","7347","7365","10.1039/D5SC00454C","","","0.71073","MoKα","","0.1065","0.0705","","","0.1396","0.1546","","","","","","1.066","","","","has coordinates","300583","2025-07-06","14:07:53",""
"1574197","31.877","0.008","14.204","0.004","18.861","0.005","90","","90","","90","","8540","4","426","2","426","2","","","","","","","","7","P c c a","-P 2a 2ac","54","","","","- C41 H65.5 Mo N O2 P2 S -","- C41 H65.5 Mo N O2 P2 S -","- C328 H524 Mo8 N8 O16 P16 S8 -","8","1","","Mandal, Souvik; Zhou, Xiaoguang; Bruch, Quinton J.; Allen, Rachel N.; Giordano, Laurence W.; Walker, Nicholas J. I.; Emge, Thomas J.; Hasanayn, Faraj; Miller, Alexander J. M.; Malakar, Santanu; Goldman, Alan S.","Dinitrogen reduction to ammonia with a pincer-Mo complex: new insights into the mechanism of nitride-to-ammonia conversion","Chemical Science","2025","16","17","7347","7365","10.1039/D5SC00454C","","","0.71073","MoKα","","0.1222","0.0913","","","0.1875","0.2014","","","","","","1.166","","","","has coordinates,has disorder","300583","2025-07-06","14:07:53",""
"1574198","18.017","0.003","13.531","0.003","18.041","0.003","90","","97.035","0.003","90","","4365.1","1.4","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41 H63 Cl I Mo N P2 S -","- C41 H63 Cl I Mo N P2 S -","- C164 H252 Cl4 I4 Mo4 N4 P8 S4 -","4","1","","Mandal, Souvik; Zhou, Xiaoguang; Bruch, Quinton J.; Allen, Rachel N.; Giordano, Laurence W.; Walker, Nicholas J. I.; Emge, Thomas J.; Hasanayn, Faraj; Miller, Alexander J. M.; Malakar, Santanu; Goldman, Alan S.","Dinitrogen reduction to ammonia with a pincer-Mo complex: new insights into the mechanism of nitride-to-ammonia conversion","Chemical Science","2025","16","17","7347","7365","10.1039/D5SC00454C","","","0.71073","MoKα","","0.0706","0.0574","","","0.1452","0.1541","","","","","","1.095","","","","has coordinates,has disorder","300583","2025-07-06","14:07:53",""
"1574199","31.9495","0.0003","14.14073","0.00019","18.9898","0.0002","90","","90","","90","","8579.39","0.17","100","2","100","2","","","","","","","","7","P c c a","-P 2a 2ac","54","","","","- C38 H63.5 Mo N5 O0.75 P2 S -","- C38 H63.5 Mo N5 O0.75 P2 S -","- C304 H508 Mo8 N40 O6 P16 S8 -","8","1","","Mandal, Souvik; Zhou, Xiaoguang; Bruch, Quinton J.; Allen, Rachel N.; Giordano, Laurence W.; Walker, Nicholas J. I.; Emge, Thomas J.; Hasanayn, Faraj; Miller, Alexander J. M.; Malakar, Santanu; Goldman, Alan S.","Dinitrogen reduction to ammonia with a pincer-Mo complex: new insights into the mechanism of nitride-to-ammonia conversion","Chemical Science","2025","16","17","7347","7365","10.1039/D5SC00454C","","","1.54184","CuKα","","0.0667","0.0546","","","0.1249","0.1318","","","","","","1.109","","","","has coordinates,has disorder","300583","2025-07-06","14:07:53",""
"1574200","37.379","0.003","11.6548","0.0011","37.069","0.003","90","","90.266","0.003","90","","16149","2","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H60 Cl3 Mo O0.5 P2 S -","- C37 H60 Cl2.9985 Mo0.9995 O0.5 P2 S -","- C592 H960 Cl47.976 Mo15.992 O8 P32 S16 -","16","2","","Mandal, Souvik; Zhou, Xiaoguang; Bruch, Quinton J.; Allen, Rachel N.; Giordano, Laurence W.; Walker, Nicholas J. I.; Emge, Thomas J.; Hasanayn, Faraj; Miller, Alexander J. M.; Malakar, Santanu; Goldman, Alan S.","Dinitrogen reduction to ammonia with a pincer-Mo complex: new insights into the mechanism of nitride-to-ammonia conversion","Chemical Science","2025","16","17","7347","7365","10.1039/D5SC00454C","","","0.71073","MoKα","","0.1393","0.0846","","","0.1713","0.1951","","","","","","1.052","","","","has coordinates,has disorder","300583","2025-07-06","14:07:53",""
"1574201","4.9533","0.001","16.174","0.003","32.778","0.006","101.872","0.003","93.3","0.004","97.149","0.004","2540.5","0.8","130","2","130","2","","","","","","","","6","P -1","-P 1","2","Celecoxib form I","4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide","","- C17 H14 F3 N3 O2 S -","- C17 H14 F3 N3 O2 S -","- C102 H84 F18 N18 O12 S6 -","6","3","","Zhou, Zhengzheng; Joshi, Vikram Chandrashekhar; Guo, Yiwang; Xiang, Tianyi; Wang, Zijian; Sun, Changquan Calvin","How elastically flexible can molecular crystals be? - a new record.","Chemical science","2025","16","14","5797","5802","10.1039/d5sc01260k","","","0.71073","MoKα","","0.0667","0.0442","","","0.0932","0.1026","","","","","","1.041","","","","has coordinates","298829","2025-04-05","02:31:39",""
"1574203","17.014","0.0002","9.10342","0.00011","18.838","0.0003","90","","90","","90","","2917.73","0.07","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C32 H32 F3 O4 P S -","- C32 H32 F3 O4 P S -","- C128 H128 F12 O16 P4 S4 -","4","1","","Curran, Dara T.; Szydło, Marcin; Müller-Bunz, Helge; Nikitin, Kirill; Byrne, Peter A.","Direct synthesis of ethers from alcohols & aldehydes enabled by an oxocarbenium ion interception strategy","Chemical Science","2025","16","16","6991","7003","10.1039/D4SC06203E","","","0.71073","MoKα","","0.0341","0.0304","","","0.0671","0.0701","","","","","","1.062","","","","has coordinates","300606","2025-07-06","14:16:45",""
"1574204","9.49648","0.00007","16.7085","0.00012","18.7984","0.00013","90","","95.9804","0.0006","90","","2966.55","0.04","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H25 Cl3 F3 O4 P S -","- C29 H25 Cl3 F3 O4 P S -","- C116 H100 Cl12 F12 O16 P4 S4 -","4","1","","Curran, Dara T.; Szydło, Marcin; Müller-Bunz, Helge; Nikitin, Kirill; Byrne, Peter A.","Direct synthesis of ethers from alcohols & aldehydes enabled by an oxocarbenium ion interception strategy","Chemical Science","2025","16","16","6991","7003","10.1039/D4SC06203E","","","1.54184","CuKα","","0.0418","0.04","","","0.1044","0.1059","","","","","","1.045","","","","has coordinates","300606","2025-07-06","14:16:46",""
"1574205","9.7701","0.0002","13.8333","0.0002","25.5578","0.0004","90","","95.956","0.002","90","","3435.56","0.1","149.99","0.11","149.99","0.11","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 N10 O12 Zn2 -","- C32 H32 N10 O12 Zn2 -","- C128 H128 N40 O48 Zn8 -","4","0.5","","Koirala, Shailendra; Gaspar, Miguel A.; Wijesundara, Yalini H.; Li, Dong-Hao; Gadhvi, Jashkaran G.; Ehrman, Ryanne N.; Cornelius, Samuel A.; Mariasoosai, Charles; Nguyen, Thien-Quang N.; Trashi, Orikeda; Trashi, Ikeda; Kumari, Sneha; Hagge, Laurel M.; Howlett, Thomas S.; Torabifard, Hedieh; Smith, Bradley D.; De Nisco, Nicole J.; Gassensmith, Jeremiah J.","Fluorescent molecular probe for in vivo and in vitro targeting and imaging of an intracellular bacterial infection","Chemical Science","2025","16","18","7902","7911","10.1039/D4SC05680A","","x-ray","1.54184","CuKα","","0.0388","0.0345","","","0.0879","0.0904","","","","","","1.048","","","","has coordinates","300654","2025-07-06","14:41:47",""
"1574206","10.165","0.0003","10.5732","0.0004","20.3723","0.0008","100.082","0.003","101.234","0.003","94.294","0.003","2100.92","0.14","149.99","0.13","149.99","0.13","","","","","","","","6","P -1","-P 1","2","","","","- C38 H37 F6 N9 O11 Zn2 -","- C38 H37 F6 N9 O11 Zn2 -","- C76 H74 F12 N18 O22 Zn4 -","2","1","","Koirala, Shailendra; Gaspar, Miguel A.; Wijesundara, Yalini H.; Li, Dong-Hao; Gadhvi, Jashkaran G.; Ehrman, Ryanne N.; Cornelius, Samuel A.; Mariasoosai, Charles; Nguyen, Thien-Quang N.; Trashi, Orikeda; Trashi, Ikeda; Kumari, Sneha; Hagge, Laurel M.; Howlett, Thomas S.; Torabifard, Hedieh; Smith, Bradley D.; De Nisco, Nicole J.; Gassensmith, Jeremiah J.","Fluorescent molecular probe for in vivo and in vitro targeting and imaging of an intracellular bacterial infection","Chemical Science","2025","16","18","7902","7911","10.1039/D4SC05680A","","x-ray","1.54184","CuKα","","0.0373","0.0349","","","0.0948","0.0964","","","","","","1.069","","","","has coordinates","300654","2025-07-06","14:41:48",""
"1574207","12.061","0.003","15.143","0.004","12.602","0.003","90","","97.363","0.006","90","","2282.6","1","100","","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","KT-75","","- C36 H64 Cr O2 Si5 -","- C36 H64 Cr O2 Si5 -","- C72 H128 Cr2 O4 Si10 -","2","0.5","","Tomer, Kanishk; Schnakenburg, Gregor; Das, Ujjal; Filippou, Alexander C.","Metal–silicon triple bonds: reactivity of the silylidyne complexes [Cp*(CO)2M≡Si–Tbb] (M = Cr – W)","Chemical Science","2025","16","18","7773","7793","10.1039/D5SC01063B","","x-ray","0.71073","MoKα","","0.1195","0.083","","","0.23","0.2701","","","","","","1.025","","","","has coordinates,has disorder","300652","2025-07-06","14:40:19",""
"1574208","11.5444","0.0003","12.8236","0.0004","15.6549","0.0005","75.7391","0.0015","73.0022","0.0015","83.412","0.0015","2145.74","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","","SH-50.03","","- C36 H64 O2 Si5 W -","- C36 H64 O2 Si5 W -","- C72 H128 O4 Si10 W2 -","2","1","","Tomer, Kanishk; Schnakenburg, Gregor; Das, Ujjal; Filippou, Alexander C.","Metal–silicon triple bonds: reactivity of the silylidyne complexes [Cp*(CO)2M≡Si–Tbb] (M = Cr – W)","Chemical Science","2025","16","18","7773","7793","10.1039/D5SC01063B","","","0.71073","MoKα","","0.0328","0.0261","","","0.0488","0.0509","","","","","","1.013","","","","has coordinates","300652","2025-07-06","14:40:19",""
"1574209","14.6764","0.0003","15.6767","0.0003","26.4415","0.0004","90","","93.7959","0.0016","90","","6070.25","0.19","123","","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","KT-54","","- C56 H86 Mo N2 O4 Si5 -","- C56 H86 Mo N2 O4 Si5 -","- C224 H344 Mo4 N8 O16 Si20 -","4","1","","Tomer, Kanishk; Schnakenburg, Gregor; Das, Ujjal; Filippou, Alexander C.","Metal–silicon triple bonds: reactivity of the silylidyne complexes [Cp*(CO)2M≡Si–Tbb] (M = Cr – W)","Chemical Science","2025","16","18","7773","7793","10.1039/D5SC01063B","","","0.71073","MoKα","","0.066","0.0374","","","0.0782","0.0848","","","","","","1.011","","","","has coordinates","300652","2025-07-06","14:40:19",""
"1574210","13.441","0.0002","14.406","0.0002","34.6694","0.0005","90","","99.326","0.001","90","","6624.34","0.17","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","KT-14","","- C63 H94 N2 O4 Si5 W -","- C63 H94 N2 O4 Si5 W -","- C252 H376 N8 O16 Si20 W4 -","4","1","","Tomer, Kanishk; Schnakenburg, Gregor; Das, Ujjal; Filippou, Alexander C.","Metal–silicon triple bonds: reactivity of the silylidyne complexes [Cp*(CO)2M≡Si–Tbb] (M = Cr – W)","Chemical Science","2025","16","18","7773","7793","10.1039/D5SC01063B","","","0.71073","MoKα","","0.0819","0.0393","","","0.0773","0.0856","","","","","","0.876","","","","has coordinates,has disorder","300652","2025-07-06","14:40:19",""
"1574211","12.1671","0.0003","42.6785","0.001","12.6572","0.0004","90","","118.635","0.002","90","","5768.7","0.3","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","KT-167","","- C44 H84 Mo N4 O2 Si7 -","- C44 H84 Mo N4 O2 Si7 -","- C176 H336 Mo4 N16 O8 Si28 -","4","1","","Tomer, Kanishk; Schnakenburg, Gregor; Das, Ujjal; Filippou, Alexander C.","Metal–silicon triple bonds: reactivity of the silylidyne complexes [Cp*(CO)2M≡Si–Tbb] (M = Cr – W)","Chemical Science","2025","16","18","7773","7793","10.1039/D5SC01063B","","","0.71073","MoKα","","0.0863","0.0761","","","0.1797","0.1874","","","","","","1.031","","","","has coordinates,has disorder","300652","2025-07-06","14:40:19",""
"1574212","13.2535","0.0004","22.9327","0.0008","16.6254","0.0005","90","","98.153","0.002","90","","5002","0.3","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","KT-125","","- C45 H75 Mo N O2 Si5 -","- C45 H75 Mo N O2 Si5 -","- C180 H300 Mo4 N4 O8 Si20 -","4","1","","Tomer, Kanishk; Schnakenburg, Gregor; Das, Ujjal; Filippou, Alexander C.","Metal–silicon triple bonds: reactivity of the silylidyne complexes [Cp*(CO)2M≡Si–Tbb] (M = Cr – W)","Chemical Science","2025","16","18","7773","7793","10.1039/D5SC01063B","","","0.71073","MoKα","","0.0818","0.0544","","","0.1089","0.1179","","","","","","1.065","","","","has coordinates","300652","2025-07-06","14:40:19",""
"1574213","11.5351","0.0007","12.8114","0.0007","15.6333","0.0009","75.707","0.003","73.035","0.003","83.321","0.003","2138.9","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","SH-49.02","","- C36 H64 Mo O2 Si5 -","- C36 H64 Mo O2 Si5 -","- C72 H128 Mo2 O4 Si10 -","2","1","","Tomer, Kanishk; Schnakenburg, Gregor; Das, Ujjal; Filippou, Alexander C.","Metal–silicon triple bonds: reactivity of the silylidyne complexes [Cp*(CO)2M≡Si–Tbb] (M = Cr – W)","Chemical Science","2025","16","18","7773","7793","10.1039/D5SC01063B","","","0.71073","MoKα","","0.0835","0.051","","","0.1132","0.1231","","","","","","1.052","","","","has coordinates","300652","2025-07-06","14:40:19",""
"1574214","17.438","0.003","16.527","0.003","33.683","0.01","90","","90","","90","","9707","4","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","KT-284","","- C40 H72 Mo O3 Si5 -","- C40 H72 Mo O3 Si5 -","- C320 H576 Mo8 O24 Si40 -","8","1","","Tomer, Kanishk; Schnakenburg, Gregor; Das, Ujjal; Filippou, Alexander C.","Metal–silicon triple bonds: reactivity of the silylidyne complexes [Cp*(CO)2M≡Si–Tbb] (M = Cr – W)","Chemical Science","2025","16","18","7773","7793","10.1039/D5SC01063B","","","0.71073","MoKα","","0.1427","0.0894","","","0.1756","0.1954","","","","","","1.046","","","","has coordinates,has disorder","300652","2025-07-06","14:40:19",""
"1574215","9.683","0.0001","23.8429","0.0002","28.0717","0.0004","90","","99.385","0.001","90","","6394.19","0.13","100","0.6","100","0.6","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C112 H112 B4 F16 N20 O8 Pd Pt -","- C100 H80 N16 O4 Pd Pt -","- C200 H160 N32 O8 Pd2 Pt2 -","2","0.5","","Gearing, Hayden B.; Cziferszky, Monika; Söhnel, Tilo; Wright, L. James; Crowley, James D.; Hartinger, Christian G.","Pd(μ-L)4Pt vs. Pd(μ-L)4RuCl2: chlorido ancillary ligands as defining factors in the host–guest interactions of M(μ-L)4M′ heterodimetallic supramolecular architectures","Chemical Science","2025","16","17","7294","7301","10.1039/D5SC00209E","","x-ray","1.54184","CuKα","","0.0616","0.0525","","","0.1293","0.1338","","","","","","1.122","","","","has coordinates,has disorder","300578","2025-07-06","14:06:04",""
"1574216","18.039","0.0003","18.039","0.0003","41.9278","0.0011","90","","90","","90","","13643.5","0.5","100","0.1","100","0.1","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C118 H134 Cl2 N16 O13 Pd Ru S9 -","- C102 H86 Cl2 N16 O5 Pd Ru S -","- C408 H344 Cl8 N64 O20 Pd4 Ru4 S4 -","4","0.25","","Gearing, Hayden B.; Cziferszky, Monika; Söhnel, Tilo; Wright, L. James; Crowley, James D.; Hartinger, Christian G.","Pd(μ-L)4Pt vs. Pd(μ-L)4RuCl2: chlorido ancillary ligands as defining factors in the host–guest interactions of M(μ-L)4M′ heterodimetallic supramolecular architectures","Chemical Science","2025","16","17","7294","7301","10.1039/D5SC00209E","","","1.54184","CuKα","","0.0903","0.0591","","","0.1804","0.205","","","","","","0.98","","","","has coordinates,has disorder","300578","2025-07-06","14:06:04",""
"1574217","15.47952","0.00019","19.9749","0.0003","21.2142","0.0003","79.4685","0.0011","84.6071","0.001","73.5233","0.0011","6177.96","0.15","119.99","0.13","119.99","0.13","","","","","","","","9","P -1","-P 1","2","","","","- C128 H128 B2 F8 N22 O16 Pd Pt S2 -","- C113 H93 B2 F8 N17 O11 Pd Pt S2 -","- C226 H186 B4 F16 N34 O22 Pd2 Pt2 S4 -","2","1","","Gearing, Hayden B.; Cziferszky, Monika; Söhnel, Tilo; Wright, L. James; Crowley, James D.; Hartinger, Christian G.","Pd(μ-L)4Pt vs. Pd(μ-L)4RuCl2: chlorido ancillary ligands as defining factors in the host–guest interactions of M(μ-L)4M′ heterodimetallic supramolecular architectures","Chemical Science","2025","16","17","7294","7301","10.1039/D5SC00209E","","","1.54184","CuKα","","0.0557","0.0512","","","0.1339","0.1371","","","","","","1.018","","","","has coordinates,has disorder","300578","2025-07-06","14:06:04",""
"1574218","17.9514","0.0009","7.1173","0.0007","18.5132","0.0009","90","","97.763","0.005","90","","2343.7","0.3","170","2","170","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C66 H54 N2 O2 -","- C66 H55 N2 O2 -","- C132 H110 N4 O4 -","2","1","","Chen, Xu-Lang; Yu, Si-Qian; Zheng, Zi-You; Cheng, Zhao-Yi; Chen, An-Na; Liang, Jia-Qi; Sun, Xin; Zheng, Chunyang; Huang, Xiaohuan; Gong, Han-Yuan","Adaptive nitrogen-containing buckybowl: a versatile receptor for curved and planar aromatic molecules","Chemical Science","2025","16","17","7537","7543","10.1039/D5SC00988J","","","1.54184","CuKα","","0.1263","0.0878","","","0.2223","0.2509","","","","","","0.957","","","","has coordinates,has disorder","300584","2025-07-06","14:08:09",""
"1574219","8.4366","0.0002","11.2441","0.0002","22.9481","0.0005","90","","90","","90","","2176.9","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N2 O4 -","- C24 H30 N2 O4 -","- C96 H120 N8 O16 -","4","1","","Maity, Anirban; Balanna, Kuruva; Daniliuc, Constantin G.; Studer, Armido","Diastereoselective 1,3-nitrooxygenation of bicyclo[1.1.0]butanes","Chemical Science","2025","16","17","7264","7269","10.1039/D4SC08753D","","x-ray","1.54178","CuKα","","0.0315","0.0291","","","0.0685","0.0699","","","","","","1.053","","","","has coordinates,has disorder","300577","2025-07-06","14:05:47",""
"1574220","9.3494","0.0015","11.9607","0.0034","11.0756","0.0031","90","","93.013","0.022","90","","1236.8","0.5","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","As-made PST-21 (134TMP)","zeolite","","- C4 N0.5 O10 Si5 -","- C4 N0.5 O10 Si5 -","- C16 N2 O40 Si20 -","4","1","","Kemp, Kingsley Christian; Altundal, Ömer F.; Jo, Donghui; Huang, Weidong; Wang, Qiang; Deng, Feng; Sastre, German; Hong, Suk Bong","The role of structural defects in the fluoride-mediated synthesis of aluminosilicate zeolites","Chemical Science","2025","16","17","7579","7589","10.1039/D5SC00899A","powder diffraction","x-ray","0.7","synchrotron","","","","","","","","0.06588","","3.6","","","","","","","has coordinates","300591","2025-07-06","14:11:05",""
"1574221","20.8038","0.0006","11.76087","0.00035","10.96997","0.00034","90","","118.744","0.0016","90","","2353.29","0.13","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","As-made PST-22 (135TMP)","zeolite","","- C4 N0.5 O10 Si5 -","- C4 N0.5 O10 Si5 -","- C32 N4 O80 Si40 -","8","1","","Kemp, Kingsley Christian; Altundal, Ömer F.; Jo, Donghui; Huang, Weidong; Wang, Qiang; Deng, Feng; Sastre, German; Hong, Suk Bong","The role of structural defects in the fluoride-mediated synthesis of aluminosilicate zeolites","Chemical Science","2025","16","17","7579","7589","10.1039/D5SC00899A","powder diffraction","x-ray","0.692647","synchrotron","","","","","","","","0.11601","","4.52","","","","","","","has coordinates","300591","2025-07-06","14:11:06",""
"1574222","26.4912","0.0017","11.0501","0.0007","22.145","0.0015","90","","90","","90","","6482.5","0.7","123","2","123","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H26 N4 Pt -","- C24 H26 N4 Pt -","- C192 H208 N32 Pt8 -","8","2","","Dang, Vinh Q.; Jiang, Chenggang; Teets, Thomas S.","Enhanced blue phosphorescence in platinum acetylide complexes via a secondary heavy metal and anion-controlled aggregation","Chemical Science","2025","16","17","7302","7310","10.1039/D5SC00172B","","","0.71073","MoKα","","0.0481","0.0325","","","0.0612","0.0656","","","","","","1.025","","","","has coordinates","300576","2025-07-06","14:05:08",""
"1574223","11.611","0.005","13.011","0.006","21.235","0.009","90","","101.158","0.005","90","","3147","2","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C50 H56 Ag2 Cl4 F12 N8 P2 Pt2 -","- C50 H56 Ag2 Cl4 F12 N8 P2 Pt2 -","- C100 H112 Ag4 Cl8 F24 N16 P4 Pt4 -","2","0.5","","Dang, Vinh Q.; Jiang, Chenggang; Teets, Thomas S.","Enhanced blue phosphorescence in platinum acetylide complexes via a secondary heavy metal and anion-controlled aggregation","Chemical Science","2025","16","17","7302","7310","10.1039/D5SC00172B","","","0.71073","MoKα","","0.0625","0.048","","","0.0936","0.0988","","","","","","1.057","","","","has coordinates","300576","2025-07-06","14:05:35",""
"1574224","11.975","0.003","15.698","0.004","19.951","0.005","79.386","0.003","84.09","0.004","71.728","0.003","3496.3","1.5","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H38 N4 Pt -","- C36 H38 N4 Pt -","- C144 H152 N16 Pt4 -","4","2","","Dang, Vinh Q.; Jiang, Chenggang; Teets, Thomas S.","Enhanced blue phosphorescence in platinum acetylide complexes via a secondary heavy metal and anion-controlled aggregation","Chemical Science","2025","16","17","7302","7310","10.1039/D5SC00172B","","","0.71073","MoKα","","0.0621","0.036","","","0.0703","0.0791","","","","","","0.981","","","","has coordinates,has disorder","300576","2025-07-06","14:05:36",""
"1574225","10.1312","0.0018","13.882","0.003","25.808","0.005","89.634","0.002","78.885","0.002","75.512","0.002","3445","1.2","123.22","","123.22","","","","","","","","","9","P -1","-P 1","2","","","","- C53 H64 Cl2 Cu2 F12 N8 O P2 Pt2 -","- C53 H64 Cl2 Cu2 F12 N8 O P2 Pt2 -","- C106 H128 Cl4 Cu4 F24 N16 O2 P4 Pt4 -","2","1","","Dang, Vinh Q.; Jiang, Chenggang; Teets, Thomas S.","Enhanced blue phosphorescence in platinum acetylide complexes via a secondary heavy metal and anion-controlled aggregation","Chemical Science","2025","16","17","7302","7310","10.1039/D5SC00172B","","","0.71073","MoKα","","0.0542","0.0368","","","0.0852","0.0906","","","","","","1.064","","","","has coordinates","300576","2025-07-06","14:05:38",""
"1574226","11.012","0.006","13.113","0.007","14.893","0.008","80.8","0.04","82.41","0.04","67.88","0.03","1960.6","1.9","250","2","250","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H60 B2 F8 Fe N28 O12 -","- C74 H60 B2 F8 Fe N28 O12 -","- C74 H60 B2 F8 Fe N28 O12 -","1","0.5","","Kaźmierczak, Marcin; Weselski, Marek; Siczek, Miłosz; Wolny, Juliusz A.; Schünemann, Volker; Bronisz, Robert","[2 + 2] Photocyclization converts thermally induced spin crossover effect into “hidden hysteresis” one","Chemical Science","2025","16","18","7884","7893","10.1039/D4SC05587J","","x-ray","0.71073","MoKα","","0.0555","0.0418","","","0.1016","0.1075","","","","","","1.058","","","","has coordinates,has disorder","300647","2025-07-06","14:36:44",""
"1574227","10.747","0.002","13.208","0.003","14.68","0.003","93.24","0.02","99.84","0.02","113.19","0.03","1869.5","0.8","80","2","80","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H60 B2 F8 Fe N28 O12 -","- C74 H60 B2 F8 Fe N28 O12 -","- C74 H60 B2 F8 Fe N28 O12 -","1","0.5","","Kaźmierczak, Marcin; Weselski, Marek; Siczek, Miłosz; Wolny, Juliusz A.; Schünemann, Volker; Bronisz, Robert","[2 + 2] Photocyclization converts thermally induced spin crossover effect into “hidden hysteresis” one","Chemical Science","2025","16","18","7884","7893","10.1039/D4SC05587J","","x-ray","0.71073","MoKα","","0.0463","0.0371","","","0.0922","0.0964","","","","","","1.036","","","","has coordinates","300647","2025-07-06","14:36:46",""
"1574228","4.283","0.004","9.818","0.008","12.062","0.009","84.15","0.04","81.63","0.04","79.92","0.03","492.5","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H8 N4 O2 -","- C11 H8 N4 O2 -","- C22 H16 N8 O4 -","2","1","","Kaźmierczak, Marcin; Weselski, Marek; Siczek, Miłosz; Wolny, Juliusz A.; Schünemann, Volker; Bronisz, Robert","[2 + 2] Photocyclization converts thermally induced spin crossover effect into “hidden hysteresis” one","Chemical Science","2025","16","18","7884","7893","10.1039/D4SC05587J","","x-ray","0.71073","MoKα","","0.093","0.0514","","","0.0931","0.1083","","","","","","1.037","","","","has coordinates","300647","2025-07-06","14:36:54",""
"1574229","10.755","0.002","13.221","0.003","14.686","0.003","93.25","0.02","99.83","0.02","113.15","0.03","1874.1","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H60 B2 F8 Fe N28 O12 -","- C74 H60 B2 F8 Fe N28 O12 -","- C74 H60 B2 F8 Fe N28 O12 -","1","0.5","","Kaźmierczak, Marcin; Weselski, Marek; Siczek, Miłosz; Wolny, Juliusz A.; Schünemann, Volker; Bronisz, Robert","[2 + 2] Photocyclization converts thermally induced spin crossover effect into “hidden hysteresis” one","Chemical Science","2025","16","18","7884","7893","10.1039/D4SC05587J","","x-ray","0.71073","MoKα","","0.0488","0.0386","","","0.0936","0.0977","","","","","","1.058","","","","has coordinates","300647","2025-07-06","14:36:54",""
"1574230","10.816","0.003","13.308","0.004","14.753","0.004","93.25","0.02","99.7","0.02","112.47","0.03","1917.1","1.1","250","2","250","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H60 B2 F8 Fe N28 O12 -","- C74 H60 B2 F8 Fe N28 O12 -","- C74 H60 B2 F8 Fe N28 O12 -","1","0.5","","Kaźmierczak, Marcin; Weselski, Marek; Siczek, Miłosz; Wolny, Juliusz A.; Schünemann, Volker; Bronisz, Robert","[2 + 2] Photocyclization converts thermally induced spin crossover effect into “hidden hysteresis” one","Chemical Science","2025","16","18","7884","7893","10.1039/D4SC05587J","","x-ray","0.71073","MoKα","","0.0571","0.041","","","0.0989","0.1053","","","","","","1.041","","","","has coordinates,has disorder","300647","2025-07-06","14:36:54",""
"1574231","10.71","0.002","12.918","0.003","14.735","0.004","81.53","0.03","82.54","0.03","68.41","0.02","1868.6","0.8","80","2","80","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H60 B2 F8 Fe N28 O12 -","- C74 H60 B2 F8 Fe N28 O12 -","- C74 H60 B2 F8 Fe N28 O12 -","1","0.5","","Kaźmierczak, Marcin; Weselski, Marek; Siczek, Miłosz; Wolny, Juliusz A.; Schünemann, Volker; Bronisz, Robert","[2 + 2] Photocyclization converts thermally induced spin crossover effect into “hidden hysteresis” one","Chemical Science","2025","16","18","7884","7893","10.1039/D4SC05587J","","x-ray","0.71073","MoKα","","0.045","0.0367","","","0.0885","0.0918","","","","","","1.06","","","","has coordinates,has disorder","300647","2025-07-06","14:36:54",""
"1574232","6.597","0.002","12.473","0.004","12.691","0.004","101.07","0.03","99.32","0.03","97.21","0.02","998","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 N8 O4 -","- C22 H16 N8 O4 -","- C44 H32 N16 O8 -","2","1","","Kaźmierczak, Marcin; Weselski, Marek; Siczek, Miłosz; Wolny, Juliusz A.; Schünemann, Volker; Bronisz, Robert","[2 + 2] Photocyclization converts thermally induced spin crossover effect into “hidden hysteresis” one","Chemical Science","2025","16","18","7884","7893","10.1039/D4SC05587J","","x-ray","1.54184","CuKα","","0.0555","0.0514","","","0.1452","0.1497","","","","","","1.077","","","","has coordinates","300647","2025-07-06","14:36:54",""
"1574239","23.4527","0.0004","23.4527","0.0004","12.5316","0.0004","90","","90","","90","","6892.7","0.3","120.1","0.4","120.1","0.4","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C12 H12 Fe0.67 N8 Zn1.33 -","- C12 H12 Fe0.6666 N8 Zn1.3334 -","- C192 H192 Fe10.6656 N128 Zn21.3344 -","16","1","","León-Alcaide, Luis; Castillo-Blas, Celia; Martin-Diaconescu, Vlad; da Silva, Ivan; Keen, David A.; Bennett, Thomas D.; Mínguez Espallargas, Guillermo","Solvent-free approach for the synthesis of heterometallic Fe–Zn-ZIF glass via a melt-quenched process","Chemical Science","2025","16","18","7946","7955","10.1039/D5SC00767D","","x-ray","1.54184","CuKα","","0.0544","0.0417","","","0.1098","0.1199","","","","","","0.986","","","","has coordinates","300650","2025-07-06","14:39:11",""
"1574240","10.3884","0.0001","13.2702","0.0002","10.4428","0.0001","90","","92.554","0.001","90","","1438.17","0.03","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Fe N16 Zn2 -","- C24 H26 Fe N16 Zn2 -","- C48 H52 Fe2 N32 Zn4 -","2","0.5","","León-Alcaide, Luis; Castillo-Blas, Celia; Martin-Diaconescu, Vlad; da Silva, Ivan; Keen, David A.; Bennett, Thomas D.; Mínguez Espallargas, Guillermo","Solvent-free approach for the synthesis of heterometallic Fe–Zn-ZIF glass via a melt-quenched process","Chemical Science","2025","16","18","7946","7955","10.1039/D5SC00767D","","x-ray","1.54184","CuKα","","0.0288","0.0265","","","0.0704","0.076","","","","","","1.108","","","","has coordinates","300650","2025-07-06","14:39:13",""
"1574241","17.517","0.0013","14.5182","0.0009","9.5517","0.0007","90","","90","","90","","2429.1","0.3","297","2","297","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H29 N3 O3 -","- C28 H29 N3 O3 -","- C112 H116 N12 O12 -","4","1","","Patra, Koushik; Deb, Samiran; Kumar Choutipalli, Venkata Surya; Mulani, Sana; Mallik, Sumitava; Subramanian, Venkatesan; Baidya, Mahiuddin","Transforming 2D azolium salts to 3D caged tertiary amines via stereoselective dearomative cascade annulation","Chemical Science","2025","16","17","7551","7559","10.1039/D5SC01527H","","","0.71073","MoKα","","0.0898","0.0743","","","0.1548","0.1627","","","","","","1.135","","","","has coordinates,has disorder","300585","2025-07-06","14:08:21",""
"1574244","24.4631","0.0001","9.3458","0.0001","15.1792","0.0001","90","","106.165","0.001","90","","3333.17","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 B F3 N2 -","- C20 H14 B F3 N2 -","- C160 H112 B8 F24 N16 -","8","2","","Wüst, Leonie; Chorbacher, Johannes; Wellnitz, Tim; Nees, Samuel; Helten, Holger; Braunschweig, Holger","Synthetic access to organyl-substituted 1,2,3-benzodiazaborines with turn-on fluorescence activity","Chemical Science","2025","16","17","7284","7293","10.1039/D5SC01500F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0356","0.0335","","","0.0875","0.0892","","","","","","1.026","","","","has coordinates,has disorder","300580","2025-07-06","14:06:50",""
"1574245","11.2851","0.0002","15.51","0.0002","17.2399","0.0002","90","","90","","90","","3017.53","0.07","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H40 B Li N2 O2 -","- C33 H40 B Li N2 O2 -","- C132 H160 B4 Li4 N8 O8 -","4","1","","Wüst, Leonie; Chorbacher, Johannes; Wellnitz, Tim; Nees, Samuel; Helten, Holger; Braunschweig, Holger","Synthetic access to organyl-substituted 1,2,3-benzodiazaborines with turn-on fluorescence activity","Chemical Science","2025","16","17","7284","7293","10.1039/D5SC01500F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0673","0.0615","","","0.1653","0.1703","","","","","","1.06","","","","has coordinates,has disorder","300580","2025-07-06","14:06:51",""
"1574246","10.5979","0.0001","15.3284","0.0002","11.9288","0.0001","90","","104.056","0.001","90","","1879.8","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 B N2 -","- C23 H23 B N2 -","- C92 H92 B4 N8 -","4","1","","Wüst, Leonie; Chorbacher, Johannes; Wellnitz, Tim; Nees, Samuel; Helten, Holger; Braunschweig, Holger","Synthetic access to organyl-substituted 1,2,3-benzodiazaborines with turn-on fluorescence activity","Chemical Science","2025","16","17","7284","7293","10.1039/D5SC01500F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0418","0.0398","","","0.1032","0.1047","","","","","","1.016","","","","has coordinates","300580","2025-07-06","14:06:51",""
"1574247","11.2275","0.0002","9.6336","0.0002","13.9575","0.0003","90","","101.194","0.002","90","","1480.94","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 B N2 -","- C19 H15 B N2 -","- C76 H60 B4 N8 -","4","1","","Wüst, Leonie; Chorbacher, Johannes; Wellnitz, Tim; Nees, Samuel; Helten, Holger; Braunschweig, Holger","Synthetic access to organyl-substituted 1,2,3-benzodiazaborines with turn-on fluorescence activity","Chemical Science","2025","16","17","7284","7293","10.1039/D5SC01500F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0518","0.0434","","","0.1002","0.1045","","","","","","1.043","","","","has coordinates","300580","2025-07-06","14:06:51",""
"1574248","9.8105","0.0001","16.1727","0.0002","20.3437","0.0003","90","","97.146","0.001","90","","3202.71","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H51 B F N3 -","- C35 H51 B F N3 -","- C140 H204 B4 F4 N12 -","4","1","","Wüst, Leonie; Chorbacher, Johannes; Wellnitz, Tim; Nees, Samuel; Helten, Holger; Braunschweig, Holger","Synthetic access to organyl-substituted 1,2,3-benzodiazaborines with turn-on fluorescence activity","Chemical Science","2025","16","17","7284","7293","10.1039/D5SC01500F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0592","0.0481","","","0.115","0.1205","","","","","","1.092","","","","has coordinates,has disorder","300580","2025-07-06","14:06:51",""
"1574249","13.3766","0.0001","12.6462","0.0001","11.1821","0.0001","90","","110.669","0.001","90","","1769.85","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 B N2 -","- C22 H21 B N2 -","- C88 H84 B4 N8 -","4","1","","Wüst, Leonie; Chorbacher, Johannes; Wellnitz, Tim; Nees, Samuel; Helten, Holger; Braunschweig, Holger","Synthetic access to organyl-substituted 1,2,3-benzodiazaborines with turn-on fluorescence activity","Chemical Science","2025","16","17","7284","7293","10.1039/D5SC01500F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0413","0.0388","","","0.0986","0.1005","","","","","","1.037","","","","has coordinates","300580","2025-07-06","14:06:51",""
"1574250","6.5265","0.0001","9.4226","0.0002","14.2267","0.0002","106.057","0.001","93.734","0.001","100.512","0.002","820.44","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 B N2 O -","- C20 H17 B N2 O -","- C40 H34 B2 N4 O2 -","2","1","","Wüst, Leonie; Chorbacher, Johannes; Wellnitz, Tim; Nees, Samuel; Helten, Holger; Braunschweig, Holger","Synthetic access to organyl-substituted 1,2,3-benzodiazaborines with turn-on fluorescence activity","Chemical Science","2025","16","17","7284","7293","10.1039/D5SC01500F","","x-ray","1.54184","CuKα","K-L~2,3~","0.048","0.0438","","","0.1194","0.1247","","","","","","1.085","","","","has coordinates","300580","2025-07-06","14:06:51",""
"1574251","8.8219","0.0002","9.3512","0.0002","10.407","0.0002","84.139","0.002","68.542","0.002","74.66","0.002","770.54","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H19 B N2 O Si -","- C16 H19 B N2 O Si -","- C32 H38 B2 N4 O2 Si2 -","2","1","","Wüst, Leonie; Chorbacher, Johannes; Wellnitz, Tim; Nees, Samuel; Helten, Holger; Braunschweig, Holger","Synthetic access to organyl-substituted 1,2,3-benzodiazaborines with turn-on fluorescence activity","Chemical Science","2025","16","17","7284","7293","10.1039/D5SC01500F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0288","0.0285","","","0.0783","0.0786","","","","","","1.082","","","","has coordinates","300580","2025-07-06","14:06:51",""
"1574252","23.6005","0.0002","6.8997","0.0001","14.1673","0.0001","90","","90","","90","","2306.95","0.04","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H13 B N2 -","- C14 H13 B N2 -","- C112 H104 B8 N16 -","8","2","","Wüst, Leonie; Chorbacher, Johannes; Wellnitz, Tim; Nees, Samuel; Helten, Holger; Braunschweig, Holger","Synthetic access to organyl-substituted 1,2,3-benzodiazaborines with turn-on fluorescence activity","Chemical Science","2025","16","17","7284","7293","10.1039/D5SC01500F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0349","0.0336","","","0.0899","0.0908","","","","","","1.052","","","","has coordinates","300580","2025-07-06","14:06:51",""
"1574253","12.4734","0.0001","10.9242","0.0001","15.9763","0.0001","90","","90.072","0.001","90","","2176.96","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 B N2 O -","- C13 H11 B N2 O -","- C104 H88 B8 N16 O8 -","8","2","","Wüst, Leonie; Chorbacher, Johannes; Wellnitz, Tim; Nees, Samuel; Helten, Holger; Braunschweig, Holger","Synthetic access to organyl-substituted 1,2,3-benzodiazaborines with turn-on fluorescence activity","Chemical Science","2025","16","17","7284","7293","10.1039/D5SC01500F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0408","0.0382","","","0.1071","0.1092","","","","","","1.053","","","","has coordinates","300580","2025-07-06","14:06:51",""
"1574254","12.2633","0.0001","17.3966","0.0001","16.986","0.0002","90","","105.539","0.001","90","","3491.33","0.06","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41 H56 B N3 -","- C41 H56 B N3 -","- C164 H224 B4 N12 -","4","0.5","","Wüst, Leonie; Chorbacher, Johannes; Wellnitz, Tim; Nees, Samuel; Helten, Holger; Braunschweig, Holger","Synthetic access to organyl-substituted 1,2,3-benzodiazaborines with turn-on fluorescence activity","Chemical Science","2025","16","17","7284","7293","10.1039/D5SC01500F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0431","0.0414","","","0.1029","0.1046","","","","","","1.081","","","","has coordinates,has disorder","300580","2025-07-06","14:06:51",""
"1574255","17.0832","0.0002","10.345","0.0001","18.6658","0.0003","90","","91.804","0.001","90","","3297.09","0.07","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C36 H50 B N4 O -","- C36 H50 B N4 O -","- C144 H200 B4 N16 O4 -","4","2","","Wüst, Leonie; Chorbacher, Johannes; Wellnitz, Tim; Nees, Samuel; Helten, Holger; Braunschweig, Holger","Synthetic access to organyl-substituted 1,2,3-benzodiazaborines with turn-on fluorescence activity","Chemical Science","2025","16","17","7284","7293","10.1039/D5SC01500F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0456","0.0433","","","0.1157","0.1182","","","","","","1.028","","","","has coordinates,has disorder","300580","2025-07-06","14:06:51",""
"1574256","9.5035","0.0002","18.6014","0.0004","19.0874","0.0002","87.741","0.001","87.477","0.001","78.256","0.002","3298.8","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H51 B N4 -","- C35.998 H50.9955 B N4 -","- C143.992 H203.982 B4 N16 -","4","2","","Wüst, Leonie; Chorbacher, Johannes; Wellnitz, Tim; Nees, Samuel; Helten, Holger; Braunschweig, Holger","Synthetic access to organyl-substituted 1,2,3-benzodiazaborines with turn-on fluorescence activity","Chemical Science","2025","16","17","7284","7293","10.1039/D5SC01500F","","x-ray","1.54184","CuKα","K-L~2,3~","0.091","0.0715","","","0.2027","0.2161","","","","","","1.049","","","","has coordinates,has disorder","300580","2025-07-06","14:06:51",""
"1574257","13.4921","0.0004","17.9826","0.0006","5.1708","0.0001","90","","90","","90","","1254.56","0.06","298","","298","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H10 F3 N3 O2 -","- C12 H10 F3 N3 O2 -","- C48 H40 F12 N12 O8 -","4","1","","Ji, Tingting; Yang, Xuesong; Chen, Quanliang; Zhang, Hongyu","Decimeter-length elastic organic crystals capable of mechanical post-processing and optical waveguide modulation at 77 K","Chemical Science","2025","16","18","8099","8107","10.1039/D4SC07313D","","","0.71073","MoKα","","0.0733","0.0455","","","0.0882","0.1","","","","","","1.06","","","","has coordinates,has disorder","300645","2025-07-06","14:36:04",""
"1574258","9.6318","0.0004","6.3855","0.0002","17.9069","0.0007","90","","93.53","0.002","90","","1099.25","0.07","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 F3 N3 O -","- C11 H8 F3 N3 O -","- C44 H32 F12 N12 O4 -","4","1","","Ji, Tingting; Yang, Xuesong; Chen, Quanliang; Zhang, Hongyu","Decimeter-length elastic organic crystals capable of mechanical post-processing and optical waveguide modulation at 77 K","Chemical Science","2025","16","18","8099","8107","10.1039/D4SC07313D","","","0.71073","MoKα","","0.0366","0.0311","","","0.0788","0.0829","","","","","","1.033","","","","has coordinates","300645","2025-07-06","14:36:04",""
"1574259","13.3841","0.0008","17.8129","0.001","5.0896","0.0002","90","","90","","90","","1213.41","0.11","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H10 F3 N3 O2 -","- C12 H10 F3 N3 O2 -","- C48 H40 F12 N12 O8 -","4","1","","Ji, Tingting; Yang, Xuesong; Chen, Quanliang; Zhang, Hongyu","Decimeter-length elastic organic crystals capable of mechanical post-processing and optical waveguide modulation at 77 K","Chemical Science","2025","16","18","8099","8107","10.1039/D4SC07313D","","","0.71073","MoKα","","0.0349","0.031","","","0.079","0.0823","","","","","","1.049","","","","has coordinates,has disorder","300645","2025-07-06","14:36:04",""
"1574260","9.7492","0.0008","6.1659","0.0005","18.7972","0.0016","90","","91.957","0.003","90","","1129.29","0.16","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 F3 N3 O -","- C11 H8 F3 N3 O -","- C44 H32 F12 N12 O4 -","4","1","","Ji, Tingting; Yang, Xuesong; Chen, Quanliang; Zhang, Hongyu","Decimeter-length elastic organic crystals capable of mechanical post-processing and optical waveguide modulation at 77 K","Chemical Science","2025","16","18","8099","8107","10.1039/D4SC07313D","","","0.71073","MoKα","","0.0828","0.0534","","","0.1292","0.1598","","","","","","1.06","","","","has coordinates","300645","2025-07-06","14:36:04",""
"1574261","13.3309","0.0004","17.1204","0.0005","20.0227","0.0006","78.851","0.002","72.034","0.002","84.771","0.002","4262.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C97 H132 B Cl Ge2 O2 -","- C97 H132 B Cl Ge2 O2 -","- C194 H264 B2 Cl2 Ge4 O4 -","2","1","","Kern, Ralf H.; Hiller, Noemi; Eichele, Klaus; Schubert, Hartmut; Tönshoff, Christina; Bettinger, Holger F.; Wesemann, Lars","Boradigermaallyl: inhibition of CH bond activation by borane CO adduct formation followed by CO insertion","Chemical Science","2025","16","18","7759","7765","10.1039/D5SC00881F","","","0.71073","MoKα","","0.0637","0.0412","","","0.0957","0.1049","","","","","","1.019","","","","has coordinates","300653","2025-07-06","14:40:56",""
"1574262","14.1976","0.0003","14.5282","0.0003","22.8599","0.0004","87.845","0.001","74.458","0.001","75.249","0.001","4390.7","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H127 B Cl Ge2 O3 -","- C100 H126 B Cl Ge2 O3 -","- C200 H252 B2 Cl2 Ge4 O6 -","2","1","","Kern, Ralf H.; Hiller, Noemi; Eichele, Klaus; Schubert, Hartmut; Tönshoff, Christina; Bettinger, Holger F.; Wesemann, Lars","Boradigermaallyl: inhibition of CH bond activation by borane CO adduct formation followed by CO insertion","Chemical Science","2025","16","18","7759","7765","10.1039/D5SC00881F","","","0.71073","MoKα","","0.0895","0.0555","","","0.1163","0.1299","","","","","","1.015","","","","has coordinates","300653","2025-07-06","14:40:57",""
"1574263","19.5707","0.0006","18.9384","0.0006","26.3009","0.0008","90","","107.021","0.002","90","","9321.1","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C106 H140 B Cl Ge2 O2 -","- C106 H140 B Cl Ge2 O2 -","- C424 H560 B4 Cl4 Ge8 O8 -","4","1","","Kern, Ralf H.; Hiller, Noemi; Eichele, Klaus; Schubert, Hartmut; Tönshoff, Christina; Bettinger, Holger F.; Wesemann, Lars","Boradigermaallyl: inhibition of CH bond activation by borane CO adduct formation followed by CO insertion","Chemical Science","2025","16","18","7759","7765","10.1039/D5SC00881F","","","0.71073","MoKα","","0.0544","0.0351","","","0.0875","0.0992","","","","","","1.027","","","","has coordinates","300653","2025-07-06","14:41:05",""
"1574264","13.5962","0.0004","16.671","0.0005","20.1773","0.0006","81.8234","0.0016","87.251","0.0015","84.0915","0.0014","4500.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C95 H116 B Cl Ge2 O -","- C95 H116 B Cl Ge2 O -","- C190 H232 B2 Cl2 Ge4 O2 -","2","1","","Kern, Ralf H.; Hiller, Noemi; Eichele, Klaus; Schubert, Hartmut; Tönshoff, Christina; Bettinger, Holger F.; Wesemann, Lars","Boradigermaallyl: inhibition of CH bond activation by borane CO adduct formation followed by CO insertion","Chemical Science","2025","16","18","7759","7765","10.1039/D5SC00881F","","","0.71073","MoKα","","0.0536","0.0377","","","0.1042","0.1114","","","","","","1.038","","","","has coordinates","300653","2025-07-06","14:41:06",""
"1574265","13.7734","0.0004","16.6004","0.0005","20.096","0.0007","83.116","0.002","85.997","0.002","84.814","0.002","4534.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C95 H118 B Cl Ge2 O -","- C95 H118 B Cl Ge2 O -","- C190 H236 B2 Cl2 Ge4 O2 -","2","1","","Kern, Ralf H.; Hiller, Noemi; Eichele, Klaus; Schubert, Hartmut; Tönshoff, Christina; Bettinger, Holger F.; Wesemann, Lars","Boradigermaallyl: inhibition of CH bond activation by borane CO adduct formation followed by CO insertion","Chemical Science","2025","16","18","7759","7765","10.1039/D5SC00881F","","","0.71073","MoKα","","0.1038","0.0638","","","0.1498","0.1678","","","","","","1.04","","","","has coordinates,has disorder","300653","2025-07-06","14:41:15",""
"1574266","25.9105","0.0014","14.4062","0.0008","28.4018","0.0016","90","","109.755","0.003","90","","9977.7","1","120","2","120","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C114.5 H150 B Cl Ge2 O2 -","- C114.5 H150 B Cl Ge2 O2 -","- C458 H600 B4 Cl4 Ge8 O8 -","4","1","","Kern, Ralf H.; Hiller, Noemi; Eichele, Klaus; Schubert, Hartmut; Tönshoff, Christina; Bettinger, Holger F.; Wesemann, Lars","Boradigermaallyl: inhibition of CH bond activation by borane CO adduct formation followed by CO insertion","Chemical Science","2025","16","18","7759","7765","10.1039/D5SC00881F","","","0.71073","MoKα","","0.0738","0.0578","","","0.1256","0.1315","","","","","","1.151","","","","has coordinates,has disorder","300653","2025-07-06","14:41:17",""
"1574267","14.4877","0.0004","18.0318","0.0004","18.9385","0.0005","77.231","0.001","89.503","0.001","73.895","0.001","4628.4","0.2","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C103 H136 B Cl Ge2 O3 -","- C103 H136 B Cl Ge2 O3 -","- C206 H272 B2 Cl2 Ge4 O6 -","2","1","","Kern, Ralf H.; Hiller, Noemi; Eichele, Klaus; Schubert, Hartmut; Tönshoff, Christina; Bettinger, Holger F.; Wesemann, Lars","Boradigermaallyl: inhibition of CH bond activation by borane CO adduct formation followed by CO insertion","Chemical Science","2025","16","18","7759","7765","10.1039/D5SC00881F","","","0.71073","MoKα","","0.0463","0.0378","","","0.0977","0.1041","","","","","","1.032","","","","has coordinates,has disorder","300653","2025-07-06","14:41:25",""
"1574268","15.9892","0.0003","19.2578","0.0003","20.5718","0.0004","102.631","0.001","112.298","0.001","106.577","0.001","5221.48","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C99 H118 B Cl Ge2 O -","- C99 H118 B Cl Ge2 O -","- C198 H236 B2 Cl2 Ge4 O2 -","2","1","","Kern, Ralf H.; Hiller, Noemi; Eichele, Klaus; Schubert, Hartmut; Tönshoff, Christina; Bettinger, Holger F.; Wesemann, Lars","Boradigermaallyl: inhibition of CH bond activation by borane CO adduct formation followed by CO insertion","Chemical Science","2025","16","18","7759","7765","10.1039/D5SC00881F","","","0.71073","MoKα","","0.0632","0.0487","","","0.129","0.1407","","","","","","1.047","","","","has coordinates,has disorder","300653","2025-07-06","14:41:34",""
"1574269","6.56","0.0011","14.795","0.003","17.736","0.003","100.253","0.006","98.746","0.006","100.247","0.006","1636.6","0.5","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H15 F O2 -","- C11 H15 F O2 -","- C66 H90 F6 O12 -","6","3","","Trevisan, Lucia; Bond, Andrew D.; Hunter, Christopher A.","Relationship between interaction geometry and cooperativity measured in H-bonded networks of hydroxyl groups","Chemical Science","2025","16","17","7418","7423","10.1039/D5SC00784D","","","1.54178","CuKα","","0.2263","0.0986","","","0.1705","0.2314","","","","","","0.959","","","","has coordinates","300590","2025-07-06","14:10:54",""
"1574270","13.7547","0.0006","19.2286","0.0009","8.4326","0.0004","90","","90","","90","","2230.28","0.18","180","2","180","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C11 H15 N O4 -","- C11 H15 N O4 -","- C88 H120 N8 O32 -","8","1","","Trevisan, Lucia; Bond, Andrew D.; Hunter, Christopher A.","Relationship between interaction geometry and cooperativity measured in H-bonded networks of hydroxyl groups","Chemical Science","2025","16","17","7418","7423","10.1039/D5SC00784D","","","1.54178","CuKα","","0.056","0.0421","","","0.0999","0.1087","","","","","","1.052","","","","has coordinates","300590","2025-07-06","14:10:54",""
"1574271","9.582","0.0005","43.689","0.002","15.6237","0.0008","90","","90.164","0.003","90","","6540.5","0.6","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H31 B2 N3 O2 -","- C34 H31 B2 N3 O2 -","- C272 H248 B16 N24 O16 -","8","4","","Yu, Changjiang; Cheng, Chao; Liu, Zhangzhan; Ni, Zhigang; Zhao, Zujin; Lu, Hua; Hao, Erhong; Jiao, Lijuan","A novel boron-stereogenic fluorophore with dual-state circular polarization luminescence via a self-dispersing strategy","Chemical Science","2025","16","18","7971","7980","10.1039/D5SC01025J","","","1.54178","CuKα","","0.0817","0.0743","","","0.2013","0.2108","","","","","","1.024","","","","has coordinates,has disorder","300651","2025-07-06","14:39:32",""
"1574272","15.472","0.002","16.178","0.002","15.892","0.002","90","","109.432","0.007","90","","3751.3","0.8","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H17 B2 F18 N3 O2 -","- C36 H17 B2 F18 N3 O2 -","- C144 H68 B8 F72 N12 O8 -","4","1","","Yu, Changjiang; Cheng, Chao; Liu, Zhangzhan; Ni, Zhigang; Zhao, Zujin; Lu, Hua; Hao, Erhong; Jiao, Lijuan","A novel boron-stereogenic fluorophore with dual-state circular polarization luminescence via a self-dispersing strategy","Chemical Science","2025","16","18","7971","7980","10.1039/D5SC01025J","","","1.54178","CuKα","","0.1306","0.0736","","","0.2036","0.2288","","","","","","1.019","","","","has coordinates,has disorder","300651","2025-07-06","14:39:33",""
"1574273","10.3708","0.0006","11.0431","0.0006","11.9274","0.0006","86.785","0.004","74.699","0.004","74.116","0.004","1267.07","0.12","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 B2 Cl N3 O2 -","- C30 H22 B2 Cl N3 O2 -","- C60 H44 B4 Cl2 N6 O4 -","2","1","","Yu, Changjiang; Cheng, Chao; Liu, Zhangzhan; Ni, Zhigang; Zhao, Zujin; Lu, Hua; Hao, Erhong; Jiao, Lijuan","A novel boron-stereogenic fluorophore with dual-state circular polarization luminescence via a self-dispersing strategy","Chemical Science","2025","16","18","7971","7980","10.1039/D5SC01025J","","x-ray","1.54178","CuKα","","0.0727","0.0493","","","0.1398","0.153","","","","","","0.935","","","","has coordinates","300651","2025-07-06","14:39:33",""
"1574274","9.6663","0.0007","10.0753","0.0008","14.4164","0.0013","92.413","0.003","101.539","0.003","93.307","0.003","1371.29","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H27 B2 N3 O2 -","- C32 H27 B2 N3 O2 -","- C64 H54 B4 N6 O4 -","2","1","","Yu, Changjiang; Cheng, Chao; Liu, Zhangzhan; Ni, Zhigang; Zhao, Zujin; Lu, Hua; Hao, Erhong; Jiao, Lijuan","A novel boron-stereogenic fluorophore with dual-state circular polarization luminescence via a self-dispersing strategy","Chemical Science","2025","16","18","7971","7980","10.1039/D5SC01025J","","","0.71073","MoKα","","0.1097","0.0839","","","0.1838","0.1961","","","","","","1.128","","","","has coordinates","300651","2025-07-06","14:39:33",""
"1574275","15.483","0.005","16.607","0.005","18.455","0.005","63.503","0.019","76.5","0.02","65.205","0.019","3849","2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H40 B4 N6 O4 -","- C54 H40 B4 N6 O4 -","- C162 H120 B12 N18 O12 -","3","1.5","","Yu, Changjiang; Cheng, Chao; Liu, Zhangzhan; Ni, Zhigang; Zhao, Zujin; Lu, Hua; Hao, Erhong; Jiao, Lijuan","A novel boron-stereogenic fluorophore with dual-state circular polarization luminescence via a self-dispersing strategy","Chemical Science","2025","16","18","7971","7980","10.1039/D5SC01025J","","x-ray","1.54178","CuKα","","0.1831","0.083","","","0.2454","0.3057","","","","","","0.966","","","","has coordinates,has disorder","300651","2025-07-06","14:39:33",""
"1574276","9.9773","0.0004","10.9806","0.0005","13.4862","0.0005","74.857","0.002","79.474","0.002","63.421","0.002","1271.77","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H23 B2 N3 O2 -","- C30 H23 B2 N3 O2 -","- C60 H46 B4 N6 O4 -","2","1","","Yu, Changjiang; Cheng, Chao; Liu, Zhangzhan; Ni, Zhigang; Zhao, Zujin; Lu, Hua; Hao, Erhong; Jiao, Lijuan","A novel boron-stereogenic fluorophore with dual-state circular polarization luminescence via a self-dispersing strategy","Chemical Science","2025","16","18","7971","7980","10.1039/D5SC01025J","","x-ray","0.71073","MoKα","","0.0673","0.0518","","","0.1232","0.1338","","","","","","1.093","","","","has coordinates","300651","2025-07-06","14:39:33",""
"1574277","29.2198","0.0009","9.7169","0.0003","23.8263","0.0007","90","","104.397","0.003","90","","6552.5","0.4","300","","300","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H27 B2 N3 O2 S -","- C38 H27 B2 N3 O2 S1.002 -","- C304 H216 B16 N24 O16 S8.016 -","8","1","","Yu, Changjiang; Cheng, Chao; Liu, Zhangzhan; Ni, Zhigang; Zhao, Zujin; Lu, Hua; Hao, Erhong; Jiao, Lijuan","A novel boron-stereogenic fluorophore with dual-state circular polarization luminescence via a self-dispersing strategy","Chemical Science","2025","16","18","7971","7980","10.1039/D5SC01025J","","x-ray","1.54178","CuKα","","0.0523","0.0419","","","0.1182","0.1257","","","","","","1.046","","","","has coordinates,has disorder","300651","2025-07-06","14:39:33",""
"1574280","16.666","0.003","21.729","0.004","34.167","0.007","90","","90","","90","","12373","4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C97 H86 Cl2 N38 O46 -","- C97 H86 Cl2 N38 O46 -","- C388 H344 Cl8 N152 O184 -","4","1","","Liu, Jia; Han, Xiujie; Wen, Xin; Yu, Hao; Li, Bao; Wang, Ming; Liu, Minghua; Wu, Guanglu","Chiral ring-in-ring complexes with torsion-induced circularly polarized luminescence","Chemical Science","2025","16","18","7858","7863","10.1039/D5SC00624D","","","0.71073","MoKα","","0.0859","0.082","","","0.2512","0.2593","","","","","","1.13","","","","has coordinates,has disorder","300644","2025-07-06","14:35:40",""
"1574281","18.8392","0.0003","18.8392","0.0003","46.1573","0.0013","90","","90","","120","","14187.2","0.5","100","0.5","100","0.5","","","","","","","","7","R -3 :H","-R 3","148","[IrAu12(bbpe)6](PF6)3 DCM-MeOH/Ether Octahedron","","","- C168 H144 Au12 Cl24 F12 Ir P14 -","- C168 H144 Au12 Cl24 F12 Ir P14 -","- C504 H432 Au36 Cl72 F36 Ir3 P42 -","3","0.166667","","Mutoh, Katsuya; Yahagi, Teppei; Takano, Shinjiro; Kawakita, Sonomi; Iwasa, Takeshi; Taketsugu, Tetsuya; Tsukuda, Tatsuya; Nakashima, Takuya","A nearly perfect icosahedral Ir@Au12 superatom with superior photoluminescence obtained by ligand engineering","Chemical Science","2025","16","19","8240","8246","10.1039/D5SC00561B","","x-ray","0.71073","MoKα","","0.0387","0.0355","","","0.1024","0.1047","","","","","","1.116","","","","has coordinates,has disorder","300600","2025-07-06","14:14:13",""
"1574282","18.3688","0.0007","10.6562","0.0007","21.9752","0.0008","90","","90","","90","","4301.5","0.4","297","","297","","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C12 H8 Fe I2 O5 Pb3 -","- C12 H8 Fe I2 O5 Pb3 -","- C96 H64 Fe8 I16 O40 Pb24 -","8","0.5","","Yin, Jinlin; He, Yani; Sun, Chen; Jiang, Yilin; Fei, Honghan","Coordination-driven assembly of a ferrocene-functionalized lead iodide framework with enhanced stability and charge transfer for photocatalytic CO2-to-CH3OH conversion","Chemical Science","2025","16","19","8327","8337","10.1039/D4SC08216H","","","0.71073","MoKα","","0.1418","0.1395","","","0.3051","0.3058","","","","","","1.116","","","","has coordinates,has disorder","300596","2025-07-06","14:12:55",""
"1574283","7.1097","0.0002","31.4596","0.001","14.5274","0.0004","90","","97.891","0.001","90","","3218.55","0.16","143","2","143","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C70 H68 Br2 N6 O4 Si2 -","- C70 H68 Br2 N6 O4 Si2 -","- C140 H136 Br4 N12 O8 Si4 -","2","1","","Cao, Qiuhui; Yang, Yuntian; Mei, Yiwen; Ji, Minghui; Wang, Fei; Feng, Xiaoming; Cao, Weidi","Catalytic asymmetric construction of 1,5-remote Si- and C-stereocenters via desymmetrizing ene reaction of bis(methallyl)silanes","Chemical Science","2025","16","19","8454","8459","10.1039/D5SC01054C","","","1.54178","CuKα","","0.0436","0.0428","","","0.1164","0.117","","","","","","1.058","","","","has coordinates,has disorder","300594","2025-07-06","14:12:22",""
"1574284","14.5272","0.0005","18.2708","0.0006","16.2","0.0005","90","","111.107","0.001","90","","4011.4","0.2","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C72 H106 F12 N6 Ni O15 S4 -","- C72 H106 F12 N6 Ni O15 S4 -","- C144 H212 F24 N12 Ni2 O30 S8 -","2","1","","Cao, Qiuhui; Yang, Yuntian; Mei, Yiwen; Ji, Minghui; Wang, Fei; Feng, Xiaoming; Cao, Weidi","Catalytic asymmetric construction of 1,5-remote Si- and C-stereocenters via desymmetrizing ene reaction of bis(methallyl)silanes","Chemical Science","2025","16","19","8454","8459","10.1039/D5SC01054C","","","1.54178","CuKα","","0.0642","0.0611","","","0.1686","0.1737","","","","","","1.029","","","","has coordinates,has disorder","300594","2025-07-06","14:12:24",""
"1574286","10.9726","0.0002","22.2877","0.0004","11.9968","0.0002","90","","103.335","0.002","90","","2854.76","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cis-BDPA","","- C33 H36 B2 Cl2 N2 -","- C33 H36 B2 Cl2 N2 -","- C132 H144 B8 Cl8 N8 -","4","1","","Zuo, Jingyao; Lalancette, Roger A.; Prokopchuk, Demyan E.; Jäkle, Frieder","Regioselective access to B–N Lewis pair-functionalized anthracenes: mechanistic studies and optoelectronic properties","Chemical Science","2025","16","18","8114","8124","10.1039/D5SC00597C","","x-ray","1.54184","CuKα","","0.0665","0.0495","","","0.1179","0.131","","","","","","1.061","","","","has coordinates","300643","2025-07-06","14:35:23",""
"1574287","25.6047","0.0003","7.5629","0.0001","15.1153","0.0002","90","","103.019","0.001","90","","2851.78","0.06","102","2","102","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H36 B2 Cl2 N2 -","- C33 H36 B2 Cl2 N2 -","- C132 H144 B8 Cl8 N8 -","4","0.5","","Zuo, Jingyao; Lalancette, Roger A.; Prokopchuk, Demyan E.; Jäkle, Frieder","Regioselective access to B–N Lewis pair-functionalized anthracenes: mechanistic studies and optoelectronic properties","Chemical Science","2025","16","18","8114","8124","10.1039/D5SC00597C","","x-ray","1.54184","CuKα","","0.0399","0.0372","","","0.0963","0.0986","","","","","","1.08","","","","has coordinates","300643","2025-07-06","14:35:26",""
"1574288","8.3251","0.0001","8.8817","0.0001","14.9449","0.0002","73.42","0.001","86.607","0.001","82.977","0.001","1050.81","0.02","99.8","0.3","99.8","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C20 H15 F6 I N2 O4 -","- C20 H15 F6 I N2 O4 -","- C40 H30 F12 I2 N4 O8 -","2","1","","Otsuki, Shinya; Kanemoto, Kazuya; Martos, Daniel Carter; Kwon, Eunsang; Wencel-Delord, Joanna; Yoshikai, Naohiko","Diazomethyl-λ3-iodane meets aryne: dipolar cycloaddition and C-to-N iodane shift leading to indazolyl-λ3-iodanes","Chemical Science","2025","16","18","8053","8059","10.1039/D5SC00266D","","x-ray","0.71073","MoKα","","0.0204","0.0183","","","0.041","0.0417","","","","","","1.05","","","","has coordinates","300648","2025-07-06","14:37:21",""
"1574289","20.2478","0.001","12.0654","0.0006","24.41","0.0012","90","","106.52","0.002","90","","5717.1","0.5","130","2","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C72 H74 B2 N4 -","- C72 H74 B2 N4 -","- C288 H296 B8 N16 -","4","1","","Petrykowski, Wojciech D.; Vanthuyne, Nicolas; Naim, Carmelo; Bertocchi, Francesco; Poronik, Yevgen M.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Terenziani, Francesca; Jacquemin, Denis; Gryko, Daniel T.","Double helicene possessing B–N dative bonds built on 1,4-dihydropyrrolo[3,2-b]pyrrole core","Chemical Science","2025","16","19","8338","8345","10.1039/D5SC00540J","","","0.71073","MoKα","","0.0751","0.052","","","0.1291","0.143","","","","","","1.045","","","","has coordinates,has disorder","300598","2025-07-06","14:13:28",""
"1574290","14.8961","0.0005","23.8496","0.0008","17.9551","0.0006","90","","105.52","0.002","90","","6146.2","0.4","130","","130","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H74 B2 N4 S2 -","- C76 H74 B2 N4 S2 -","- C304 H296 B8 N16 S8 -","4","1","","Petrykowski, Wojciech D.; Vanthuyne, Nicolas; Naim, Carmelo; Bertocchi, Francesco; Poronik, Yevgen M.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Terenziani, Francesca; Jacquemin, Denis; Gryko, Daniel T.","Double helicene possessing B–N dative bonds built on 1,4-dihydropyrrolo[3,2-b]pyrrole core","Chemical Science","2025","16","19","8338","8345","10.1039/D5SC00540J","","","0.71073","MoKα","","0.0546","0.042","","","0.1026","0.1122","","","","","","1.064","","","","has coordinates,has disorder","300598","2025-07-06","14:13:37",""
"1574291","9.9735","0.0015","6.9462","0.0016","31.359","0.007","90","","97.373","0.007","90","","2154.5","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 O2 S -","- C30 H22 O2 S -","- C120 H88 O8 S4 -","4","1","","Knyazev, Daniil A.; George, Malini; Werz, Daniel B.","(3 + 2)-Cycloaddition of bicyclobutanes and thioketones: access to 2-thiabicyclo[2.1.1]hexanes without the use of catalysts or light","Chemical Science","2025","16","19","8588","8593","10.1039/D5SC00125K","","x-ray","0.71073","MoKα","","0.0455","0.037","","","0.0908","0.0972","","","","","","1.038","","","","has coordinates","300599","2025-07-06","14:13:50",""
"1574292","11.698","0.003","12.037","0.004","17.473","0.005","90","","102.844","0.019","90","","2398.8","1.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 O S -","- C32 H28 O S -","- C128 H112 O4 S4 -","4","1","","Knyazev, Daniil A.; George, Malini; Werz, Daniel B.","(3 + 2)-Cycloaddition of bicyclobutanes and thioketones: access to 2-thiabicyclo[2.1.1]hexanes without the use of catalysts or light","Chemical Science","2025","16","19","8588","8593","10.1039/D5SC00125K","","x-ray","0.71073","MoKα","","0.0518","0.0429","","","0.1124","0.1197","","","","","","1.036","","","","has coordinates","300599","2025-07-06","14:13:59",""
"1574293","9.639","0.003","9.825","0.003","11.34","0.003","89.784","0.007","66.003","0.016","85.593","0.008","977.8","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H22 O2 S -","- C25 H22 O2 S -","- C50 H44 O4 S2 -","2","1","","Knyazev, Daniil A.; George, Malini; Werz, Daniel B.","(3 + 2)-Cycloaddition of bicyclobutanes and thioketones: access to 2-thiabicyclo[2.1.1]hexanes without the use of catalysts or light","Chemical Science","2025","16","19","8588","8593","10.1039/D5SC00125K","","x-ray","0.71073","MoKα","","0.0521","0.0415","","","0.1061","0.1127","","","","","","1.051","","","","has coordinates","300599","2025-07-06","14:14:00",""
"1574294","7.683","0.005","15.401","0.008","37.98","0.02","90","","90","","90","","4494","4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 O S -","- C30 H26 O S -","- C240 H208 O8 S8 -","8","2","","Knyazev, Daniil A.; George, Malini; Werz, Daniel B.","(3 + 2)-Cycloaddition of bicyclobutanes and thioketones: access to 2-thiabicyclo[2.1.1]hexanes without the use of catalysts or light","Chemical Science","2025","16","19","8588","8593","10.1039/D5SC00125K","","x-ray","0.71073","MoKα","","0.0891","0.07","","","0.1693","0.1791","","","","","","1.057","","","","has coordinates,has disorder","300599","2025-07-06","14:14:01",""
"1574297","9.8794","0.0001","9.9685","0.0001","21.1954","0.0003","103.298","0.001","98.331","0.001","90.09","0.001","2008.66","0.04","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H63 N2 O2 P S Si -","- C41 H63 N2 O2 P S Si -","- C82 H126 N4 O4 P2 S2 Si2 -","2","1","","Krischer, Felix; Mayer, Stephan; Hensle, Lennart; Knyszek, Daniel; Darmandeh, Heidar; Gessner, Viktoria H.","Base-stabilized acyclic amino(ylidyl)silylenes: electron-rich donors for the stabilization of silicon-element multiple bonds","Chemical Science","2025","16","19","8346","8356","10.1039/D5SC01812A","","x-ray","1.54184","CuKα","","0.0403","0.0358","","","0.0916","0.0938","","","","","","1.055","","","","has coordinates","300602","2025-07-06","14:15:03",""
"1574298","9.8655","0.0001","10.6697","0.0001","17.5437","0.0001","90","","94.805","0.001","90","","1840.19","0.03","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C41 H45 N2 O2 P S Si -","- C41 H45 N2 O2 P S Si -","- C82 H90 N4 O4 P2 S2 Si2 -","2","1","","Krischer, Felix; Mayer, Stephan; Hensle, Lennart; Knyszek, Daniel; Darmandeh, Heidar; Gessner, Viktoria H.","Base-stabilized acyclic amino(ylidyl)silylenes: electron-rich donors for the stabilization of silicon-element multiple bonds","Chemical Science","2025","16","19","8346","8356","10.1039/D5SC01812A","","x-ray","1.54184","CuKα","","0.028","0.0276","","","0.0731","0.0734","","","","","","1.015","","","","has coordinates","300602","2025-07-06","14:15:14",""
"1574299","14.8143","0.0001","14.4078","0.0001","17.4032","0.0002","90","","114.35","0.001","90","","3384.13","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 N3 P S2 Si -","- C36 H38 N3 P S2 Si -","- C144 H152 N12 P4 S8 Si4 -","4","1","","Krischer, Felix; Mayer, Stephan; Hensle, Lennart; Knyszek, Daniel; Darmandeh, Heidar; Gessner, Viktoria H.","Base-stabilized acyclic amino(ylidyl)silylenes: electron-rich donors for the stabilization of silicon-element multiple bonds","Chemical Science","2025","16","19","8346","8356","10.1039/D5SC01812A","","x-ray","1.54184","CuKα","","0.0352","0.0326","","","0.0893","0.0913","","","","","","1.051","","","","has coordinates","300602","2025-07-06","14:15:15",""
"1574300","13.6372","0.0001","14.835","0.0001","20.8762","0.0002","90","","100.641","0.001","90","","4150.79","0.06","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H63 N2 O2 P S3 Si -","- C42 H63 N2 O2 P S3 Si -","- C168 H252 N8 O8 P4 S12 Si4 -","4","1","","Krischer, Felix; Mayer, Stephan; Hensle, Lennart; Knyszek, Daniel; Darmandeh, Heidar; Gessner, Viktoria H.","Base-stabilized acyclic amino(ylidyl)silylenes: electron-rich donors for the stabilization of silicon-element multiple bonds","Chemical Science","2025","16","19","8346","8356","10.1039/D5SC01812A","","x-ray","1.54184","CuKα","","0.0427","0.0387","","","0.1054","0.1085","","","","","","1.051","","","","has coordinates","300602","2025-07-06","14:15:17",""
"1574301","64.6062","0.0004","10.3354","0.0001","19.7968","0.0001","90","","94.664","0.001","90","","13175.2","0.17","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C73 H79 N6 P2 Si2 -","- C73 H79 N6 P2 Si2 -","- C584 H632 N48 P16 Si16 -","8","1","","Krischer, Felix; Mayer, Stephan; Hensle, Lennart; Knyszek, Daniel; Darmandeh, Heidar; Gessner, Viktoria H.","Base-stabilized acyclic amino(ylidyl)silylenes: electron-rich donors for the stabilization of silicon-element multiple bonds","Chemical Science","2025","16","19","8346","8356","10.1039/D5SC01812A","","x-ray","1.54184","CuKα","","0.064","0.0618","","","0.183","0.1845","","","","","","1.184","","","","has coordinates","300602","2025-07-06","14:15:18",""
"1574302","11.7868","0.0001","18.1246","0.0001","14.9114","0.0001","90","","98.034","0.001","90","","3154.27","0.04","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H38 N3 O3 P Si -","- C36 H38 N3 O3 P Si -","- C144 H152 N12 O12 P4 Si4 -","4","1","","Krischer, Felix; Mayer, Stephan; Hensle, Lennart; Knyszek, Daniel; Darmandeh, Heidar; Gessner, Viktoria H.","Base-stabilized acyclic amino(ylidyl)silylenes: electron-rich donors for the stabilization of silicon-element multiple bonds","Chemical Science","2025","16","19","8346","8356","10.1039/D5SC01812A","","x-ray","1.54184","CuKα","","0.0378","0.0341","","","0.0895","0.0921","","","","","","1.055","","","","has coordinates","300602","2025-07-06","14:15:26",""
"1574303","10.2796","0.0002","12.9114","0.0002","18.3044","0.0002","74.267","0.001","77.107","0.001","69.783","0.002","2171.7","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H69 N2 O3 P S Si -","- C47 H69 N2 O3 P S Si -","- C94 H138 N4 O6 P2 S2 Si2 -","2","1","","Krischer, Felix; Mayer, Stephan; Hensle, Lennart; Knyszek, Daniel; Darmandeh, Heidar; Gessner, Viktoria H.","Base-stabilized acyclic amino(ylidyl)silylenes: electron-rich donors for the stabilization of silicon-element multiple bonds","Chemical Science","2025","16","19","8346","8356","10.1039/D5SC01812A","","x-ray","1.54184","CuKα","","0.0334","0.0322","","","0.0821","0.0839","","","","","","1.051","","","","has coordinates","300602","2025-07-06","14:15:27",""
"1574304","20.4704","0.0002","8.8183","0.0001","23.8065","0.0002","90","","105.305","0.001","90","","4145","0.07","109","2","109","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H48 N5 P Si -","- C48 H48 N5 P Si -","- C192 H192 N20 P4 Si4 -","4","1","","Krischer, Felix; Mayer, Stephan; Hensle, Lennart; Knyszek, Daniel; Darmandeh, Heidar; Gessner, Viktoria H.","Base-stabilized acyclic amino(ylidyl)silylenes: electron-rich donors for the stabilization of silicon-element multiple bonds","Chemical Science","2025","16","19","8346","8356","10.1039/D5SC01812A","","x-ray","1.54184","CuKα","","0.0388","0.0349","","","0.0879","0.0904","","","","","","1.022","","","","has coordinates","300602","2025-07-06","14:15:30",""
"1574305","19.8252","0.0001","16.0822","0.0001","26.2606","0.0002","90","","96.777","0.001","90","","8314.24","0.09","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C94 H100 N6 O2 P2 Si2 -","- C94 H100 N6 O2 P2 Si2 -","- C376 H400 N24 O8 P8 Si8 -","4","0.5","","Krischer, Felix; Mayer, Stephan; Hensle, Lennart; Knyszek, Daniel; Darmandeh, Heidar; Gessner, Viktoria H.","Base-stabilized acyclic amino(ylidyl)silylenes: electron-rich donors for the stabilization of silicon-element multiple bonds","Chemical Science","2025","16","19","8346","8356","10.1039/D5SC01812A","","x-ray","1.54184","CuKα","","0.0423","0.0405","","","0.1098","0.1114","","","","","","1.038","","","","has coordinates,has disorder","300602","2025-07-06","14:15:31",""
"1574306","9.9591","0.0001","12.806","0.0001","22.0685","0.0003","76.279","0.001","89.357","0.001","87.916","0.001","2732.39","0.05","105","2","105","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H81 N4 O2 P S Si -","- C61 H81 N4 O2 P S Si -","- C122 H162 N8 O4 P2 S2 Si2 -","2","1","","Krischer, Felix; Mayer, Stephan; Hensle, Lennart; Knyszek, Daniel; Darmandeh, Heidar; Gessner, Viktoria H.","Base-stabilized acyclic amino(ylidyl)silylenes: electron-rich donors for the stabilization of silicon-element multiple bonds","Chemical Science","2025","16","19","8346","8356","10.1039/D5SC01812A","","x-ray","1.54184","CuKα","","0.0412","0.0345","","","0.0874","0.0913","","","","","","1.027","","","","has coordinates,has disorder","300602","2025-07-06","14:15:39",""
"1574307","11.4285","0.0001","27.5512","0.0001","14.3976","0.0001","90","","100.775","0.001","90","","4453.43","0.05","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H72 N3 O2 P S Si -","- C46 H72 N3 O2 P S Si -","- C184 H288 N12 O8 P4 S4 Si4 -","4","1","","Krischer, Felix; Mayer, Stephan; Hensle, Lennart; Knyszek, Daniel; Darmandeh, Heidar; Gessner, Viktoria H.","Base-stabilized acyclic amino(ylidyl)silylenes: electron-rich donors for the stabilization of silicon-element multiple bonds","Chemical Science","2025","16","19","8346","8356","10.1039/D5SC01812A","","x-ray","1.54184","CuKα","","0.0353","0.033","","","0.0866","0.0881","","","","","","1.038","","","","has coordinates","300602","2025-07-06","14:15:41",""
"1574308","5.7109","0.0002","14.3218","0.0005","17.0215","0.0006","90","","90","","90","","1392.19","0.08","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 N2 O2 -","- C14 H24 N2 O2 -","- C56 H96 N8 O8 -","4","1","","Hanna, Fergal E.; Bond, Andrew D.; Hunter, Christopher A.","Quantification of the effects of n-π* interactions on the H-bonding properties of amide groups","Chemical Science","2025","16","18","7894","7901","10.1039/D4SC08331H","","","1.54178","CuKα","","0.0359","0.0342","","","0.0827","0.0843","","","","","","1.08","","","","has coordinates","300641","2025-07-06","14:34:48",""
"1574309","6.0753","0.0002","19.1206","0.0008","8.3541","0.0003","90","","109.392","0.002","90","","915.39","0.06","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H17 N O -","- C9 H17 N O -","- C36 H68 N4 O4 -","4","1","","Hanna, Fergal E.; Bond, Andrew D.; Hunter, Christopher A.","Quantification of the effects of n-π* interactions on the H-bonding properties of amide groups","Chemical Science","2025","16","18","7894","7901","10.1039/D4SC08331H","","","1.54178","CuKα","","0.0505","0.0419","","","0.1088","0.1152","","","","","","1.067","","","","has coordinates","300641","2025-07-06","14:34:50",""
"1574310","5.9843","0.0002","9.7264","0.0004","12.6732","0.0005","73.16","0.002","78.918","0.002","86.645","0.002","692.85","0.05","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H24 N2 O2 -","- C14 H24 N2 O2 -","- C28 H48 N4 O4 -","2","1","","Hanna, Fergal E.; Bond, Andrew D.; Hunter, Christopher A.","Quantification of the effects of n-π* interactions on the H-bonding properties of amide groups","Chemical Science","2025","16","18","7894","7901","10.1039/D4SC08331H","","","1.54178","CuKα","","0.0492","0.0445","","","0.1212","0.126","","","","","","1.075","","","","has coordinates,has disorder","300641","2025-07-06","14:34:51",""
"1574311","11.789","0.011","5.5068","0.0003","10.461","0.005","90","","116.23","0.09","90","","609.2","0.8","298","2","298","2","20570000","","20570000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.1457","0.1256","","","0.3305","0.364","","","","","","1.53","","","","has coordinates","300674","2025-07-06","14:48:25",""
"1574312","11.75","0.009","5.503","0.0002","10.447","0.004","90","","116.33","0.07","90","","605.4","0.6","298","2","298","2","21240000","","21240000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0824","0.0757","","","0.2277","0.236","","","","","","1.122","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574313","11.47","0.02","5.4795","0.0005","10.352","0.008","90","","116.77","0.17","90","","580.9","1.4","298","2","298","2","25890000","","25890000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0837","0.0754","","","0.2348","0.2448","","","","","","1.17","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574314","11.626","0.01","5.4869","0.0002","10.397","0.004","90","","116.56","0.08","90","","593.2","0.7","298","2","298","2","23570000","","23570000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0767","0.0693","","","0.2057","0.214","","","","","","1.092","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574315","11.719","0.009","5.5018","0.0002","10.44","0.004","90","","116.41","0.07","90","","602.9","0.6","298","2","298","2","21810000","","21810000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0852","0.0769","","","0.2354","0.247","","","","","","1.162","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574316","11.44","0.03","5.4806","0.0006","10.344","0.011","90","","116.8","0.2","90","","578.9","1.9","298","2","298","2","26190000","","26190000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.1014","0.0871","","","0.2703","0.285","","","","","","1.165","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574317","11.66","0.01","5.489","0.0002","10.407","0.004","90","","116.47","0.08","90","","596.2","0.7","298","2","298","2","23070000","","23070000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0764","0.0687","","","0.2058","0.2143","","","","","","1.117","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574318","11.513","0.011","5.4804","0.0003","10.357","0.004","90","","116.78","0.09","90","","583.4","0.8","298","2","298","2","25500000","","25500000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0996","0.0923","","","0.2859","0.3003","","","","","","1.335","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574319","11.55","0.011","5.483","0.0003","10.377","0.004","90","","116.73","0.08","90","","586.9","0.7","298","2","298","2","24720000","","24720000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0935","0.0866","","","0.2686","0.2812","","","","","","1.251","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574320","11.671","0.01","5.4939","0.0002","10.418","0.004","90","","116.47","0.08","90","","598","0.7","298","2","298","2","22660000","","22660000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0732","0.0658","","","0.2016","0.2116","","","","","","1.117","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574321","11.592","0.009","5.4837","0.0002","10.385","0.004","90","","116.64","0.07","90","","590.1","0.6","298","2","298","2","24110000","","24110000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0762","0.0675","","","0.2059","0.2147","","","","","","1.113","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574322","11.694","0.01","5.4975","0.0002","10.427","0.004","90","","116.44","0.08","90","","600.2","0.7","298","2","298","2","22310000","","22310000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0791","0.0693","","","0.2042","0.2151","","","","","","1.113","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574323","15.223","0.014","5.7851","0.0005","12.174","0.004","90","","112.45","0.07","90","","990.9","1.1","298","2","298","2","100","","100","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0935","0.0609","","","0.1434","0.1625","","","","","","1.045","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574324","12.452","0.008","5.4749","0.0006","10.723","0.004","90","","114.9","0.07","90","","663.1","0.6","298","2","298","2","13040000","","13040000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0987","0.0684","","","0.1727","0.1857","","","","","","0.954","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574325","14.984","0.0004","5.6983","0.0001","12.0341","0.0003","90","","112.452","0.003","90","","949.63","0.04","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","1.54184","CuKα","","0.0363","0.0335","","","0.0838","0.0856","","","","","","1.06","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574326","12.38","0.02","5.4468","0.0007","10.725","0.006","90","","114.53","0.13","90","","657.9","1.3","298","2","298","2","13570000","","13570000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.1049","0.0819","","","0.2257","0.2412","","","","","","1.096","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574327","13.08","0.02","5.1502","0.0008","10.814","0.007","90","","113.12","0.14","90","","670","1.3","298","2","298","2","12680000","","12680000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.1132","0.0902","","","0.2457","0.2604","","","","","","1.344","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574328","14.89","0.01","5.6496","0.0003","11.905","0.003","90","","112.44","0.05","90","","925.6","0.7","298","2","298","2","541000","","541000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0746","0.0579","","","0.1579","0.17","","","","","","1.058","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574329","12.096","0.015","5.5053","0.0004","10.57","0.005","90","","115.42","0.11","90","","635.7","1","298","2","298","2","16270000","","16270000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0778","0.0687","","","0.2026","0.2122","","","","","","1.123","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574330","12.064","0.014","5.5054","0.0004","10.545","0.005","90","","115.46","0.1","90","","632.4","1","298","2","298","2","16750000","","16750000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0723","0.0642","","","0.1906","0.1988","","","","","","1.14","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574331","12.013","0.014","5.5124","0.0004","10.539","0.005","90","","115.68","0.1","90","","629","1","298","2","298","2","17250000","","17250000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0679","0.0603","","","0.1745","0.1817","","","","","","1.105","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574332","12.24","0.02","5.4747","0.0006","10.639","0.007","90","","114.84","0.14","90","","647","1.4","298","2","298","2","14668000","","14668000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.1057","0.0907","","","0.2564","0.2777","","","","","","1.116","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574333","13.162","0.011","5.1734","0.0003","10.885","0.003","90","","113.15","0.07","90","","681.5","0.7","298","2","298","2","11540000","","11540000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0888","0.0731","","","0.2059","0.2192","","","","","","1.103","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574334","14.71","0.01","5.5772","0.0003","11.759","0.003","90","","112.39","0.05","90","","892","0.7","298","2","298","2","1015000","","1015000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0718","0.0554","","","0.158","0.1688","","","","","","1.077","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574335","12.162","0.016","5.4949","0.0004","10.602","0.006","90","","115.15","0.11","90","","641.4","1.1","298","2","298","2","15550000","","15550000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0925","0.0817","","","0.2356","0.2476","","","","","","1.138","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574336","15.088","0.013","5.7289","0.0004","12.059","0.004","90","","112.42","0.07","90","","963.6","1","298","2","298","2","193000","","193000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0862","0.062","","","0.1587","0.1783","","","","","","1.051","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574337","13.22","0.008","5.175","0.0002","10.904","0.003","90","","113.08","0.05","90","","686.3","0.5","298","2","298","2","11020000","","11020000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0816","0.0706","","","0.1966","0.2064","","","","","","1.07","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574338","13.261","0.008","5.1782","0.0002","10.915","0.002","90","","113.01","0.05","90","","689.9","0.5","298","2","298","2","10580000","","10580000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0763","0.0684","","","0.1874","0.1941","","","","","","1.068","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574339","13.08","0.03","5.1368","0.0012","10.777","0.009","90","","112.98","0.19","90","","666.6","1.9","298","2","298","2","13040000","","13040000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.1379","0.1062","","","0.2887","0.3108","","","","","","1.18","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574340","14.998","0.011","5.694","0.0003","11.992","0.003","90","","112.43","0.06","90","","946.6","0.8","298","2","298","2","306000","","306000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0795","0.0591","","","0.1652","0.1784","","","","","","1.078","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574341","13.111","0.017","5.1676","0.0004","10.86","0.005","90","","113.15","0.1","90","","676.5","1.1","298","2","298","2","11950000","","11950000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0966","0.0765","","","0.2242","0.2379","","","","","","1.142","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574342","14.455","0.009","5.4916","0.0002","11.591","0.003","90","","112.41","0.05","90","","850.6","0.7","298","2","298","2","1909000","","1909000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0644","0.0559","","","0.1582","0.166","","","","","","1.059","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574343","13.319","0.009","5.18","0.0002","10.928","0.003","90","","112.91","0.05","90","","694.5","0.6","298","2","298","2","10070000","","10070000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0721","0.0644","","","0.1757","0.1822","","","","","","1.066","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574344","12.32","0.02","5.4498","0.0007","10.697","0.008","90","","114.6","0.15","90","","653","1.4","298","2","298","2","14120000","","14120000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0994","0.081","","","0.2295","0.2453","","","","","","1.025","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574345","12.23","0.015","5.4789","0.0004","10.62","0.006","90","","114.88","0.11","90","","645.6","1","298","2","298","2","14930000","","14930000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0946","0.0847","","","0.2452","0.2566","","","","","","1.116","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574346","11.918","0.013","5.5121","0.0003","10.502","0.005","90","","115.9","0.09","90","","620.6","0.9","298","2","298","2","18510000","","18510000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0666","0.0606","","","0.1731","0.1788","","","","","","1.119","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574347","11.882","0.011","5.5101","0.0003","10.49","0.004","90","","116.01","0.09","90","","617.2","0.8","298","2","298","2","18970000","","18970000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0686","0.0628","","","0.1789","0.1848","","","","","","1.097","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574348","11.945","0.014","5.518","0.0004","10.526","0.005","90","","115.9","0.11","90","","624.1","1","298","2","298","2","17980000","","17980000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0711","0.0628","","","0.1857","0.1949","","","","","","1.132","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574349","11.814","0.01","5.5065","0.0002","10.466","0.004","90","","116.17","0.08","90","","611.1","0.7","298","2","298","2","20150000","","20150000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0728","0.0662","","","0.1912","0.1983","","","","","","1.103","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574350","11.979","0.013","5.5148","0.0004","10.53","0.005","90","","115.74","0.1","90","","626.6","0.9","298","2","298","2","17620000","","17620000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0719","0.0624","","","0.1788","0.1867","","","","","","1.102","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574351","14.547","0.013","5.5258","0.0003","11.659","0.004","90","","112.4","0.07","90","","866.5","0.9","298","2","298","2","1513000","","1513000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0687","0.0586","","","0.1621","0.1708","","","","","","1.071","","","","has coordinates,has disorder","300674","2025-07-06","14:48:26",""
"1574352","11.834","0.01","5.51","0.0003","10.478","0.004","90","","116.14","0.07","90","","613.3","0.7","298","2","298","2","19630000","","19630000","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-azobenzene","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Agati, Milo; Romi, Sebastiano; Fanetti, Samuele; Radacki, Krzysztof; Hanfland, Michael; Braunschweig, Holger; Marder, Todd B.; Clark, Stewart J.; Friedrich, Alexandra; Bini, Roberto","Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction","Chemical Science","2025","16","21","9240","9254","10.1039/D5SC00432B","","x-ray","0.41","synchrotron","","0.0783","0.0722","","","0.2069","0.213","","","","","","1.115","","","","has coordinates","300674","2025-07-06","14:48:26",""
"1574358","15.0711","0.0003","15.7076","0.0002","17.5064","0.0004","109.325","0.002","108.365","0.002","101.944","0.001","3480.31","0.15","123","0.1","123","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C56 H102 As8 K N2 O9 Ta2 -","- C48 H86 As8 K N2 O7 Ta2 -","- C96 H172 As16 K2 N4 O14 Ta4 -","2","1","","Riesinger, Christoph; Scheer, Manfred","Redox mediated dimerisation of a cyclo-As8 complex","Chemical Science","2025","16","20","8807","8811","10.1039/D5SC01685A","","x-ray","1.54184","CuKα","","0.0569","0.0517","","","0.1494","0.1536","","","","","","1.127","","","","has coordinates","300629","2025-07-06","14:28:52",""
"1574359","24.4761","0.0003","36.8173","0.0005","28.1239","0.0003","90","","100.641","0.001","90","","24907.9","0.5","123","0.1","123","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C88.5 H90 Al As12.5 F49.5 O3 Sb0.5 Ta3 -","- C76.5 H64 Al As12.5 F49.5 O3 Sb0.5 Ta3 -","- C612 H512 Al8 As100 F396 O24 Sb4 Ta24 -","8","1","","Riesinger, Christoph; Scheer, Manfred","Redox mediated dimerisation of a cyclo-As8 complex","Chemical Science","2025","16","20","8807","8811","10.1039/D5SC01685A","","x-ray","1.54184","CuKα","","0.0603","0.0558","","","0.1491","0.154","","","","","","1.04","","","","has coordinates,has disorder","300629","2025-07-06","14:28:53",""
"1574360","11.4386","0.0002","18.7072","0.0004","19.1356","0.0005","63.108","0.002","88.564","0.002","76.688","0.002","3539.01","0.15","123","0.1","123","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C50.5 H52 Al As7.09 F38 O4 Ta2 -","- C42 H42 Al As7.0878 F36 O4 Ta2 -","- C84 H84 Al2 As14.1756 F72 O8 Ta4 -","2","1","","Riesinger, Christoph; Scheer, Manfred","Redox mediated dimerisation of a cyclo-As8 complex","Chemical Science","2025","16","20","8807","8811","10.1039/D5SC01685A","","x-ray","0.71073","MoKα","","0.1135","0.0651","","","0.1529","0.1735","","","","","","1.015","","","","has coordinates,has disorder","300629","2025-07-06","14:28:53",""
"1574361","14.7673","0.0005","16.6167","0.0007","20.5716","0.0008","71.702","0.003","89.043","0.003","88.782","0.003","4791.3","0.3","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C118 H104 N6 O14 -","- C118 H104 N6 O14 -","- C236 H208 N12 O28 -","2","1","","D'Addio, Adriano; Kroonen, Camiel C. E.; Fuhr, Olaf; Fenske, Dieter; Häussinger, Daniel; Mayor, Marcel","Series of Geländer oligomers with orthogonal rungs","Chemical Science","2025","16","18","8092","8098","10.1039/D4SC08179J","","x-ray","1.34143","GaKα","","0.1119","0.0811","","","0.2404","0.2587","","","","","","1.071","","","","has coordinates,has disorder","300642","2025-07-06","14:35:09",""
"1574362","7.7868","0.0001","10.9259","0.0002","21.3967","0.0004","90","","90","","90","","1820.38","0.05","220","","220","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 O2 -","- C22 H24 O2 -","- C88 H96 O8 -","4","1","","Ke, Miaolin; Zheng, Jinying; Zong, Jiayi; Tang, Keshuang; Wang, Jiahao; Zheng, Guohui; Zhang, Boxuan; Cheng, Dang; Ju, Zhiran; Chen, Fener","Enantioselective [5 + 1] cycloaddition of sulfur ylides and vinylethylene carbonates via synergistic palladium/chiral phosphonic acid catalysis","Chemical Science","2025","16","18","8108","8113","10.1039/D5SC01050K","","x-ray","1.54178","CuKα","","0.096","0.0739","","","0.1845","0.2207","","","","","","1.086","","","","has coordinates","300646","2025-07-06","14:36:31",""
"1574363","8.7571","0.0001","19.7605","0.0002","11.2657","0.0001","90","","105.491","0.001","90","","1878.65","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 O6 -","- C21 H24 O6 -","- C84 H96 O24 -","4","1","","Ding, Yiming; Long, Xianwen; Zhang, Jingwei; Qu, Chunlei; Wang, Peng; Yang, Xiaodong; Puno, Pema-Tenzin; Deng, Jun","Asymmetric total synthesis of penicilfuranone A through an NHC-catalyzed umpolung strategy","Chemical Science","2025","16","19","8302","8308","10.1039/D5SC01508A","","x-ray","1.54184","CuKα","","0.0446","0.0442","","","0.1075","0.1078","","","","","","1.06","","","","has coordinates","300593","2025-07-06","14:12:05",""
"1574364","8.707","0.0001","19.1093","0.0002","11.7941","0.0001","90","","92.103","0.001","90","","1961.04","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 O6 -","- C21 H24 O6 -","- C84 H96 O24 -","4","1","","Ding, Yiming; Long, Xianwen; Zhang, Jingwei; Qu, Chunlei; Wang, Peng; Yang, Xiaodong; Puno, Pema-Tenzin; Deng, Jun","Asymmetric total synthesis of penicilfuranone A through an NHC-catalyzed umpolung strategy","Chemical Science","2025","16","19","8302","8308","10.1039/D5SC01508A","","x-ray","1.54184","CuKα","","0.0374","0.0359","","","0.0934","0.0947","","","","","","1.064","","","","has coordinates","300593","2025-07-06","14:12:05",""
"1574365","8.9343","0.0002","19.9249","0.0005","11.1682","0.0004","90","","106.262","0.003","90","","1908.57","0.1","104","7","104","7","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 O6 -","- C21 H24 O6 -","- C84 H96 O24 -","4","1","","Ding, Yiming; Long, Xianwen; Zhang, Jingwei; Qu, Chunlei; Wang, Peng; Yang, Xiaodong; Puno, Pema-Tenzin; Deng, Jun","Asymmetric total synthesis of penicilfuranone A through an NHC-catalyzed umpolung strategy","Chemical Science","2025","16","19","8302","8308","10.1039/D5SC01508A","","x-ray","0.71073","MoKα","","0.0728","0.0501","","","0.1454","0.1602","","","","","","1.014","","","","has coordinates","300593","2025-07-06","14:12:05",""
"1574366","12.6866","0.0006","15.4013","0.0007","22.1817","0.001","90","","90","","90","","4334.1","0.3","99.9","0.4","99.9","0.4","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C17 H17 Au2 Fe N7 O -","- C17 H17 Au2 Fe N7 O -","- C136 H136 Au16 Fe8 N56 O8 -","8","0.5","","Wu, Si-Guo; Cui, Wen; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Switchable colossal anisotropic thermal expansion in a spin crossover framework","Chemical Science","2025","16","20","8845","8852","10.1039/D4SC08032G","","x-ray","0.71073","MoKα","","0.0534","0.0367","","","0.0696","0.0738","","","","","","1.093","","","","has coordinates,has disorder","300630","2025-07-06","14:29:51",""
"1574367","12.1277","0.0002","16.8526","0.0002","22.9813","0.0003","90","","90","","90","","4696.99","0.11","300","2","300","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C18 H19 Au2 Fe N7 O -","- C18 H19 Au2 Fe N7 O -","- C144 H152 Au16 Fe8 N56 O8 -","8","0.5","","Wu, Si-Guo; Cui, Wen; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Switchable colossal anisotropic thermal expansion in a spin crossover framework","Chemical Science","2025","16","20","8845","8852","10.1039/D4SC08032G","","","1.54178","CuKα","","0.0369","0.0357","","","0.0928","0.0936","","","","","","1.178","","","","has coordinates,has disorder","300630","2025-07-06","14:29:51",""
"1574368","12.7477","0.0006","15.3811","0.0009","22.2404","0.001","90","","90","","90","","4360.8","0.4","225","0.1","225","0.1","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C17 H17 Au2 Fe N7 O -","- C17 H17 Au2 Fe N7 O -","- C136 H136 Au16 Fe8 N56 O8 -","8","0.5","","Wu, Si-Guo; Cui, Wen; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Switchable colossal anisotropic thermal expansion in a spin crossover framework","Chemical Science","2025","16","20","8845","8852","10.1039/D4SC08032G","","x-ray","1.54184","CuKα","","0.0734","0.0608","","","0.1644","0.174","","","","","","1.13","","","","has coordinates,has disorder","300630","2025-07-06","14:29:51",""
"1574369","11.5562","0.0004","17.2475","0.0007","22.9494","0.0006","90","","90","","90","","4574.2","0.3","224.98","0.1","224.98","0.1","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C17 H17 Au2 Fe N7 O -","- C17 H17 Au2 Fe N7 O -","- C136 H136 Au16 Fe8 N56 O8 -","8","0.5","","Wu, Si-Guo; Cui, Wen; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Switchable colossal anisotropic thermal expansion in a spin crossover framework","Chemical Science","2025","16","20","8845","8852","10.1039/D4SC08032G","","x-ray","1.54184","CuKα","","0.0364","0.0344","","","0.0965","0.0979","","","","","","1.127","","","","has coordinates,has disorder","300630","2025-07-06","14:29:51",""
"1574370","11.96862","0.0002","16.947","0.0003","22.7781","0.0003","90","","90","","90","","4620.13","0.13","299.99","0.1","299.99","0.1","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C17 H17 Au2 N7 O Zn -","- C17 H17 Au2 N7 O Zn -","- C136 H136 Au16 N56 O8 Zn8 -","8","0.5","","Wu, Si-Guo; Cui, Wen; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Switchable colossal anisotropic thermal expansion in a spin crossover framework","Chemical Science","2025","16","20","8845","8852","10.1039/D4SC08032G","","x-ray","1.54184","CuKα","","0.0497","0.0448","","","0.1174","0.1199","","","","","","1.184","","","","has coordinates,has disorder","300630","2025-07-06","14:29:51",""
"1574371","11.8527","0.0007","17.0385","0.0011","22.9573","0.0016","90","","90","","90","","4636.3","0.5","298","","298","","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C17 H17 Au2 Fe N7 O -","- C17 H17 Au2 Fe N7 O -","- C136 H136 Au16 Fe8 N56 O8 -","8","0.5","","Wu, Si-Guo; Cui, Wen; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Switchable colossal anisotropic thermal expansion in a spin crossover framework","Chemical Science","2025","16","20","8845","8852","10.1039/D4SC08032G","","","0.71073","MoKα","","0.0464","0.0299","","","0.0529","0.0566","","","","","","1.198","","","","has coordinates,has disorder","300630","2025-07-06","14:29:51",""
"1574372","12.465","0.007","15.754","0.007","22.263","0.019","90","","90","","90","","4372","5","120.01","","120.01","","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C18 H19 Au2 Fe N7 O -","- C18 H19 Au2 Fe N7 O -","- C144 H152 Au16 Fe8 N56 O8 -","8","0.5","","Wu, Si-Guo; Cui, Wen; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Switchable colossal anisotropic thermal expansion in a spin crossover framework","Chemical Science","2025","16","20","8845","8852","10.1039/D4SC08032G","","","0.71073","MoKα","","0.0601","0.048","","","0.1054","0.114","","","","","","1.079","","","","has coordinates,has disorder","300630","2025-07-06","14:29:51",""
"1574373","11.2926","0.0009","17.4255","0.0014","22.7813","0.0019","90","","90","","90","","4482.9","0.6","103","","103","","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C17 H17 Au2 N7 O Zn -","- C17 H17 Au2 N7 O Zn -","- C136 H136 Au16 N56 O8 Zn8 -","8","0.5","","Wu, Si-Guo; Cui, Wen; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Switchable colossal anisotropic thermal expansion in a spin crossover framework","Chemical Science","2025","16","20","8845","8852","10.1039/D4SC08032G","","","0.71073","MoKα","","0.0426","0.0304","","","0.0704","0.0756","","","","","","1.056","","","","has coordinates,has disorder","300630","2025-07-06","14:29:51",""
"1574374","4.9904","0.0001","10.6896","0.0002","16.6446","0.0003","90","","94.504","0.002","90","","885.17","0.03","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H20 N2 O4 S -","- C17 H20 N2 O4 S -","- C34 H40 N4 O8 S2 -","2","1","","Guo, Cui-Mei; Zhang, Fang-Yuan; Tian, Yin; Xie, Ming-Sheng; Guo, Hai-Ming","Pyridine-N-oxide catalyzed asymmetric N-acylative desymmetrization of sulfonimidamides","Chemical Science","2025","16","20","8812","8819","10.1039/D5SC01270H","","x-ray","1.54184","CuKα","","0.0568","0.0455","","","0.1191","0.122","","","","","","1.042","","","","has coordinates","300626","2025-07-06","14:27:41",""
"1574376","13.1473","0.0013","6.2052","0.0005","18.1878","0.0017","90","","106.936","0.01","90","","1419.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 F N3 -","- C17 H14 F N3 -","- C68 H56 F4 N12 -","4","1","","Gao, Chi; Liu, Yang; Li, Cheng-Sheng; Guo, He; Wang, Sheng-Han; Xu, Cong; Wang, Mang","O-Trifluoromethylation of ketones: an alternative straightforward route to alkenyl trifluoromethyl ethers","Chemical Science","2025","16","19","8561","8568","10.1039/D5SC01073J","","x-ray","0.71073","MoKα","","0.1131","0.0601","","","0.1354","0.1725","","","","","","1.025","","","","has coordinates","300595","2025-07-06","14:12:45",""
"1574377","11.7028","0.0006","5.5202","0.0002","33.5271","0.0014","90","","94.414","0.002","90","","2159.49","0.16","300","2","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 F3 O -","- C28 H21 F3 O -","- C112 H84 F12 O4 -","4","1","","Gao, Chi; Liu, Yang; Li, Cheng-Sheng; Guo, He; Wang, Sheng-Han; Xu, Cong; Wang, Mang","O-Trifluoromethylation of ketones: an alternative straightforward route to alkenyl trifluoromethyl ethers","Chemical Science","2025","16","19","8561","8568","10.1039/D5SC01073J","","","0.71073","MoKα","","0.066","0.0484","","","0.1331","0.1538","","","","","","1.036","","","","has coordinates,has disorder","300595","2025-07-06","14:12:46",""
"1574378","7.4537","0.0004","14.2418","0.0007","15.4069","0.0006","90","","91.025","0.002","90","","1635.24","0.13","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 Cl3 N4 Zn -","- C12 H17 Cl3 N4 Zn -","- C48 H68 Cl12 N16 Zn4 -","4","1","","Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin","Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence","Chemical Science","2025","16","19","8291","8301","10.1039/D5SC00931F","","","0.71073","MoKα","","0.0484","0.0384","","","0.0889","0.0949","","","","","","1.123","","","","has coordinates","300592","2025-07-06","14:11:40",""
"1574379","9.909","0.002","63.672","0.016","6.3765","0.0015","90","","127.717","0.007","90","","3182.4","1.3","150","2","150.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H9.01 Cl3 N2 Zn1.01 -","- C6 H9.014 Cl3 N2.00433 Zn1.00633 -","- C72 H108.168 Cl36 N24.052 Zn12.076 -","12","3","","Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin","Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence","Chemical Science","2025","16","19","8291","8301","10.1039/D5SC00931F","","","0.71073","MoKα","","0.1208","0.0546","","","0.1048","0.1348","","","","","","1.019","","","","has coordinates,has disorder","300592","2025-07-06","14:11:42",""
"1574380","7.7054","0.0002","12.3265","0.0003","12.5814","0.0003","90","","92.11","0.001","90","","1194.18","0.05","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H11 Br3 N2 Zn -","- C7 H11 Br3 N2 Zn -","- C28 H44 Br12 N8 Zn4 -","4","1","","Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin","Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence","Chemical Science","2025","16","19","8291","8301","10.1039/D5SC00931F","","","0.71073","MoKα","","0.0369","0.0243","","","0.0497","0.0535","","","","","","1.067","","","","has coordinates","300592","2025-07-06","14:11:51",""
"1574381","9.5132","0.0005","14.134","0.0006","10.4282","0.0004","90","","104.052","0.001","90","","1360.21","0.11","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H12 Br4 N2 Zn -","- C7 H12 Br4 N2 Zn -","- C28 H48 Br16 N8 Zn4 -","4","1","","Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin","Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence","Chemical Science","2025","16","19","8291","8301","10.1039/D5SC00931F","","","0.71073","MoKα","","0.0508","0.0284","","","0.0525","0.0588","","","","","","1.002","","","","has coordinates","300592","2025-07-06","14:11:51",""
"1574382","14.4961","0.0006","7.8886","0.0004","16.379","0.0008","90","","93.194","0.002","90","","1870.09","0.15","150","2","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Br4 N4 Zn -","- C12 H18 Br4 N4 Zn -","- C48 H72 Br16 N16 Zn4 -","4","0.5","","Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin","Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence","Chemical Science","2025","16","19","8291","8301","10.1039/D5SC00931F","","","0.71073","MoKα","","0.0324","0.0219","","","0.0496","0.0533","","","","","","1.038","","","","has coordinates","300592","2025-07-06","14:11:51",""
"1574383","8.0104","0.0002","11.5319","0.0004","13.8196","0.0004","90","","105.667","0.001","90","","1229.16","0.06","150","2","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H13 Cl3 N2 Zn -","- C8 H13 Cl3 N2 Zn -","- C32 H52 Cl12 N8 Zn4 -","4","1","","Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin","Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence","Chemical Science","2025","16","19","8291","8301","10.1039/D5SC00931F","","","0.71073","MoKα","","0.065","0.0351","","","0.0565","0.0656","","","","","","1.048","","","","has coordinates","300592","2025-07-06","14:11:51",""
"1574384","9.3199","0.0004","13.5559","0.0006","10.0752","0.0004","90","","105.093","0.002","90","","1228.99","0.09","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H12 Cl4 N2 Zn -","- C7 H12 Cl4 N2 Zn -","- C28 H48 Cl16 N8 Zn4 -","4","1","","Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin","Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence","Chemical Science","2025","16","19","8291","8301","10.1039/D5SC00931F","","","0.71073","MoKα","","0.0301","0.0218","","","0.0504","0.0533","","","","","","1.053","","","","has coordinates","300592","2025-07-06","14:11:51",""
"1574385","7.4173","0.0002","12.0708","0.0004","12.3184","0.0003","90","","92.933","0.001","90","","1101.46","0.05","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H11 Cl3 N2 Zn -","- C7 H11 Cl3 N2 Zn -","- C28 H44 Cl12 N8 Zn4 -","4","1","","Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin","Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence","Chemical Science","2025","16","19","8291","8301","10.1039/D5SC00931F","","","0.71073","MoKα","","0.0267","0.0218","","","0.0505","0.0521","","","","","","1.078","","","","has coordinates","300592","2025-07-06","14:11:51",""
"1574386","11.5216","0.0004","9.1377","0.0003","13.3073","0.0004","90","","101.747","0.001","90","","1371.66","0.08","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 Cl4 N2 Zn -","- C8 H14 Cl4 N2 Zn -","- C32 H56 Cl16 N8 Zn4 -","4","1","","Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin","Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence","Chemical Science","2025","16","19","8291","8301","10.1039/D5SC00931F","","","0.71073","MoKα","","0.0388","0.0248","","","0.0517","0.056","","","","","","1.04","","","","has coordinates","300592","2025-07-06","14:11:51",""
"1574387","25.8746","0.0008","7.9515","0.0003","13.9583","0.0005","90","","93.801","0.001","90","","2865.49","0.17","150","2","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","C8H13Br4N2Zn","","- C8 H14 Br4 N2 Zn -","- C8 H14 Br4 N2 Zn -","- C64 H112 Br32 N16 Zn8 -","8","1","","Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin","Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence","Chemical Science","2025","16","19","8291","8301","10.1039/D5SC00931F","","","0.71073","MoKα","","0.0386","0.024","","","0.0489","0.0532","","","","","","1.002","","","","has coordinates","300592","2025-07-06","14:11:51",""
"1574388","8.2015","0.0003","11.6705","0.0004","13.9617","0.0004","90","","104.989","0.001","90","","1290.88","0.07","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H13 Br3 N2 Zn -","- C8 H13 Br3 N2 Zn -","- C32 H52 Br12 N8 Zn4 -","4","1","","Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin","Tuning covalent bonding in zinc-based hybrid halides towards tunable room-temperature phosphorescence","Chemical Science","2025","16","19","8291","8301","10.1039/D5SC00931F","","","0.71073","MoKα","","0.0466","0.04","","","0.1157","0.1214","","","","","","1.1","","","","has coordinates","300592","2025-07-06","14:11:52",""
"1574389","9.057","0.0003","9.1234","0.0002","18.0236","0.0004","90","","97.553","0.002","90","","1476.38","0.07","100.15","","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis[2-{4-methylpyrazol-1-yl}-6-{pyrazol-1-yl}pyridine]iron(II)di(perchlorate)","","- C24 H22 Cl2 Fe N10 O8 -","- C24 H22 Cl2 Fe N10 O8 -","- C48 H44 Cl4 Fe2 N20 O16 -","2","1","","Sephton, Holly E.; Watson, Rhiannon L.; Shahid, Namrah; Vasili, Hari Babu; Baker, Daniel L.; Saha, Dipankar; Capel Berdiell, Izar; Pask, Christopher M.; Cespedes, Oscar; Halcrow, Malcolm A.","The impact of whole-molecule disorder on spin-crossover in a family of isomorphous molecular crystals","Chemical Science","2025","16","21","9203","9212","10.1039/D5SC00090D","","","0.6889","synchrotron","","0.0807","0.056","","","0.1542","0.169","","","","","","1.033","","","","has coordinates,has disorder","300671","2025-07-06","14:47:28",""
"1574390","9.5177","0.0012","9.3657","0.0013","16.524","0.003","90","","93.848","0.013","90","","1469.6","0.4","100.15","","100.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","Bis[2-{4-bromopyrazol-1-yl}-6-{pyrazol-1-yl}pyridine]iron(II)di(tetrafluoroborate)","","- C22 H16 B2 Br2 F8 Fe N10 -","- C22 H16 B2 Br2 F8 Fe N10 -","- C44 H32 B4 Br4 F16 Fe2 N20 -","2","1","","Sephton, Holly E.; Watson, Rhiannon L.; Shahid, Namrah; Vasili, Hari Babu; Baker, Daniel L.; Saha, Dipankar; Capel Berdiell, Izar; Pask, Christopher M.; Cespedes, Oscar; Halcrow, Malcolm A.","The impact of whole-molecule disorder on spin-crossover in a family of isomorphous molecular crystals","Chemical Science","2025","16","21","9203","9212","10.1039/D5SC00090D","","","0.6889","synchrotron","","0.0969","0.0502","","","0.1009","0.1075","","","","","","0.765","","","","has coordinates,has disorder","300671","2025-07-06","14:47:28",""
"1574391","9.1111","0.0002","9.1607","0.0002","18.1574","0.0003","90","","97.194","0.002","90","","1503.56","0.05","220.15","","220.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis[2-{4-methylpyrazol-1-yl}-6-{pyrazol-1-yl}pyridine]iron(II)di(perchlorate)","","- C24 H22 Cl2 Fe N10 O8 -","- C24 H22 Cl2 Fe N10 O8 -","- C48 H44 Cl4 Fe2 N20 O16 -","2","1","","Sephton, Holly E.; Watson, Rhiannon L.; Shahid, Namrah; Vasili, Hari Babu; Baker, Daniel L.; Saha, Dipankar; Capel Berdiell, Izar; Pask, Christopher M.; Cespedes, Oscar; Halcrow, Malcolm A.","The impact of whole-molecule disorder on spin-crossover in a family of isomorphous molecular crystals","Chemical Science","2025","16","21","9203","9212","10.1039/D5SC00090D","","","0.6889","synchrotron","","0.0919","0.0554","","","0.1571","0.1776","","","","","","0.911","","","","has coordinates,has disorder","300671","2025-07-06","14:47:28",""
"1574392","9.0949","0.001","9.0814","0.0007","18.745","0.0014","90","","93.755","0.007","90","","1544.9","0.2","300.15","","300.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis[2-{4-methylpyrazol-1-yl}-6-{pyrazol-1-yl}pyridine]iron(II)di(perchlorate)","","- C24 H22 Cl2 Fe N10 O8 -","- C24 H22 Cl2 Fe N10 O8 -","- C48 H44 Cl4 Fe2 N20 O16 -","2","1","","Sephton, Holly E.; Watson, Rhiannon L.; Shahid, Namrah; Vasili, Hari Babu; Baker, Daniel L.; Saha, Dipankar; Capel Berdiell, Izar; Pask, Christopher M.; Cespedes, Oscar; Halcrow, Malcolm A.","The impact of whole-molecule disorder on spin-crossover in a family of isomorphous molecular crystals","Chemical Science","2025","16","21","9203","9212","10.1039/D5SC00090D","","","0.6889","synchrotron","","0.1173","0.0719","","","0.2136","0.2419","","","","","","0.861","","","","has coordinates,has disorder","300671","2025-07-06","14:47:28",""
"1574393","9.0959","0.0002","9.1543","0.0002","18.09","0.0003","90","","97.453","0.002","90","","1493.57","0.05","180.15","","180.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis[2-{4-methylpyrazol-1-yl}-6-{pyrazol-1-yl}pyridine]iron(II)diperchlorate","","- C24 H22 Cl2 Fe N10 O8 -","- C24 H22 Cl2 Fe N10 O8 -","- C48 H44 Cl4 Fe2 N20 O16 -","2","1","","Sephton, Holly E.; Watson, Rhiannon L.; Shahid, Namrah; Vasili, Hari Babu; Baker, Daniel L.; Saha, Dipankar; Capel Berdiell, Izar; Pask, Christopher M.; Cespedes, Oscar; Halcrow, Malcolm A.","The impact of whole-molecule disorder on spin-crossover in a family of isomorphous molecular crystals","Chemical Science","2025","16","21","9203","9212","10.1039/D5SC00090D","","","0.6889","synchrotron","","0.0853","0.0531","","","0.1475","0.1645","","","","","","0.914","","","","has coordinates,has disorder","300671","2025-07-06","14:47:28",""
"1574397","20.8136","0.0018","6.0124","0.0004","21.4653","0.0018","90","","116.226","0.01","90","","2409.6","0.4","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","21","","- C58 H54 Cl6 -","- C58 H54 Cl6 -","- C116 H108 Cl12 -","2","0.5","","Erchinger, Johannes E.; Okumura, Tsubasa; Nakata, Kanami; Shimizu, Daisuke; Daniliuc, Constanstin G.; Amaike, Kazuma; Glorius, Frank; Itami, Kenichiro; Ito, Hideto","Functionalization and solubilization of polycyclic aromatic compounds by sulfoniumization","Chemical Science","2025","16","19","8262","8267","10.1039/D5SC01415H","","x-ray","0.71073","MoKα","","0.1094","0.0735","","","0.2135","0.2358","","","","","","1.075","","","","has coordinates,has disorder","300601","2025-07-06","14:14:24",""
"1574398","10.3623","0.0003","10.749","0.0003","11.4494","0.0003","65.158","0.001","86.14","0.001","73.882","0.001","1110.01","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H17 B Cl2 F4 S2 -","- C23 H17 B Cl2 F4 S2 -","- C46 H34 B2 Cl4 F8 S4 -","2","1","","Erchinger, Johannes E.; Okumura, Tsubasa; Nakata, Kanami; Shimizu, Daisuke; Daniliuc, Constanstin G.; Amaike, Kazuma; Glorius, Frank; Itami, Kenichiro; Ito, Hideto","Functionalization and solubilization of polycyclic aromatic compounds by sulfoniumization","Chemical Science","2025","16","19","8262","8267","10.1039/D5SC01415H","","single crystal","0.71073","MoKα","","0.0457","0.0424","","","0.1184","0.1217","","","","","","1.054","","","","has coordinates,has disorder","300601","2025-07-06","14:14:25",""
"1574399","15.1406","0.0008","10.3948","0.0005","32.4934","0.0017","90","","100.849","0.002","90","","5022.5","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H19 B F4 S2 -","- C28 H19 B F4 S2 -","- C224 H152 B8 F32 S16 -","8","1","","Erchinger, Johannes E.; Okumura, Tsubasa; Nakata, Kanami; Shimizu, Daisuke; Daniliuc, Constanstin G.; Amaike, Kazuma; Glorius, Frank; Itami, Kenichiro; Ito, Hideto","Functionalization and solubilization of polycyclic aromatic compounds by sulfoniumization","Chemical Science","2025","16","19","8262","8267","10.1039/D5SC01415H","","x-ray","0.71073","MoKα","","0.0372","0.0337","","","0.0862","0.0885","","","","","","1.038","","","","has coordinates,has disorder","300601","2025-07-06","14:14:25",""
"1574400","10.6757","0.0006","15.4534","0.0007","11.9779","0.0007","90","","109.437","0.002","90","","1863.44","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 B F4 S2 -","- C22 H15 B F4 S2 -","- C88 H60 B4 F16 S8 -","4","1","","Erchinger, Johannes E.; Okumura, Tsubasa; Nakata, Kanami; Shimizu, Daisuke; Daniliuc, Constanstin G.; Amaike, Kazuma; Glorius, Frank; Itami, Kenichiro; Ito, Hideto","Functionalization and solubilization of polycyclic aromatic compounds by sulfoniumization","Chemical Science","2025","16","19","8262","8267","10.1039/D5SC01415H","","x-ray","0.71073","MoKα","","0.0413","0.0325","","","0.0811","0.0874","","","","","","1.013","","","","has coordinates","300601","2025-07-06","14:14:25",""
"1574401","8.083","0.0004","11.2048","0.0006","18.8269","0.0008","90","","90","","90","","1705.12","0.14","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","NMes-OO","","","- C17 H20 N2 O4 S -","- C17 H20 N2 O4 S -","- C68 H80 N8 O16 S4 -","4","1","","Jung, Eunsong; Rizzo, Antonio; Ryu, Hanseul; Cho, Minyoung; Choi, Tae-Lim","Controlled polymerization of levoglucosenone-derived enynes to give bio-based polymers with tunable degradation rates and high glass transition temperatures","Chemical Science","2025","16","19","8435","8442","10.1039/D5SC00630A","","","0.71073","MoKα","","0.0412","0.038","","","0.098","0.1001","","","","","","1.031","","","","has coordinates","300597","2025-07-06","14:13:14",""
"1574402","8.4134","0.0006","14.6866","0.0011","18.7432","0.0013","90","","90","","90","","2316","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","NTs-ONTs","","","- C23 H24 N2 O5 S2 -","- C23 H24 N2 O5 S2 -","- C92 H96 N8 O20 S8 -","4","1","","Jung, Eunsong; Rizzo, Antonio; Ryu, Hanseul; Cho, Minyoung; Choi, Tae-Lim","Controlled polymerization of levoglucosenone-derived enynes to give bio-based polymers with tunable degradation rates and high glass transition temperatures","Chemical Science","2025","16","19","8435","8442","10.1039/D5SC00630A","","","0.71073","MoKα","","0.0376","0.0338","","","0.0822","0.084","","","","","","1.097","","","","has coordinates","300597","2025-07-06","14:13:15",""
"1574403","6.1916","0.0008","7.5616","0.0009","27.676","0.003","90","","90","","90","","1295.7","0.3","100","0.2","100","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,2S)-2-(4-(benzyloxy)phenyl)cyclopropane-1-carbonitrile","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","1","","Tan, Hao-Chong; Shing, Ka-Pan; Wang, Hua-Hua; Liu, Yungen; Che, Chi-Ming","Chiral iron porphyrin (+)-D4-(por)FeCl catalyzes highly enantioselective cyclopropanation of alkenes using in situ generated diazoacetonitrile with up to 35 000 product turnover","Chemical Science","2025","16","17","7191","7202","10.1039/D5SC00461F","","x-ray","1.34138","GaKα","","0.0439","0.0425","","","0.1111","0.1119","","","","","","1.039","","","","has coordinates","300588","2025-07-06","14:10:32",""
"1574404","9.2102","0.0014","6.6977","0.001","14.702","0.002","90","","98.797","0.004","90","","896.3","0.2","100","0.2","100","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,2S)-2-(4-nitrophenyl)cyclopropane-1-carbonitrile","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C40 H32 N8 O8 -","4","2","","Tan, Hao-Chong; Shing, Ka-Pan; Wang, Hua-Hua; Liu, Yungen; Che, Chi-Ming","Chiral iron porphyrin (+)-D4-(por)FeCl catalyzes highly enantioselective cyclopropanation of alkenes using in situ generated diazoacetonitrile with up to 35 000 product turnover","Chemical Science","2025","16","17","7191","7202","10.1039/D5SC00461F","","x-ray","1.34138","GaKα","","0.0399","0.0396","","","0.106","0.1064","","","","","","1.06","","","","has coordinates","300588","2025-07-06","14:10:32",""
"1574405","7.186","0.0006","10.3981","0.0008","12.9161","0.001","90","","90","","90","","965.1","0.13","100","0.2","100","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,2R)-2-phenyl-2-(trifluoromethyl)cyclopropane-1-carbonitrile","","- C11 H8 F3 N -","- C11 H8 F3 N -","- C44 H32 F12 N4 -","4","1","","Tan, Hao-Chong; Shing, Ka-Pan; Wang, Hua-Hua; Liu, Yungen; Che, Chi-Ming","Chiral iron porphyrin (+)-D4-(por)FeCl catalyzes highly enantioselective cyclopropanation of alkenes using in situ generated diazoacetonitrile with up to 35 000 product turnover","Chemical Science","2025","16","17","7191","7202","10.1039/D5SC00461F","","x-ray","1.34138","GaKα","","0.0433","0.0416","","","0.1063","0.1077","","","","","","1.079","","","","has coordinates","300588","2025-07-06","14:10:32",""
"1574406","10.4077","0.001","7.4147","0.0008","14.8363","0.0016","90","","92.504","0.004","90","","1143.8","0.2","100","0.2","100","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S,2S)-2-(Ferrocenyl)cyclopropane-1-carbonitrile","","- C14 H13 Fe N -","- C14 H13 Fe N -","- C56 H52 Fe4 N4 -","4","2","","Tan, Hao-Chong; Shing, Ka-Pan; Wang, Hua-Hua; Liu, Yungen; Che, Chi-Ming","Chiral iron porphyrin (+)-D4-(por)FeCl catalyzes highly enantioselective cyclopropanation of alkenes using in situ generated diazoacetonitrile with up to 35 000 product turnover","Chemical Science","2025","16","17","7191","7202","10.1039/D5SC00461F","","x-ray","1.34138","GaKα","","0.0416","0.0376","","","0.0961","0.099","","","","","","1.083","","","","has coordinates","300588","2025-07-06","14:10:32",""
"1574407","7.0173","0.0004","9.839","0.0006","12.9563","0.0008","90","","90","","90","","894.54","0.09","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,2R)-2-bromo-2-phenylcyclopropane-1-carbonitrile","","- C10 H8 Br N -","- C10 H8 Br N -","- C40 H32 Br4 N4 -","4","1","","Tan, Hao-Chong; Shing, Ka-Pan; Wang, Hua-Hua; Liu, Yungen; Che, Chi-Ming","Chiral iron porphyrin (+)-D4-(por)FeCl catalyzes highly enantioselective cyclopropanation of alkenes using in situ generated diazoacetonitrile with up to 35 000 product turnover","Chemical Science","2025","16","17","7191","7202","10.1039/D5SC00461F","","","1.34138","GaKα","","0.0427","0.0332","","","0.056","0.0586","","","","","","1.12","","","","has coordinates","300588","2025-07-06","14:10:32",""
"1574408","7.5069","0.0004","18.7077","0.0016","17.6728","0.0007","90","","90.683","0.005","90","","2481.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(SIMes)BH2(ASCO)","7","","- C25.5 H32 As B N2 O -","- C25.5 H32 As B N2 O -","- C102 H128 As4 B4 N8 O4 -","4","1","","Jürgensen, Malte; Kunz, Tanja; Arrowsmith, Merle; Dietz, Maximilian; Hagspiel, Stephan; Braunschweig, Holger","Synthesis and reactivity of a parent phosphathioethynolato-borane and a boraarsaketene","Chemical Science","2025","16","20","8870","8877","10.1039/D5SC01996F","","x-ray","1.54184","CuKα","K-L~2,3~","0.1611","0.1157","","","0.3318","0.3669","","","","","","1.317","","","","has coordinates,has disorder","300628","2025-07-06","14:28:25",""
"1574409","16.551","0.0002","8.9942","0.0001","20.2775","0.0002","90","","93.55","0.001","90","","3012.78","0.06","100","2","100","0.12","","","","","","","","7","C 1 2 1","C 2y","5","(SIMes)BH2OTf","1-SIMes","","- C31 H37 B F3 N2 O3 S -","- C31 H37 B F3 N2 O3 S -","- C124 H148 B4 F12 N8 O12 S4 -","4","1","","Jürgensen, Malte; Kunz, Tanja; Arrowsmith, Merle; Dietz, Maximilian; Hagspiel, Stephan; Braunschweig, Holger","Synthesis and reactivity of a parent phosphathioethynolato-borane and a boraarsaketene","Chemical Science","2025","16","20","8870","8877","10.1039/D5SC01996F","","","1.54184","CuKα","","0.0326","0.0323","","","0.0878","0.0881","","","","","","1.06","","","","has coordinates","300628","2025-07-06","14:28:26",""
"1574410","7.5149","0.0001","19.1431","0.0002","17.1323","0.0001","90","","90.562","0.001","90","","2464.51","0.04","100","2","99.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(SIMes)BH2(SCP)","2-SIMes","","- C25 H31 B N2 P S -","- C25 H31 B N2 P S -","- C100 H124 B4 N8 P4 S4 -","4","1","","Jürgensen, Malte; Kunz, Tanja; Arrowsmith, Merle; Dietz, Maximilian; Hagspiel, Stephan; Braunschweig, Holger","Synthesis and reactivity of a parent phosphathioethynolato-borane and a boraarsaketene","Chemical Science","2025","16","20","8870","8877","10.1039/D5SC01996F","","","1.54184","CuKα","","0.0441","0.0418","","","0.1144","0.1159","","","","","","1.028","","","","has coordinates,has disorder","300628","2025-07-06","14:28:26",""
"1574411","20.8665","0.0002","8.2701","0.0001","23.3283","0.0002","90","","90.258","0.001","90","","4025.68","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(SIMes)[BP(H)B(H)(C2B10H10Me)C(C12H8)S]","6","","- C37 H49 B12 N2 P S -","- C37 H49 B12 N2 P S -","- C148 H196 B48 N8 P4 S4 -","4","1","","Jürgensen, Malte; Kunz, Tanja; Arrowsmith, Merle; Dietz, Maximilian; Hagspiel, Stephan; Braunschweig, Holger","Synthesis and reactivity of a parent phosphathioethynolato-borane and a boraarsaketene","Chemical Science","2025","16","20","8870","8877","10.1039/D5SC01996F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0523","0.0414","","","0.1028","0.1081","","","","","","1.035","","","","has coordinates","300628","2025-07-06","14:28:26",""
"1574412","13.8895","0.0002","14.0251","0.0002","14.5748","0.0002","61.329","0.002","73.845","0.001","64.999","0.002","2247.48","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(SIMes)BH2(As-C4BPh5)","8","","- C55 H53 As B2 N2 -","- C55 H53 As B2 N2 -","- C110 H106 As2 B4 N4 -","2","1","","Jürgensen, Malte; Kunz, Tanja; Arrowsmith, Merle; Dietz, Maximilian; Hagspiel, Stephan; Braunschweig, Holger","Synthesis and reactivity of a parent phosphathioethynolato-borane and a boraarsaketene","Chemical Science","2025","16","20","8870","8877","10.1039/D5SC01996F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0473","0.0459","","","0.1253","0.1264","","","","","","1.042","","","","has coordinates,has disorder","300628","2025-07-06","14:28:26",""
"1574413","19.026","0.0002","24.2587","0.0001","9.7105","0.0001","90","","121.337","0.001","90","","3828.05","0.07","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","(SIMes)BH2S(CN3PPhCF3)","3-PhCF3","","- C41 H44 B F3 N5 P S -","- C41 H44 B F3 N5 P S -","- C164 H176 B4 F12 N20 P4 S4 -","4","2","","Jürgensen, Malte; Kunz, Tanja; Arrowsmith, Merle; Dietz, Maximilian; Hagspiel, Stephan; Braunschweig, Holger","Synthesis and reactivity of a parent phosphathioethynolato-borane and a boraarsaketene","Chemical Science","2025","16","20","8870","8877","10.1039/D5SC01996F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0401","0.0377","","","0.1019","0.1037","","","","","","1.06","","","","has coordinates,has disorder","300628","2025-07-06","14:28:26",""
"1574414","9.4437","0.0001","20.1987","0.0001","26.6309","0.0001","90","","90","","90","","5079.86","0.06","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(SIMes)BH2C(Ph)B(Ph)S(C4PPh3)","5","","- C63 H61 B2 N2 P S -","- C63 H61 B2 N2 P S -","- C252 H244 B8 N8 P4 S4 -","4","1","","Jürgensen, Malte; Kunz, Tanja; Arrowsmith, Merle; Dietz, Maximilian; Hagspiel, Stephan; Braunschweig, Holger","Synthesis and reactivity of a parent phosphathioethynolato-borane and a boraarsaketene","Chemical Science","2025","16","20","8870","8877","10.1039/D5SC01996F","","x-ray","1.54184","CuKα","K-L~2,3~","0.0297","0.0291","","","0.0801","0.0805","","","","","","1.026","","","","has coordinates,has disorder","300628","2025-07-06","14:28:26",""
"1574416","7.41048","0.00005","6.29241","0.00005","28.7488","0.00018","90","","94.1631","0.0006","90","","1337.01","0.016","143.15","","143.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C56 H60 N4 O16 -","4","2","","Dai, Ling; Chen, Ying-Ying; Wang, Jing-Jun; Chen, Jun-Jia; Zhou, Qi-Lin","Photoinduced copper-catalysed enantioselective amination of allylic and propargylic C–H bonds","Chemical Science","2025","16","21","9213","9219","10.1039/D5SC00872G","","x-ray","1.54184","CuKα","","0.0313","0.0308","","","0.0913","0.0918","","","","","","1.109","","","","has coordinates","300675","2025-07-06","14:48:39",""
"1574417","8.7615","0.0003","10.5013","0.0003","17.8315","0.0006","84.768","0.003","83.36","0.003","85.557","0.003","1619.11","0.09","123","2","123","2","","","","","","","","2","P -1","-P 1","2","","7k","","- C24 H26 -","- C24 H26 -","- C96 H104 -","4","2","","Toyama, Yoshifumi; Nakamura, Takumu; Horikawa, Yushin; Morinaka, Yuta; Ono, Yohei; Yagi, Akiko; Itami, Kenichiro; Ito, Hideto","Rh-catalyzed mechanochemical transfer hydrogenation for the synthesis of periphery-hydrogenated polycyclic aromatic compounds","Chemical Science","2025","16","21","9117","9124","10.1039/D5SC01489A","","x-ray","0.71073","MoKα","","0.0561","0.0456","","","0.1274","0.1334","","","","","","1.103","","","","has coordinates","300672","2025-07-06","14:47:38",""
"1574418","25.7173","0.0012","13.4757","0.0006","8.5134","0.0004","90","","90","","90","","2950.4","0.2","123","2","123","2","","","","","","","","2","C c c a :2","-C 2a 2ac","68","","7e","","- C42 H36 -","- C42 H36 -","- C168 H144 -","4","0.25","","Toyama, Yoshifumi; Nakamura, Takumu; Horikawa, Yushin; Morinaka, Yuta; Ono, Yohei; Yagi, Akiko; Itami, Kenichiro; Ito, Hideto","Rh-catalyzed mechanochemical transfer hydrogenation for the synthesis of periphery-hydrogenated polycyclic aromatic compounds","Chemical Science","2025","16","21","9117","9124","10.1039/D5SC01489A","","x-ray","0.71073","MoKα","","0.0466","0.0387","","","0.1035","0.1089","","","","","","1.044","","","","has coordinates","300672","2025-07-06","14:47:38",""
"1574419","9.5878","0.0007","17.3304","0.0017","20.2331","0.0015","90","","102.886","0.008","90","","3277.3","0.5","123","2","123","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","compound_6c","","- C22 H32 -","- C22 H32 -","- C176 H256 -","8","1","","Toyama, Yoshifumi; Nakamura, Takumu; Horikawa, Yushin; Morinaka, Yuta; Ono, Yohei; Yagi, Akiko; Itami, Kenichiro; Ito, Hideto","Rh-catalyzed mechanochemical transfer hydrogenation for the synthesis of periphery-hydrogenated polycyclic aromatic compounds","Chemical Science","2025","16","21","9117","9124","10.1039/D5SC01489A","","x-ray","0.71073","MoKα","","0.1014","0.072","","","0.1933","0.2108","","","","","","1.042","","","","has coordinates","300672","2025-07-06","14:47:38",""
"1574422","17.3151","0.0008","19.776","0.0009","24.0152","0.001","104.281","0.002","99.666","0.002","110.711","0.002","7152.9","0.6","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C168 H132 N4 O8 P4 -","- C168 H132 N4 O8 P4 -","- C336 H264 N8 O16 P8 -","2","1","","Yang, Bo; Yan, Suqiong; Ban, Shirong; Ma, Hui; Zhang, Yuan; Feng, Fanda; Huang, Wei","Customizing circularly polarized afterglow by stepwise chiral amplification in BINAPs/BINAPOs","Chemical Science","2025","16","21","9393","9405","10.1039/D4SC08710K","","","1.34139","GaKα","","0.184","0.1083","","","0.2529","0.283","","","","","","1.02","","","","has coordinates","300673","2025-07-06","14:47:49",""
"1574423","11.8295","0.0007","6.0362","0.0003","14.3214","0.0009","90","","109.685","0.003","90","","962.86","0.1","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 S2 -","- C12 H8 Du4 S2 -","- C48 H32 Du16 S8 -","4","1","","Zeng, Huiwen; Li, Hualiu; Zhen, Peng; Zhou, Jiadong; Xu, Bingjia; Shi, Guang; Zhang, Yujian; Chi, Zhenguo; Liu, Cong","Tuning intramolecular charge transfer and suppressing rotations in thianthrene derivatives for enhancement of room-temperature phosphorescence","Chemical Science","2025","16","21","9169","9177","10.1039/D5SC01176K","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","300666","2025-07-06","14:46:19",""
"1574424","7.8218","0.0005","8.1282","0.0005","16.4591","0.001","84.174","0.002","77.024","0.002","63.829","0.002","915.16","0.1","100","2","100","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H16 S2 -","- C26 H16 S2 -","- C52 H32 S4 -","2","1","","Zeng, Huiwen; Li, Hualiu; Zhen, Peng; Zhou, Jiadong; Xu, Bingjia; Shi, Guang; Zhang, Yujian; Chi, Zhenguo; Liu, Cong","Tuning intramolecular charge transfer and suppressing rotations in thianthrene derivatives for enhancement of room-temperature phosphorescence","Chemical Science","2025","16","21","9169","9177","10.1039/D5SC01176K","","","0.71073","MoKα","","0.0467","0.0375","","","0.0839","0.0899","","","","","","1.024","","","","has coordinates","300666","2025-07-06","14:46:19",""
"1574425","11.4034","0.0005","11.4007","0.0004","21.3464","0.0009","90","","97.826","0.002","90","","2749.33","0.19","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 S2 -","- C18 H12 S2 -","- C144 H96 S16 -","8","2","","Zeng, Huiwen; Li, Hualiu; Zhen, Peng; Zhou, Jiadong; Xu, Bingjia; Shi, Guang; Zhang, Yujian; Chi, Zhenguo; Liu, Cong","Tuning intramolecular charge transfer and suppressing rotations in thianthrene derivatives for enhancement of room-temperature phosphorescence","Chemical Science","2025","16","21","9169","9177","10.1039/D5SC01176K","","","0.71073","MoKα","","0.0493","0.0349","","","0.0826","0.0901","","","","","","1.024","","","","has coordinates","300666","2025-07-06","14:46:19",""
"1574426","20.081","0.003","11.1282","0.0017","29.075","0.005","90","","91.588","0.007","90","","6494.8","1.8","197","","197","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 S2 -","- C18.4328 H11.5592 S1.81225 -","- C294.924 H184.948 S28.996 -","16","4","","Zeng, Huiwen; Li, Hualiu; Zhen, Peng; Zhou, Jiadong; Xu, Bingjia; Shi, Guang; Zhang, Yujian; Chi, Zhenguo; Liu, Cong","Tuning intramolecular charge transfer and suppressing rotations in thianthrene derivatives for enhancement of room-temperature phosphorescence","Chemical Science","2025","16","21","9169","9177","10.1039/D5SC01176K","","","1.54178","CuKα","","0.0456","0.0433","","","0.0983","0.0995","","","","","","1.11","","","","has coordinates,has disorder","300666","2025-07-06","14:46:19",""
"1574434","25.4599","0.001","4.8787","0.0002","23.7344","0.0009","90","","107.608","0.004","90","","2810","0.2","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","nicotinamide_3-hydroxy-2-napthoic acid","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C136 H112 N16 O32 -","8","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0359","0.0316","","","0.0825","0.0851","","","","","","1.047","","","","has coordinates","300556","2025-07-06","13:54:51",""
"1574435","9.6893","0.0001","16.7367","0.0002","15.0094","0.0002","90","","99.937","0.001","90","","2397.51","0.05","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","4,4'-bipyridine_methyl_gallate_MeNO2","","- C48 H50 N8 O16 -","- C48 H50 N8 O16 -","- C96 H100 N16 O32 -","2","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0481","0.0428","","","0.1164","0.12","","","","","","1.04","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574436","5.198","0.0003","7.7142","0.0004","16.8659","0.0008","85.429","0.004","88.957","0.004","83.901","0.004","670.3","0.06","149.99","0.1","149.99","0.1","","","","","","","","4","P -1","-P 1","2","","nicotinamide_methyl gallate","","- C14 H14 N2 O6 -","- C14 H14 N2 O6 -","- C28 H28 N4 O12 -","2","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0537","0.0449","","","0.1245","0.1323","","","","","","1.05","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574437","8.2386","0.0006","9.1933","0.0006","12.2557","0.0007","109.346","0.005","104.319","0.006","92.86","0.005","839.76","0.1","150.15","","150.15","","","","","","","","","4","P -1","-P 1","2","","caffeine_quinol","","- C17 H19 N4 O5 -","- C17 H19 N4 O5 -","- C34 H38 N8 O10 -","2","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0678","0.055","","","0.1525","0.1658","","","","","","1.06","","","","has coordinates,has disorder","300556","2025-07-06","13:54:52",""
"1574438","5.7882","0.0002","8.051","0.0003","13.3821","0.0005","96.039","0.003","91.946","0.003","94.003","0.003","618.11","0.04","150","","150","","","","","","","","","4","P -1","-P 1","2","","nicotinamide_2,4-dihydroxybenzoic acid","","- C13 H12 N2 O5 -","- C13 H12 N2 O5 -","- C26 H24 N4 O10 -","2","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0413","0.0351","","","0.0965","0.1","","","","","","1.072","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574439","6.2329","0.0007","22.008","0.003","9.4129","0.0011","90","","99.411","0.01","90","","1273.8","0.3","294.98","0.17","294.98","0.17","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,4'-bipyridine_3,5-dinitrobenzoic acid","","- C12 H8 N3 O6 -","- C12 H8 N3 O6 -","- C48 H32 N12 O24 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0832","0.0593","","","0.157","0.1716","","","","","","1.089","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574440","9.7342","0.0006","10.4465","0.0005","10.8557","0.0007","77.28","0.005","86.238","0.005","72.443","0.005","1026.64","0.11","150","","150","","","","","","","","","4","P -1","-P 1","2","","4,4'-bipyridine_3-hydroxy-2-naphthoic acid","","- C26 H20 N3 O3 -","- C26 H20 N3 O3 -","- C52 H40 N6 O6 -","2","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0579","0.0457","","","0.1133","0.1201","","","","","","1.062","","","","has coordinates,has disorder","300556","2025-07-06","13:54:52",""
"1574441","9.0412","0.0005","24.4254","0.001","8.6209","0.0005","90","","116.71","0.007","90","","1700.65","0.19","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","caffeine_3-hydroxy-2-naphthoic acid","","- C19 H18 N4 O5 -","- C19 H18 N4 O5 -","- C76 H72 N16 O20 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0427","0.0395","","","0.109","0.1116","","","","","","1.059","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574442","9.4553","0.0002","17.6614","0.0004","28.0494","0.0005","90","","93.143","0.002","90","","4677.03","0.17","150","","150","","","","","","","","","4","C 1 c 1","C -2yc","9","","4,4'-bipyridine_methyl gallate_DMF_H2O","","- C49 H51 N7 O13 -","- C49 H51 N7 O13 -","- C196 H204 N28 O52 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0282","0.0274","","","0.0749","0.0753","","","","","","1.049","","","","has coordinates,has disorder","300556","2025-07-06","13:54:52",""
"1574443","7.1718","0.0004","8.5853","0.0005","13.748","0.0006","90.289","0.004","100.961","0.004","106.499","0.005","795.26","0.08","150","","150","","","","","","","","","4","P -1","-P 1","2","","caffeine_2,4-dihydroxybenzoic acid_H2O","","- C15 H18 N4 O7 -","- C15 H18 N4 O7 -","- C30 H36 N8 O14 -","2","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.062","0.048","","","0.1219","0.129","","","","","","1.05","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574444","13.6498","0.0005","7.3982","0.0002","16.4817","0.0005","90","","106.994","0.003","90","","1591.71","0.09","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-dipyridine_3,5-dinitrobenzoic acid","","- C17 H12 N4 O6 -","- C17 H12 N4 O6 -","- C68 H48 N16 O24 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0476","0.0422","","","0.1187","0.1243","","","","","","1.045","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574445","10.6221","0.0004","11.3226","0.0003","11.5995","0.0005","90","","107.861","0.004","90","","1327.83","0.09","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-hydroxy-2-naphthoic acid_1,2-bis(4-pyridyl)ethane","","- C17 H14 N O3 -","- C17 H14 N O3 -","- C68 H56 N4 O12 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0641","0.0551","","","0.1318","0.1366","","","","","","1.147","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574446","7.4821","0.0004","9.4572","0.0004","13.6078","0.0007","83.084","0.004","78.243","0.005","68.6","0.005","876.57","0.08","150.11","0.1","150.11","0.1","","","","","","","","4","P -1","-P 1","2","","orcino_phenazine","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C42 H40 N4 O6 -","2","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0526","0.0464","","","0.1318","0.1376","","","","","","1.072","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574447","13.0056","0.0003","6.5779","0.0002","17.0942","0.0004","90","","97.832","0.002","90","","1448.76","0.07","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","caffeine_glutaric acid","","- C13 H18 N4 O6 -","- C13 H18 N4 O6 -","- C52 H72 N16 O24 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0472","0.0377","","","0.1044","0.1116","","","","","","1.034","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574448","7.6282","0.0004","9.2277","0.0004","10.0237","0.0005","90","","111.011","0.006","90","","658.66","0.06","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tetramethylpyrazine_quinol","","- C14 H18 N2 O2 -","- C14 H18 N2 O2 -","- C28 H36 N4 O4 -","2","0.5","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0363","0.0338","","","0.0906","0.0922","","","","","","1.075","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574449","6.9229","0.0002","10.1175","0.0003","23.0844","0.0007","90","","91.161","0.002","90","","1616.56","0.08","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","caffeine_methyl gallate","","- C16 H18 N4 O7 -","- C16 H18 N4 O7 -","- C64 H72 N16 O28 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0347","0.033","","","0.0946","0.0961","","","","","","1.056","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574450","7.239","0.0002","7.5083","0.0002","15.0443","0.0004","77.229","0.002","80.117","0.002","65.746","0.003","724.07","0.04","149.99","0.1","149.99","0.1","","","","","","","","4","P -1","-P 1","2","","nicotinamide_2,4-dihydroxybenzoic acid_MeOH","","- C14 H16 N2 O6 -","- C14 H16 N2 O6 -","- C28 H32 N4 O12 -","2","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0429","0.0393","","","0.1112","0.1139","","","","","","1.045","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574451","5.5588","0.0001","9.9773","0.0003","50.1061","0.0016","90","","92.693","0.002","90","","2775.91","0.13","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-bipyridine_glutaric acid","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C120 H128 N16 O32 -","8","2","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0574","0.044","","","0.1155","0.1242","","","","","","1.07","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574452","8.7799","0.0008","10.0344","0.001","11.9985","0.001","67.885","0.009","77.744","0.007","69.42","0.009","912.91","0.16","150.1","0.1","150.1","0.1","","","","","","","","4","P -1","-P 1","2","","4,4'-bipyridine_orcinol","","- C44 H40 N6 O4 -","- C44 H40 N6 O4 -","- C44 H40 N6 O4 -","1","0.5","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0576","0.0517","","","0.1416","0.1476","","","","","","1.076","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574453","5.2125","0.0002","27.0087","0.001","10.3421","0.0003","90","","102.312","0.003","90","","1422.5","0.09","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","nicotinamide_quinol","","- C15 H15 N4 O3 -","- C15 H15 N4 O3 -","- C60 H60 N16 O12 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0648","0.0553","","","0.1485","0.1551","","","","","","1.036","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574454","8.9136","0.0004","11.3523","0.0005","12.4921","0.0005","90","","98.27","0.004","90","","1250.93","0.09","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-bipyridine_3-hydoxy-2-naphthoic acid","","- C16 H12 N O3 -","- C16 H12 N O3 -","- C64 H48 N4 O12 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0561","0.0448","","","0.1163","0.1249","","","","","","1.069","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574455","7.0215","0.0003","22.3185","0.0008","20.2612","0.0007","90","","92.304","0.003","90","","3172.6","0.2","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","nicotinamide_3,5-dinitrobenzoic acid_MeOH","","- C14 H14 N4 O8 -","- C14 H14 N4 O8 -","- C112 H112 N32 O64 -","8","2","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0581","0.0462","","","0.1319","0.144","","","","","","1.074","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574456","4.4079","0.0001","14.7459","0.0004","15.8719","0.0004","90","","96.239","0.002","90","","1025.54","0.04","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","caffeine_oxalic acid","","- C9 H11 N4 O4 -","- C9 H11 N4 O4 -","- C36 H44 N16 O16 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0414","0.0346","","","0.0909","0.0952","","","","","","1.042","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574457","9.0637","0.0002","29.4253","0.0008","12.6604","0.0004","90","","90","","90","","3376.56","0.16","149.99","0.1","149.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","caffeine_3,5-dinitrobenzoic acid","","- C15 H14 N6 O8 -","- C15 H14 N6 O8 -","- C120 H112 N48 O64 -","8","2","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0669","0.0597","","","0.1455","0.1494","","","","","","1.123","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574458","6.5495","0.0004","10.7984","0.0007","20.6573","0.0013","90","","97.076","0.006","90","","1449.84","0.16","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-bipyridine_2,4-dihydroxybenzoic acid","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C68 H56 N8 O16 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.056","0.0481","","","0.1164","0.1204","","","","","","1.178","","","","has coordinates,has disorder","300556","2025-07-06","13:54:52",""
"1574459","9.5205","0.0002","12.1056","0.0003","16.1549","0.0003","99.092","0.002","97.39","0.002","105.51","0.002","1742.73","0.07","149.99","0.1","149.99","0.1","","","","","","","","4","P -1","-P 1","2","","4,4'-bipyridine_methyl gallate_H2O","","- C18 H19 N2 O6.5 -","- C18 H19 N2 O6.5 -","- C72 H76 N8 O26 -","4","2","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0491","0.0385","","","0.1051","0.1126","","","","","","1.044","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574460","7.244","0.0001","11.3576","0.0002","17.2682","0.0003","90","","97.939","0.002","90","","1407.11","0.04","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","nicotinamide_quinol","","- C15 H15 N4 O3 -","- C15 H15 N4 O3 -","- C60 H60 N16 O12 -","4","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0374","0.0336","","","0.0908","0.0932","","","","","","1.043","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574461","11.3891","0.0004","4.8402","0.0001","15.7088","0.0005","90","","110","0.004","90","","813.73","0.05","150","0.1","150","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","4,4'-bipyridine_thiodipropinoic acid","","- C16 H18 N2 O4 S -","- C16 H18 N2 O4 S -","- C32 H36 N4 O8 S2 -","2","0.5","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0397","0.0353","","","0.0911","0.0943","","","","","","1.071","","","","has coordinates","300556","2025-07-06","13:54:52",""
"1574462","5.4572","0.0002","7.3636","0.0003","15.1899","0.0011","99.538","0.005","94.453","0.004","104.74","0.004","577.54","0.05","150","","150","","","","","","","","","4","P -1","-P 1","2","","nicotinamide_glutaric acid","","- C11 H14 N2 O5 -","- C11 H14 N2 O5 -","- C22 H28 N4 O10 -","2","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0436","0.0392","","","0.1069","0.1096","","","","","","1.047","","","","has coordinates","300556","2025-07-06","13:54:57",""
"1574463","7.8241","0.0004","8.6299","0.0005","9.2154","0.0006","112.063","0.006","109.788","0.006","94.584","0.005","527.1","0.07","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","4,4'-bipyridine_quinol","","- C13 H11 N2 O -","- C13 H11 N2 O -","- C26 H22 N4 O2 -","2","1","","Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.","High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery","Chemical Science","2025","16","22","9843","9853","10.1039/D4SC07556K","","x-ray","1.54184","CuKα","","0.0441","0.04","","","0.1101","0.1137","","","","","","1.079","","","","has coordinates","300556","2025-07-06","13:55:00",""
"1574464","9.6729","0.0005","11.1667","0.0006","25.6156","0.0016","90.315","0.002","92.411","0.002","112.001","0.002","2562.4","0.3","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H52 Dy N5 O11 P2 Se2 -","- C50 H52 Dy N5 O11 P2 Se2 -","- C100 H104 Dy2 N10 O22 P4 Se4 -","2","1","","Ma, Xiu-Fang; Hou, Xin-Lan; Qin, Ye-Hui; Teng, Qian; Bao, Song-Song; Tian, Yu-Xi; Zheng, Li-Min","A thermally and photoresponsive luminescent single-molecule magnet based on dysprosium–anthracene: effect of temperature on anthracene photocycloaddition","Chemical Science","2025","16","23","10340","10348","10.1039/D5SC01302J","","","0.71073","MoKα","","0.0409","0.0363","","","0.0943","0.0974","","","","","","1.0398","","","","has coordinates","300661","2025-07-06","14:43:55",""
"1574465","9.585","0.009","25.97","0.02","11.34","0.012","90","","112.62","0.019","90","","2606","4","300","2","300.15","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C50 H52 Dy N5 O11 P2 Se2 -","- C50 H52 Dy N5 O11 P2 Se2 -","- C100 H104 Dy2 N10 O22 P4 Se4 -","2","0.5","","Ma, Xiu-Fang; Hou, Xin-Lan; Qin, Ye-Hui; Teng, Qian; Bao, Song-Song; Tian, Yu-Xi; Zheng, Li-Min","A thermally and photoresponsive luminescent single-molecule magnet based on dysprosium–anthracene: effect of temperature on anthracene photocycloaddition","Chemical Science","2025","16","23","10340","10348","10.1039/D5SC01302J","","","0.71073","MoKα","","0.1658","0.0859","","","0.1556","0.1919","","","","","","1.115","","","","has coordinates","300661","2025-07-06","14:44:05",""
"1574466","9.7055","0.0012","11.1138","0.0013","25.416","0.003","90.469","0.003","92.518","0.004","112.134","0.003","2536.1","0.5","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H52 Dy N5 O11 P2 Se2 -","- C50 H52 Dy N5 O11 P2 Se2 -","- C100 H104 Dy2 N10 O22 P4 Se4 -","2","1","","Ma, Xiu-Fang; Hou, Xin-Lan; Qin, Ye-Hui; Teng, Qian; Bao, Song-Song; Tian, Yu-Xi; Zheng, Li-Min","A thermally and photoresponsive luminescent single-molecule magnet based on dysprosium–anthracene: effect of temperature on anthracene photocycloaddition","Chemical Science","2025","16","23","10340","10348","10.1039/D5SC01302J","","","0.71073","MoKα","","0.061","0.0582","","","0.1559","0.1582","","","","","","1.142","","","","has coordinates","300661","2025-07-06","14:44:06",""
"1574467","9.7539","0.0012","25.787","0.003","11.2182","0.0014","90","","111.587","0.004","90","","2623.7","0.6","298","","298","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C50 H52 Dy N5 O11 P2 Se2 -","- C50 H52 Dy N5 O11 P2 Se2 -","- C100 H104 Dy2 N10 O22 P4 Se4 -","2","0.5","","Ma, Xiu-Fang; Hou, Xin-Lan; Qin, Ye-Hui; Teng, Qian; Bao, Song-Song; Tian, Yu-Xi; Zheng, Li-Min","A thermally and photoresponsive luminescent single-molecule magnet based on dysprosium–anthracene: effect of temperature on anthracene photocycloaddition","Chemical Science","2025","16","23","10340","10348","10.1039/D5SC01302J","","","0.71073","MoKα","","0.1165","0.068","","","0.1603","0.1927","","","","","","1.036","","","","has coordinates","300661","2025-07-06","14:44:15",""
"1574468","9.5847","0.0012","25.809","0.003","11.2751","0.0013","90","","112.946","0.003","90","","2568.4","0.5","193","","300","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C50 H52 Dy N5 O11 P2 Se2 -","- C50 H52 Dy N5 O11 P2 Se2 -","- C100 H104 Dy2 N10 O22 P4 Se4 -","2","0.5","","Ma, Xiu-Fang; Hou, Xin-Lan; Qin, Ye-Hui; Teng, Qian; Bao, Song-Song; Tian, Yu-Xi; Zheng, Li-Min","A thermally and photoresponsive luminescent single-molecule magnet based on dysprosium–anthracene: effect of temperature on anthracene photocycloaddition","Chemical Science","2025","16","23","10340","10348","10.1039/D5SC01302J","","","0.71073","MoKα","","0.1493","0.0858","","","0.1817","0.2206","","","","","","1.039","","","","has coordinates","300661","2025-07-06","14:44:24",""
"1574469","5.8735","0.0011","17.634","0.003","17.716","0.003","90","","95.82","0.006","90","","1825.4","0.6","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 D2 N O4 -","- C20 H19 D2 N O4 -","- C80 H76 D8 N4 O16 -","4","1","","Wu, Yuanqing; Peng, Chuxiong; Zhan, Qichen; Lou, Xudong; Liu, Shijie; Lin, Xiaofeng; Han, Yulin; Cao, Peng; Cao, Tao","Towards trans-dual deuterated cyclopropanes via photoredox synergistic deuteration with D2O","Chemical Science","2025","16","21","9535","9542","10.1039/D5SC00350D","","","0.71073","MoKα","","0.1086","0.0567","","","0.1141","0.1369","","","","","","1.037","","","","has coordinates","300670","2025-07-06","14:47:12",""
"1574470","11.9108","0.0009","11.9108","0.0009","11.9108","0.0009","90","","90","","90","","1689.8","0.2","388.01","0.1","388.01","0.1","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C20 H32.03 Fe2 K2 N16 O4 -","- C20.0064 H32.0256 Fe2 K2 N16.0032 O4.0032 -","- C40.0128 H64.0512 Fe4 K4 N32.0064 O8.0064 -","2","0.0104167","","Lv, Hui-Peng; Hu, Sheng-Qian; Bai, Yong-Ju; Zhou, Jun-Si; Ji, Luan-Ying; Wang, Zhong-Xia; Ai, Yong; Qin, Yan; Chen, Xiao-Gang","Giant mechanical tunability by a coordination bond strategy in a 3D hybrid cyanide double perovskite ferroelastic with reconstructive phase transition","Chemical Science","2025","16","21","9109","9116","10.1039/D5SC00620A","","x-ray","0.71073","MoKα","","0.0662","0.0539","","","0.1519","0.1666","","","","","","1.077","","","","has coordinates,has disorder","300664","2025-07-06","14:45:54",""
"1574471","11.8245","0.0002","11.7157","0.0003","11.9825","0.0002","90","","91.798","0.002","90","","1659.15","0.06","368","2","368","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 Fe K N8 O2 -","- C10 H16 Fe K N8 O2 -","- C40 H64 Fe4 K4 N32 O8 -","4","1","","Lv, Hui-Peng; Hu, Sheng-Qian; Bai, Yong-Ju; Zhou, Jun-Si; Ji, Luan-Ying; Wang, Zhong-Xia; Ai, Yong; Qin, Yan; Chen, Xiao-Gang","Giant mechanical tunability by a coordination bond strategy in a 3D hybrid cyanide double perovskite ferroelastic with reconstructive phase transition","Chemical Science","2025","16","21","9109","9116","10.1039/D5SC00620A","","","1.54184","CuKα","","0.0739","0.0532","","","0.1539","0.1688","","","","","","1.067","","","","has coordinates,has disorder","300664","2025-07-06","14:45:54",""
"1574472","9.1365","0.0001","11.702","0.0002","15.6616","0.0002","90","","102.667","0.001","90","","1633.71","0.04","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 Fe K N8 O2 -","- C10 H16 Fe K N8 O2 -","- C40 H64 Fe4 K4 N32 O8 -","4","1","","Lv, Hui-Peng; Hu, Sheng-Qian; Bai, Yong-Ju; Zhou, Jun-Si; Ji, Luan-Ying; Wang, Zhong-Xia; Ai, Yong; Qin, Yan; Chen, Xiao-Gang","Giant mechanical tunability by a coordination bond strategy in a 3D hybrid cyanide double perovskite ferroelastic with reconstructive phase transition","Chemical Science","2025","16","21","9109","9116","10.1039/D5SC00620A","","","1.54184","CuKα","","0.0485","0.0431","","","0.1137","0.1178","","","","","","1.048","","","","has coordinates","300664","2025-07-06","14:45:54",""
"1574473","11.7784","0.0005","11.6709","0.0004","11.9663","0.0005","90","","92.024","0.003","90","","1643.92","0.11","300","0.1","300","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 Fe K N8 O2 -","- C10 H16 Fe K N8 O2 -","- C40 H64 Fe4 K4 N32 O8 -","4","1","","Lv, Hui-Peng; Hu, Sheng-Qian; Bai, Yong-Ju; Zhou, Jun-Si; Ji, Luan-Ying; Wang, Zhong-Xia; Ai, Yong; Qin, Yan; Chen, Xiao-Gang","Giant mechanical tunability by a coordination bond strategy in a 3D hybrid cyanide double perovskite ferroelastic with reconstructive phase transition","Chemical Science","2025","16","21","9109","9116","10.1039/D5SC00620A","","x-ray","0.71073","MoKα","","0.0587","0.0456","","","0.1116","0.1198","","","","","","1.082","","","","has coordinates,has disorder","300664","2025-07-06","14:45:54",""
"1574474","11.6613","0.0004","11.5994","0.0004","11.9561","0.0004","90","","92.675","0.003","90","","1615.47","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 Fe K N8 O2 -","- C10 H16 Fe K N8 O2 -","- C40 H64 Fe4 K4 N32 O8 -","4","1","","Lv, Hui-Peng; Hu, Sheng-Qian; Bai, Yong-Ju; Zhou, Jun-Si; Ji, Luan-Ying; Wang, Zhong-Xia; Ai, Yong; Qin, Yan; Chen, Xiao-Gang","Giant mechanical tunability by a coordination bond strategy in a 3D hybrid cyanide double perovskite ferroelastic with reconstructive phase transition","Chemical Science","2025","16","21","9109","9116","10.1039/D5SC00620A","","x-ray","0.71073","MoKα","","0.0472","0.0379","","","0.0997","0.1047","","","","","","1.096","","","","has coordinates","300664","2025-07-06","14:45:54",""
"1574475","32.9135","0.0003","34.9741","0.0002","51.0599","0.0004","90","","90","","90","","58776.1","0.8","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C320 H248 N16 O136 P10 Si4 W40 -","- C320 H248 N16 O136 P10 Si4 W40 -","- C1280 H992 N64 O544 P40 Si16 W160 -","4","0.5","","Yamaguchi, Masahiro; Yonesato, Kentaro; Shioya, Kaito; Li, Chifeng; Murata, Kei; Ishii, Kazuyuki; Yamaguchi, Kazuya; Suzuki, Kosuke","Engineering cofacial porphyrin dimers using lacunary polyoxotungstates","Chemical Science","2025","16","21","9178","9185","10.1039/D5SC00814J","","x-ray","0.4124","synchrotron","","0.1008","0.0824","","","0.2045","0.2181","","","","","","1.064","","","","has coordinates,has disorder","300662","2025-07-06","14:45:01",""
"1574476","28.75606","0.00013","31.5544","0.0002","34.30222","0.00019","66.2043","0.0006","85.0443","0.0004","69.9358","0.0005","26701.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H68 N20 O124 Si4 W36 -","- C100 H68 N20 O124 Si4 W36 -","- C200 H136 N40 O248 Si8 W72 -","2","1","","Yamaguchi, Masahiro; Yonesato, Kentaro; Shioya, Kaito; Li, Chifeng; Murata, Kei; Ishii, Kazuyuki; Yamaguchi, Kazuya; Suzuki, Kosuke","Engineering cofacial porphyrin dimers using lacunary polyoxotungstates","Chemical Science","2025","16","21","9178","9185","10.1039/D5SC00814J","","x-ray","0.4132","synchrotron","","0.0412","0.0365","","","0.1029","0.1054","","","","","","1.079","","","","has coordinates","300662","2025-07-06","14:45:01",""
"1574477","12.7494","0.0005","13.2904","0.0006","13.4525","0.0005","107.357","0.001","101.738","0.001","118.165","0.001","1750.18","0.13","150","2","150","","","","","","","","","6","P -1","-P 1","2","","SIFSIX-bidmb-Cu","","- C28 H28 Cu F6 N8 Si -","- C28 H28 Cu F6 N8 Si -","- C56 H56 Cu2 F12 N16 Si2 -","2","1","","Song, Bai-Qiao; Gao, Mei-Yan; Mercene van Wyk, Lisa; Deng, Cheng-Hua; Eaby, Alan C.; Wang, Shi-Qiang; Darwish, Shaza; Li, Dan; Qin, Shao-Jie; Peng, Yun-Lei; Yang, Qing-Yuan; Barbour, Leonard J.; Zaworotko, Michael J.","A new type of C2H2 binding site in a cis-bridging hexafluorosilicate ultramicroporous material that offers trace C2H2 capture","Chemical Science","2025","16","20","9010","9019","10.1039/D5SC00697J","","","0.71073","MoKα","","0.0333","0.0276","","","0.0682","0.0709","","","","","","1.042","","","","has coordinates","300627","2025-07-06","14:28:06",""
"1574478","12.5516","0.0007","13.1903","0.0007","13.4732","0.0007","61.077","0.003","77.461","0.003","62.358","0.003","1729.48","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","SIFSIX-bidmb-Cu_act","","","- C28 H28 Cu F6 N8 Si -","- C28.336 H28.123 Cu F6 N8.096 Si -","- C56.672 H56.246 Cu2 F12 N16.192 Si2 -","2","1","","Song, Bai-Qiao; Gao, Mei-Yan; Mercene van Wyk, Lisa; Deng, Cheng-Hua; Eaby, Alan C.; Wang, Shi-Qiang; Darwish, Shaza; Li, Dan; Qin, Shao-Jie; Peng, Yun-Lei; Yang, Qing-Yuan; Barbour, Leonard J.; Zaworotko, Michael J.","A new type of C2H2 binding site in a cis-bridging hexafluorosilicate ultramicroporous material that offers trace C2H2 capture","Chemical Science","2025","16","20","9010","9019","10.1039/D5SC00697J","","","0.71073","MoKα","","0.0707","0.0474","","","0.1232","0.1378","","","","","","1.054","","","","has coordinates,has disorder","300627","2025-07-06","14:28:07",""
"1574479","12.5344","0.0002","13.1083","0.0003","13.456","0.0003","60.939","0.002","77.661","0.002","62.396","0.002","1712.38","0.08","99.98","0.1","99.98","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C31 H29 Cu F6 N8 Si -","- C31 H29 Cu F6 N8 Si -","- C62 H58 Cu2 F12 N16 Si2 -","2","1","","Song, Bai-Qiao; Gao, Mei-Yan; Mercene van Wyk, Lisa; Deng, Cheng-Hua; Eaby, Alan C.; Wang, Shi-Qiang; Darwish, Shaza; Li, Dan; Qin, Shao-Jie; Peng, Yun-Lei; Yang, Qing-Yuan; Barbour, Leonard J.; Zaworotko, Michael J.","A new type of C2H2 binding site in a cis-bridging hexafluorosilicate ultramicroporous material that offers trace C2H2 capture","Chemical Science","2025","16","20","9010","9019","10.1039/D5SC00697J","","x-ray","1.54184","CuKα","","0.0491","0.0459","","","0.1236","0.1259","","","","","","1.066","","","","has coordinates","300627","2025-07-06","14:28:07",""
"1574480","12.9047","0.0004","13.317","0.0004","13.4147","0.0004","107.942","0.001","101.071","0.001","118.191","0.001","1769.51","0.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","C2H2@SIFSIX-bidmb-Cu_act_in-situ","","","- C28 H28 Cu F6 N8 Si -","- C28 H28 Cu F6 N8 Si -","- C56 H56 Cu2 F12 N16 Si2 -","2","1","","Song, Bai-Qiao; Gao, Mei-Yan; Mercene van Wyk, Lisa; Deng, Cheng-Hua; Eaby, Alan C.; Wang, Shi-Qiang; Darwish, Shaza; Li, Dan; Qin, Shao-Jie; Peng, Yun-Lei; Yang, Qing-Yuan; Barbour, Leonard J.; Zaworotko, Michael J.","A new type of C2H2 binding site in a cis-bridging hexafluorosilicate ultramicroporous material that offers trace C2H2 capture","Chemical Science","2025","16","20","9010","9019","10.1039/D5SC00697J","","","0.71073","MoKα","","0.0581","0.038","","","0.0825","0.0897","","","","","","1.016","","","","has coordinates","300627","2025-07-06","14:28:07",""
"1574481","12.5027","0.0002","13.1215","0.0002","13.376","0.0002","61.138","0.002","77.684","0.001","62.477","0.002","1704.18","0.06","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 Cu F6 N8 Si -","- C28 H26 Cu F6 N8 Si -","- C56 H52 Cu2 F12 N16 Si2 -","2","1","","Song, Bai-Qiao; Gao, Mei-Yan; Mercene van Wyk, Lisa; Deng, Cheng-Hua; Eaby, Alan C.; Wang, Shi-Qiang; Darwish, Shaza; Li, Dan; Qin, Shao-Jie; Peng, Yun-Lei; Yang, Qing-Yuan; Barbour, Leonard J.; Zaworotko, Michael J.","A new type of C2H2 binding site in a cis-bridging hexafluorosilicate ultramicroporous material that offers trace C2H2 capture","Chemical Science","2025","16","20","9010","9019","10.1039/D5SC00697J","","x-ray","1.54184","CuKα","","0.0428","0.0416","","","0.1069","0.1078","","","","","","1.046","","","","has coordinates,has disorder","300627","2025-07-06","14:28:07",""
"1574482","12.7993","0.0004","13.3073","0.0005","13.4067","0.0005","107.373","0.002","101.567","0.002","118.29","0.002","1752.9","0.13","298","2","298","2","","","","","","","","6","P -1","-P 1","2","C2H4@SIFSIX-bidmb-Cu_act_in-situ","","","- C28 H28 Cu F6 N8 Si -","- C28 H28 Cu F6 N8 Si -","- C56 H56 Cu2 F12 N16 Si2 -","2","1","","Song, Bai-Qiao; Gao, Mei-Yan; Mercene van Wyk, Lisa; Deng, Cheng-Hua; Eaby, Alan C.; Wang, Shi-Qiang; Darwish, Shaza; Li, Dan; Qin, Shao-Jie; Peng, Yun-Lei; Yang, Qing-Yuan; Barbour, Leonard J.; Zaworotko, Michael J.","A new type of C2H2 binding site in a cis-bridging hexafluorosilicate ultramicroporous material that offers trace C2H2 capture","Chemical Science","2025","16","20","9010","9019","10.1039/D5SC00697J","","","0.71073","MoKα","","0.0691","0.0443","","","0.1043","0.115","","","","","","1.034","","","","has coordinates","300627","2025-07-06","14:28:07",""
"1574483","12.6837","0.0005","13.3315","0.0009","13.4082","0.0005","107.043","0.003","101.918","0.002","118.388","0.003","1738.32","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","CO2@SIFSIX-bidmb-Cu_act_in-situ","","","- C28 H28 Cu F6 N8 Si -","- C28.1302 H28.1302 Cu F6 N8.0372 Si -","- C56.2604 H56.2604 Cu2 F12 N16.0744 Si2 -","2","1","","Song, Bai-Qiao; Gao, Mei-Yan; Mercene van Wyk, Lisa; Deng, Cheng-Hua; Eaby, Alan C.; Wang, Shi-Qiang; Darwish, Shaza; Li, Dan; Qin, Shao-Jie; Peng, Yun-Lei; Yang, Qing-Yuan; Barbour, Leonard J.; Zaworotko, Michael J.","A new type of C2H2 binding site in a cis-bridging hexafluorosilicate ultramicroporous material that offers trace C2H2 capture","Chemical Science","2025","16","20","9010","9019","10.1039/D5SC00697J","","","0.71073","MoKα","","0.0999","0.0604","","","0.1215","0.1362","","","","","","1.045","","","","has coordinates,has disorder","300627","2025-07-06","14:28:07",""
"1574484","9.7465","0.0001","10.1714","0.0001","21.346","0.0002","89.847","0.001","85.104","0.001","75.293","0.001","2038.95","0.04","101","2","101","2","","","","","","","","4","P -1","-P 1","2","","Phen-Tpa","","- C110 H92 N8 O4.5 -","- C110 H90.588 N8 O5.168 -","- C110 H90.588 N8 O5.168 -","1","0.5","","Cai, Xian-Bao; Liang, Dong; Zhang, Deng-Chao; Jia, Ji-Hui; Wu, Xiao-Yuan; Lu, Can-Zhong","Achieving dual emission of thermally activated delayed fluorescence and ultralong room-temperature phosphorescence by controlling excited state dynamics through metal coordination","Chemical Science","2025","16","22","9802","9808","10.1039/D5SC00555H","","x-ray","1.3405","micro-focusmetaljet","","0.0408","0.0376","","","0.093","0.0957","","","","","","1.029","","","","has coordinates","300560","2025-07-06","13:57:26",""
"1574485","12.9145","0.0002","15.9498","0.0002","19.2708","0.0004","77.098","0.001","81.031","0.002","77.688","0.001","3755.75","0.11","100","0.1","100","0.1","","","","","","","","8","P -1","-P 1","2","","Ag+DTPA","","- C94 H74 Ag B F4 N4 O P2 -","- C94 H74 Ag B F4 N4 O P2 -","- C188 H148 Ag2 B2 F8 N8 O2 P4 -","2","1","","Cai, Xian-Bao; Liang, Dong; Zhang, Deng-Chao; Jia, Ji-Hui; Wu, Xiao-Yuan; Lu, Can-Zhong","Achieving dual emission of thermally activated delayed fluorescence and ultralong room-temperature phosphorescence by controlling excited state dynamics through metal coordination","Chemical Science","2025","16","22","9802","9808","10.1039/D5SC00555H","","x-ray","1.3405","GaKα","","0.0433","0.0339","","","0.0824","0.0852","","","","","","1.044","","","","has coordinates","300560","2025-07-06","13:57:35",""
"1574486","11.056","0.0003","12.0361","0.0002","12.1017","0.0003","105.769","0.002","104.054","0.002","116.448","0.002","1257.78","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H34 Cl10 F12 Sb2 -","- C47 H34 Cl10 F12 Sb2 -","- C47 H34 Cl10 F12 Sb2 -","1","0.5","","Kai, Nobushige; Kono, Hideya; Stünkel, Timo; Imoto, Daiki; Zanasi, Riccardo; Monaco, Guglielmo; Summa, Francesco F.; Scott, Lawrence T.; Yagi, Akiko; Itami, Kenichiro","Stable cationic nanobelts synthesized by chemical oxidation of methylene-bridged [6]cycloparaphenylene","Chemical Science","2025","16","21","9195","9202","10.1039/D5SC01305D","","x-ray","0.71073","MoKα","","0.029","0.0259","","","0.0629","0.0639","","","","","","1.04","","","","has coordinates,has disorder","300669","2025-07-06","14:47:04",""
"1574487","10.2082","0.0011","10.3206","0.0009","10.8736","0.0009","95.963","0.007","114.424","0.01","96.569","0.008","1021.64","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H24 B10 O -","- C17 H24 B10 O -","- C34 H48 B20 O2 -","2","1","","Cao, Hou-Ji; Li, Jia-Xin; Yan, Jia-Hui; Liu, Miao-Xin; Zhao, Qianyi; Zhang, Jie; Zhang, Ju; Yan, Hong","Post-coordination of Ru(ii) controlled regioselective B(4)–H acylmethylation of o-carboranes with sulfoxonium ylides","Chemical Science","2025","16","21","9406","9412","10.1039/D5SC01576F","","x-ray","1.54184","CuKα","","0.0952","0.0701","","","0.2045","0.2243","","","","","","1.104","","","","has coordinates","300668","2025-07-06","14:46:48",""
"1574488","20.4669","0.0002","12.00586","0.00015","28.6857","0.0003","90","","90","","90","","7048.73","0.13","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H38 B20 O5 Ru -","- C24 H38 B20 O5 Ru -","- C192 H304 B160 O40 Ru8 -","8","1","","Cao, Hou-Ji; Li, Jia-Xin; Yan, Jia-Hui; Liu, Miao-Xin; Zhao, Qianyi; Zhang, Jie; Zhang, Ju; Yan, Hong","Post-coordination of Ru(ii) controlled regioselective B(4)–H acylmethylation of o-carboranes with sulfoxonium ylides","Chemical Science","2025","16","21","9406","9412","10.1039/D5SC01576F","","x-ray","1.54184","CuKα","","0.0683","0.0527","","","0.1459","0.1612","","","","","","1.027","","","","has coordinates","300668","2025-07-06","14:46:48",""
"1574489","10.0973","0.0004","10.5194","0.0003","10.8504","0.0005","103.664","0.003","111.893","0.004","96.953","0.003","1010.78","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H21 B10 N O3 -","- C16 H21 B10 N O3 -","- C32 H42 B20 N2 O6 -","2","1","","Cao, Hou-Ji; Li, Jia-Xin; Yan, Jia-Hui; Liu, Miao-Xin; Zhao, Qianyi; Zhang, Jie; Zhang, Ju; Yan, Hong","Post-coordination of Ru(ii) controlled regioselective B(4)–H acylmethylation of o-carboranes with sulfoxonium ylides","Chemical Science","2025","16","21","9406","9412","10.1039/D5SC01576F","","x-ray","1.54184","CuKα","","0.0709","0.0629","","","0.1732","0.1813","","","","","","1.074","","","","has coordinates","300668","2025-07-06","14:46:48",""
"1574490","10.5191","0.0002","10.8321","0.0003","18.0396","0.0004","90","","98.262","0.002","90","","2034.17","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 B10 Br O -","- C16 H21 B10 Br O -","- C64 H84 B40 Br4 O4 -","4","1","","Cao, Hou-Ji; Li, Jia-Xin; Yan, Jia-Hui; Liu, Miao-Xin; Zhao, Qianyi; Zhang, Jie; Zhang, Ju; Yan, Hong","Post-coordination of Ru(ii) controlled regioselective B(4)–H acylmethylation of o-carboranes with sulfoxonium ylides","Chemical Science","2025","16","21","9406","9412","10.1039/D5SC01576F","","x-ray","1.54184","CuKα","","0.0529","0.0465","","","0.1255","0.1326","","","","","","1.032","","","","has coordinates","300668","2025-07-06","14:46:48",""
"1574491","30.145","0.003","15.0646","0.0013","21.593","0.003","90","","132.881","0.002","90","","7185.4","1.4","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 N2 Si -","- C20 H22 N2 Si -","- C320 H352 N32 Si16 -","16","2","","Saadi, Lamine; Valade, Loïc; Chauvier, Clément","Catalytic alkoxysilylation of C–H bonds with tert-butyl-substituted alkoxysilyldiazenes","Chemical Science","2025","16","22","9794","9801","10.1039/D5SC02059J","","x-ray","0.71073","MoKα","","0.1159","0.0509","","","0.1154","0.144","","","","","","0.922","","","","has coordinates","300558","2025-07-06","13:56:27",""
"1574492","6.8159","0.0008","10.7178","0.0011","12.2818","0.0013","78.849","0.004","85.474","0.004","86.837","0.004","876.79","0.17","200","1","200","1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H23 F O Si -","- C18 H23 F O Si -","- C36 H46 F2 O2 Si2 -","2","1","","Saadi, Lamine; Valade, Loïc; Chauvier, Clément","Catalytic alkoxysilylation of C–H bonds with tert-butyl-substituted alkoxysilyldiazenes","Chemical Science","2025","16","22","9794","9801","10.1039/D5SC02059J","","","0.71073","MoKα","","0.1321","0.0765","","","0.1256","0.1436","","","","","","1.033","","","","has coordinates","300558","2025-07-06","13:56:28",""
"1574493","10.7944","0.0004","14.744","0.0006","17.168","0.0007","90","","108.135","0.001","90","","2596.61","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 Cl4 N4 P3 -","- C20 H31 Cl4 N4 P3 -","- C80 H124 Cl16 N16 P12 -","4","1","","LaPierre, Etienne A.; Suvinen, Roope A.; Patrick, Brian O.; Tuononen, Heikki M.; Manners, Ian","Multi-site reduction of hexachlorophosphazene to low-valent PN heterocycles and extension to the reduction of poly-chlorophosphazene","Chemical Science","2025","16","22","9820","9832","10.1039/D4SC07559E","","","0.71073","MoKα","","0.0399","0.0277","","","0.0665","0.0715","","","","","","1.022","","","","has coordinates","300551","2025-07-06","13:49:21",""
"1574494","12.298","0.003","14.467","0.004","15.947","0.004","90","","101.842","0.003","90","","2776.8","1.2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H31 Cl4 N4 P3 Se -","- C20 H31 Cl4 N4 P3 Se -","- C80 H124 Cl16 N16 P12 Se4 -","4","1","","LaPierre, Etienne A.; Suvinen, Roope A.; Patrick, Brian O.; Tuononen, Heikki M.; Manners, Ian","Multi-site reduction of hexachlorophosphazene to low-valent PN heterocycles and extension to the reduction of poly-chlorophosphazene","Chemical Science","2025","16","22","9820","9832","10.1039/D4SC07559E","","","0.71073","MoKα","","0.0445","0.0356","","","0.0751","0.0783","","","","","","1.027","","","","has coordinates","300551","2025-07-06","13:49:33",""
"1574495","8.9486","0.0002","16.9933","0.0005","18.8866","0.0005","90","","90.791","0.002","90","","2871.74","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 Au Cl5 N4 P3 -","- C20 H31 Au Cl5 N4 P3 -","- C80 H124 Au4 Cl20 N16 P12 -","4","1","","LaPierre, Etienne A.; Suvinen, Roope A.; Patrick, Brian O.; Tuononen, Heikki M.; Manners, Ian","Multi-site reduction of hexachlorophosphazene to low-valent PN heterocycles and extension to the reduction of poly-chlorophosphazene","Chemical Science","2025","16","22","9820","9832","10.1039/D4SC07559E","","","0.71073","MoKα","","0.0333","0.0239","","","0.0524","0.0554","","","","","","1.036","","","","has coordinates","300551","2025-07-06","13:49:43",""
"1574496","12.3147","0.0008","14.3846","0.0009","15.9115","0.001","90","","101.938","0.002","90","","2757.6","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H31 Cl4 N4 P3 S -","- C20 H31 Cl4 N4 P3 S -","- C80 H124 Cl16 N16 P12 S4 -","4","1","","LaPierre, Etienne A.; Suvinen, Roope A.; Patrick, Brian O.; Tuononen, Heikki M.; Manners, Ian","Multi-site reduction of hexachlorophosphazene to low-valent PN heterocycles and extension to the reduction of poly-chlorophosphazene","Chemical Science","2025","16","22","9820","9832","10.1039/D4SC07559E","","","0.71073","Mokα","","0.0208","0.0195","","","0.0467","0.0474","","","","","","1.03","","","","has coordinates","300551","2025-07-06","13:49:52",""
"1574497","9.5514","0.0002","14.4875","0.0004","16.241","0.0004","93.285","0.001","93.598","0.001","109.054","0.001","2112.83","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H62 Cl2 N5 P3 -","- C40 H62 Cl2 N5 P3 -","- C80 H124 Cl4 N10 P6 -","2","1","","LaPierre, Etienne A.; Suvinen, Roope A.; Patrick, Brian O.; Tuononen, Heikki M.; Manners, Ian","Multi-site reduction of hexachlorophosphazene to low-valent PN heterocycles and extension to the reduction of poly-chlorophosphazene","Chemical Science","2025","16","22","9820","9832","10.1039/D4SC07559E","","","0.71073","MoKα","","0.0743","0.0409","","","0.0833","0.0937","","","","","","1.007","","","","has coordinates","300551","2025-07-06","13:50:02",""
"1574498","20.7075","0.0017","16.7414","0.0014","21.1042","0.0018","90","","90","","90","","7316.2","1.1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H46 Cl5 N4 P3 Ru -","- C30 H46 Cl5 N4 P3 Ru -","- C240 H368 Cl40 N32 P24 Ru8 -","8","1","","LaPierre, Etienne A.; Suvinen, Roope A.; Patrick, Brian O.; Tuononen, Heikki M.; Manners, Ian","Multi-site reduction of hexachlorophosphazene to low-valent PN heterocycles and extension to the reduction of poly-chlorophosphazene","Chemical Science","2025","16","22","9820","9832","10.1039/D4SC07559E","","","0.71073","Mokα","","0.0386","0.0273","","","0.0598","0.0654","","","","","","1.044","","","","has coordinates","300551","2025-07-06","13:50:08",""
"1574499","11.5068","0.0011","15.2965","0.0015","16.8157","0.0016","115.819","0.003","91.208","0.003","106.688","0.003","2515.2","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H61 Cl4 N4 P3 Ru2 -","- C40 H61 Cl4 N4 P3 Ru2 -","- C80 H122 Cl8 N8 P6 Ru4 -","2","1","","LaPierre, Etienne A.; Suvinen, Roope A.; Patrick, Brian O.; Tuononen, Heikki M.; Manners, Ian","Multi-site reduction of hexachlorophosphazene to low-valent PN heterocycles and extension to the reduction of poly-chlorophosphazene","Chemical Science","2025","16","22","9820","9832","10.1039/D4SC07559E","","","0.71073","Mokα","","0.0653","0.0351","","","0.068","0.0768","","","","","","1.004","","","","has coordinates","300551","2025-07-06","13:50:17",""
"1574500","22.017","0.003","14.1311","0.0018","20.335","0.003","90","","117.405","0.0017","90","","5616.7","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 Cl N Ru -","- C30 H46 Cl N Ru -","- C240 H368 Cl8 N8 Ru8 -","8","2","","LaPierre, Etienne A.; Suvinen, Roope A.; Patrick, Brian O.; Tuononen, Heikki M.; Manners, Ian","Multi-site reduction of hexachlorophosphazene to low-valent PN heterocycles and extension to the reduction of poly-chlorophosphazene","Chemical Science","2025","16","22","9820","9832","10.1039/D4SC07559E","","","0.71073","Mokα","","0.0444","0.0296","","","0.0559","0.0614","","","","","","1.039","","","","has coordinates","300551","2025-07-06","13:50:19",""
"1574501","17.9105","0.0007","9.9902","0.0004","25.0966","0.001","90","","100.54","0.002","90","","4414.8","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H62 Cl2 N5 P3 Se2 -","- C40 H62 Cl2 N5 P3 Se2 -","- C160 H248 Cl8 N20 P12 Se8 -","4","0.5","","LaPierre, Etienne A.; Suvinen, Roope A.; Patrick, Brian O.; Tuononen, Heikki M.; Manners, Ian","Multi-site reduction of hexachlorophosphazene to low-valent PN heterocycles and extension to the reduction of poly-chlorophosphazene","Chemical Science","2025","16","22","9820","9832","10.1039/D4SC07559E","","","0.71073","MoKα","","0.0675","0.0399","","","0.0807","0.0892","","","","","","1.019","","","","has coordinates","300551","2025-07-06","13:50:27",""
"1574502","6.3548","0.001","7.1946","0.0012","19.21","0.003","90","","91.006","0.006","90","","878.2","0.2","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 -","- C22 H22 N2 -","- C44 H44 N4 -","2","0.5","","Uva, Azalea; Kim, Yaejin; Michailovich, Sofia; Hsu, Nathan S. Y.; Bain, David C.; Huang, Shine H.; Musser, Andrew J.; Tran, Helen","Impact of imine bonds on the electronic properties of degradable carotenoid-based conjugated polymers","Polymer Chemistry","2025","16","24","2817","2828","10.1039/D5PY00235D","","","0.71073","MoKα","","0.0425","0.039","","","0.1092","0.1128","","","","","","1.082","","","","has coordinates","301186","2025-07-06","18:02:35",""
"1574505","8.2351","0.0001","12.2203","0.0001","24.1907","0.0002","90","","90","","90","","2434.44","0.04","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H15 B N2 O Si -","- C10 H15 B N2 O Si -","- C80 H120 B8 N16 O8 Si8 -","8","1","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0297","0.029","","","0.0801","0.0807","","","","","","1.055","","","","has coordinates","300554","2025-07-06","13:52:58",""
"1574506","12.7968","0.0003","5.9025","0.0002","17.2316","0.0004","90","","103.002","0.002","90","","1268.19","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 B N2 O3 -","- C12 H15 B N2 O3 -","- C48 H60 B4 N8 O12 -","4","1","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.049","0.0403","","","0.105","0.1102","","","","","","1.041","","","","has coordinates","300554","2025-07-06","13:53:00",""
"1574507","8.3573","0.0002","10.356","0.0003","17.9111","0.0005","90","","94.531","0.002","90","","1545.33","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 B N2 -","- C18 H21 B N2 -","- C72 H84 B4 N8 -","4","1","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0689","0.0582","","","0.1651","0.1731","","","","","","1.071","","","","has coordinates","300554","2025-07-06","13:53:08",""
"1574508","11.843","0.002","19.898","0.004","12.41","0.003","90","","107.45","0.02","90","","2789.9","1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C59 H70 Ag3 B3 N6 O2 -","- C59 H70 Ag3 B3 N6 O2 -","- C118 H140 Ag6 B6 N12 O4 -","2","1","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0641","0.0631","","","0.1705","0.1719","","","","","","1.039","","","","has coordinates","300554","2025-07-06","13:53:10",""
"1574509","7.6003","0.0002","7.2677","0.0002","12.3523","0.0003","90","","96.378","0.002","90","","678.08","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 B N2 O -","- C7 H7 B N2 O -","- C28 H28 B4 N8 O4 -","4","1","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0418","0.0362","","","0.0935","0.0968","","","","","","1.038","","","","has coordinates","300554","2025-07-06","13:53:18",""
"1574510","18.1164","0.0002","12.6662","0.0001","17.0662","0.0002","90","","118.098","0.001","90","","3454.57","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H41 B3 Li N7 O3 -","- C35 H41 B3 Li N7 O3 -","- C140 H164 B12 Li4 N28 O12 -","4","1","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0699","0.0588","","","0.1584","0.1682","","","","","","1.058","","","","has coordinates,has disorder","300554","2025-07-06","13:53:20",""
"1574511","13.2068","0.0002","15.3061","0.0002","14.4664","0.0002","90","","106.609","0.001","90","","2802.3","0.07","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C52 H43 B6 K4 N17 O2 -","- C52 H43 B6 K4 N17 O2 -","- C104 H86 B12 K8 N34 O4 -","2","0.5","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0611","0.0554","","","0.1583","0.1638","","","","","","1.046","","","","has coordinates,has disorder","300554","2025-07-06","13:53:29",""
"1574512","12.2579","0.0001","14.7917","0.0002","14.9932","0.0003","119.224","0.002","97.468","0.001","92.874","0.001","2332","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 B N2 -","- C17 H19 B N2 -","- C102 H114 B6 N12 -","6","3","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0716","0.0606","","","0.1838","0.1973","","","","","","1.046","","","","has coordinates","300554","2025-07-06","13:53:30",""
"1574513","6.7806","0.0002","19.1991","0.0007","22.5503","0.0006","83.564","0.003","85.956","0.002","83.743","0.002","2894.7","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H27 B N2 Si -","- C20 H27 B N2 Si -","- C120 H162 B6 N12 Si6 -","6","3","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0817","0.0635","","","0.1667","0.1775","","","","","","1.073","","","","has coordinates","300554","2025-07-06","13:53:39",""
"1574514","12.05","0.005","14.853","0.007","15.153","0.007","82.33","0.04","87.07","0.04","83.93","0.03","2671","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H63 Au3 B3 N6 -","- C60 H63 Au3 B3 N6 -","- C120 H126 Au6 B6 N12 -","2","1","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0328","0.0295","","","0.0735","0.0755","","","","","","0.95","","","","has coordinates,has disorder","300554","2025-07-06","13:53:39",""
"1574515","15.0166","0.0002","16.5087","0.0003","19.7579","0.0004","70.547","0.002","74.162","0.002","76.507","0.002","4388.02","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H112 B4 Br2 Mg4 N8 O3 -","- C86 H112 B4 Br2 Mg4 N8 O3 -","- C172 H224 B8 Br4 Mg8 N16 O6 -","2","1","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0977","0.0787","","","0.222","0.2354","","","","","","1.088","","","","has coordinates,has disorder","300554","2025-07-06","13:53:39",""
"1574516","12.1298","0.0001","14.725","0.0002","19.7956","0.0002","89.493","0.001","81.215","0.001","81.463","0.001","3455.18","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H68 B2 Li2 N4 O4 -","- C50 H68 B2 Li2 N4 O4 -","- C150 H204 B6 Li6 N12 O12 -","3","1.5","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.087","0.0768","","","0.2162","0.2279","","","","","","1.034","","","","has coordinates,has disorder","300554","2025-07-06","13:53:39",""
"1574517","14.941","0.0001","18.7016","0.0001","20.4482","0.0001","90","","110.607","0.001","90","","5348.07","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H62 B4 N4 O4 -","- C64 H62 B4 N4 O4 -","- C256 H248 B16 N16 O16 -","4","1","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.045","0.0379","","","0.0947","0.0996","","","","","","1.044","","","","has coordinates","300554","2025-07-06","13:53:39",""
"1574518","22.5318","0.0001","22.5318","0.0001","24.2167","0.0001","90","","90","","90","","12294.4","0.09","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C68 H72 B4 N8 Na4 -","- C68 H72 B4 N8 Na4 -","- C544 H576 B32 N64 Na32 -","8","1","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0379","0.0329","","","0.0892","0.0972","","","","","","1.076","","","","has coordinates","300554","2025-07-06","13:53:39",""
"1574519","13.503","0.0002","14.233","0.0002","21.0535","0.0002","83.073","0.001","73.678","0.001","66.26","0.001","3554.45","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C79 H90 B4 Li4 N8 -","- C79 H90 B4 Li4 N8 -","- C158 H180 B8 Li8 N16 -","2","1","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0671","0.0531","","","0.1497","0.1604","","","","","","1.064","","","","has coordinates","300554","2025-07-06","13:53:39",""
"1574520","22.279","","22.279","","25.8166","0.0001","90","","90","","90","","12814.2","0.05","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C68 H72 B4 K4 N8 -","- C68 H72 B4 K4 N8 -","- C544 H576 B32 K32 N64 -","8","1","","Wüst, Leonie; Scheuring, Lea; Wellnitz, Tim; Radacki, Krzysztof; Braunschweig, Holger","Alkali metal salts of 1,2,3-benzodiazaborines: platforms for late-stage N-functionalization and metal complexation","Chemical Science","2025","16","22","9934","9942","10.1039/D5SC01395J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0264","0.0258","","","0.07","0.0703","","","","","","1.049","","","","has coordinates","300554","2025-07-06","13:53:39",""
"1574521","19.063","0.003","19.742","0.003","27.214","0.004","79.311","0.012","78.555","0.012","63.042","0.011","8894","3","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","Pt1Ag11(C6HF4S)5(C21H21O3P)7","","- C358 H312 Ag22 Cl8 F40 O42 P14 Pt2 S10 -","- C179 H156 Ag11 Cl4 F20 O21 P7 Pt S5 -","- C358 H312 Ag22 Cl8 F40 O42 P14 Pt2 S10 -","2","1","","Tan, Dong; Ding, Tengfei; Shen, Kaidong; Xu, Chang; Jin, Shan; Hu, Daqiao; Sun, Song; Zhu, Manzhou","Icosahedron kernel defect in Pt1Agx series of bimetallic nanoclusters enhances photocatalytic hydrogen evolution","Chemical Science","2025","16","21","9326","9336","10.1039/D5SC01735A","","","1.54186","CuKα","","0.0919","0.0695","","","0.1888","0.2059","","","","","","1.033","","","","has coordinates","300665","2025-07-06","14:46:05",""
"1574522","14.2241","0.0007","11.8676","0.0006","14.8052","0.0008","90","","111.477","0.0016","90","","2325.7","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H35 O4 -","- C27 H35 O4 -","- C108 H140 O16 -","4","1","","Hyun, Young Eum; Kweon, Jeonguk; Linh Phan, Thi Hieu; Kim, Dongwook; Han, Sunkyu","α-N-phthalimido-oxy isobutyrate-mediated deoxygenative arylation: total synthesis of alanenses A and B","Chemical Science","2025","16","22","9943","9950","10.1039/D5SC00341E","","","0.71073","MoKα","","0.0916","0.048","","","0.0998","0.1194","","","","","","1.04","","","","has coordinates,has disorder","300552","2025-07-06","13:50:51",""
"1574523","13.05","0.005","15.376","0.006","7.436","0.003","90","","103.521","0.014","90","","1450.7","1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 O3 -","- C16 H22 O3 -","- C64 H88 O12 -","4","1","","Hyun, Young Eum; Kweon, Jeonguk; Linh Phan, Thi Hieu; Kim, Dongwook; Han, Sunkyu","α-N-phthalimido-oxy isobutyrate-mediated deoxygenative arylation: total synthesis of alanenses A and B","Chemical Science","2025","16","22","9943","9950","10.1039/D5SC00341E","","","0.71073","MoKα","","0.1244","0.0583","","","0.1027","0.1293","","","","","","1.082","","","","has coordinates","300552","2025-07-06","13:50:53",""
"1574524","6.6232","0.0008","15.1691","0.0017","18.739","0.002","90","","91.374","0.004","90","","1882.1","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 F3 O4 -","- C22 H19 F3 O4 -","- C88 H76 F12 O16 -","4","1","","Hyun, Young Eum; Kweon, Jeonguk; Linh Phan, Thi Hieu; Kim, Dongwook; Han, Sunkyu","α-N-phthalimido-oxy isobutyrate-mediated deoxygenative arylation: total synthesis of alanenses A and B","Chemical Science","2025","16","22","9943","9950","10.1039/D5SC00341E","","","0.71073","MoKα","","0.0906","0.0469","","","0.0867","0.1057","","","","","","1.066","","","","has coordinates","300552","2025-07-06","13:50:53",""
"1574525","8.6471","0.0016","11.616","0.002","11.779","0.002","91.132","0.006","107.559","0.006","99.486","0.006","1109.5","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H25 Cl3 O3 -","- C23 H25 Cl3 O3 -","- C46 H50 Cl6 O6 -","2","1","","Hyun, Young Eum; Kweon, Jeonguk; Linh Phan, Thi Hieu; Kim, Dongwook; Han, Sunkyu","α-N-phthalimido-oxy isobutyrate-mediated deoxygenative arylation: total synthesis of alanenses A and B","Chemical Science","2025","16","22","9943","9950","10.1039/D5SC00341E","","","0.71073","MoKα","","0.0875","0.0527","","","0.1144","0.1375","","","","","","1.038","","","","has coordinates,has disorder","300552","2025-07-06","13:50:53",""
"1574533","12.49474","0.00017","7.51825","0.00012","40.9329","0.0006","90","","90","","90","","3845.18","0.1","295.93","0.1","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H14 F2 N2 O2 Pt -","- C24 H14 F2 N2 O2 Pt -","- C192 H112 F16 N16 O16 Pt8 -","8","1","","Shi, Yingshuang; Tang, Ke; Zhang, Jincheng; Hu, Ping; Wang, Bi-Qin; Zhao, Ke-Qing; Zhou, Yuqiao; Xiang, Haifeng; Song, Jintong","Building metal-induced inherent chirality: chiral stability/phosphorescence enhancement via a ring expansion strategy of Pt(ii) complexes","Chemical Science","2025","16","21","9135","9142","10.1039/D5SC01121C","","","1.54184","CuKα","","0.0451","0.0418","","","0.1094","0.1116","","","","","","1.087","","","","has coordinates","300667","2025-07-06","14:46:35",""
"1574534","11.297","0.0007","11.9689","0.0007","12.4494","0.0007","90","","107.362","0.002","90","","1606.62","0.16","100","0.2","100","0.2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C39 H31 F2 N3 P Pt -","- C39 H31 F2 N3 P Pt -","- C78 H62 F4 N6 P2 Pt2 -","2","0.5","","Shi, Yingshuang; Tang, Ke; Zhang, Jincheng; Hu, Ping; Wang, Bi-Qin; Zhao, Ke-Qing; Zhou, Yuqiao; Xiang, Haifeng; Song, Jintong","Building metal-induced inherent chirality: chiral stability/phosphorescence enhancement via a ring expansion strategy of Pt(ii) complexes","Chemical Science","2025","16","21","9135","9142","10.1039/D5SC01121C","","x-ray","0.71073","MoKα","","0.0308","0.0278","","","0.0686","0.0703","","","","","","1.081","","","","has coordinates,has disorder","300667","2025-07-06","14:46:35",""
"1574535","11.2485","0.0009","13.3692","0.0011","13.834","0.0013","67.612","0.008","80.744","0.007","65.92","0.008","1756.2","0.3","293","2","293.15","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H24 F2 N3 O P Pt -","- C36 H24 F2 N3 O P Pt -","- C72 H48 F4 N6 O2 P2 Pt2 -","2","1","","Shi, Yingshuang; Tang, Ke; Zhang, Jincheng; Hu, Ping; Wang, Bi-Qin; Zhao, Ke-Qing; Zhou, Yuqiao; Xiang, Haifeng; Song, Jintong","Building metal-induced inherent chirality: chiral stability/phosphorescence enhancement via a ring expansion strategy of Pt(ii) complexes","Chemical Science","2025","16","21","9135","9142","10.1039/D5SC01121C","","x-ray","0.71073","MoKα","","0.0947","0.0578","","","0.1131","0.1258","","","","","","0.971","","","","has coordinates","300667","2025-07-06","14:46:35",""
"1574536","11.7209","0.0003","12.2296","0.0003","12.3631","0.0003","80.842","0.001","74.977","0.001","72.509","0.001","1626.08","0.07","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H27 F3 N2 O3 P Pt -","- C38 H27 F3 N2 O3 P Pt -","- C76 H54 F6 N4 O6 P2 Pt2 -","2","1","","Shi, Yingshuang; Tang, Ke; Zhang, Jincheng; Hu, Ping; Wang, Bi-Qin; Zhao, Ke-Qing; Zhou, Yuqiao; Xiang, Haifeng; Song, Jintong","Building metal-induced inherent chirality: chiral stability/phosphorescence enhancement via a ring expansion strategy of Pt(ii) complexes","Chemical Science","2025","16","21","9135","9142","10.1039/D5SC01121C","","","1.54178","CuKα","","0.0472","0.0412","","","0.0919","0.0953","","","","","","1.119","","","","has coordinates","301209","2025-07-10","11:18:53",""
"1574537","12.1153","0.0008","12.2147","0.0008","13.0461","0.0009","75.692","0.002","73.659","0.002","61.642","0.002","1615.52","0.19","100","0.2","100","0.2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H27 F3 N3 O P Pt S -","- C38 H27 F3 N3 O P Pt S -","- C76 H54 F6 N6 O2 P2 Pt2 S2 -","2","1","","Shi, Yingshuang; Tang, Ke; Zhang, Jincheng; Hu, Ping; Wang, Bi-Qin; Zhao, Ke-Qing; Zhou, Yuqiao; Xiang, Haifeng; Song, Jintong","Building metal-induced inherent chirality: chiral stability/phosphorescence enhancement via a ring expansion strategy of Pt(ii) complexes","Chemical Science","2025","16","21","9135","9142","10.1039/D5SC01121C","","x-ray","0.71073","MoKα","","0.0318","0.0262","","","0.0546","0.0564","","","","","","1.046","","","","has coordinates","300667","2025-07-06","14:46:35",""
"1574538","12.972","0.002","22.815","0.004","14.119","0.003","90","","91.864","0.007","90","","4176.4","1.3","100","0.2","100","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H45 F3 N3 O3 P Pt -","- C44 H31 F3 N3 O3 P Pt -","- C176 H124 F12 N12 O12 P4 Pt4 -","4","1","","Shi, Yingshuang; Tang, Ke; Zhang, Jincheng; Hu, Ping; Wang, Bi-Qin; Zhao, Ke-Qing; Zhou, Yuqiao; Xiang, Haifeng; Song, Jintong","Building metal-induced inherent chirality: chiral stability/phosphorescence enhancement via a ring expansion strategy of Pt(ii) complexes","Chemical Science","2025","16","21","9135","9142","10.1039/D5SC01121C","","x-ray","0.71073","MoKα","","0.0701","0.0438","","","0.0929","0.1029","","","","","","1.043","","","","has coordinates","300667","2025-07-06","14:46:35",""
"1574539","12.223","0.002","14.921","0.003","18.193","0.004","101.507","0.007","97.929","0.007","95.935","0.007","3190.8","1.1","100","0.2","100","0.2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H26 Cl2 F2 N3 P Pt S -","- C36.5 H25 Cl F2 N3 P Pt S -","- C146 H100 Cl4 F8 N12 P4 Pt4 S4 -","4","2","","Shi, Yingshuang; Tang, Ke; Zhang, Jincheng; Hu, Ping; Wang, Bi-Qin; Zhao, Ke-Qing; Zhou, Yuqiao; Xiang, Haifeng; Song, Jintong","Building metal-induced inherent chirality: chiral stability/phosphorescence enhancement via a ring expansion strategy of Pt(ii) complexes","Chemical Science","2025","16","21","9135","9142","10.1039/D5SC01121C","","x-ray","0.71073","MoKα","","0.0539","0.0381","","","0.0883","0.0956","","","","","","1.034","","","","has coordinates","300667","2025-07-06","14:46:35",""
"1574540","34.8651","0.0007","29.9134","0.0006","11.7879","0.0002","90","","90","","90","","12294","0.4","170","2","170","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C137.5 H141 Cl5 O2 -","- C137.5 H136 Cl5 O2 -","- C550 H544 Cl20 O8 -","4","1","","Li, Zhi-Ao; Zhu, Ke-Lin; Yao, Nai-Te; Liang, Jiaqi; Shang, Yi-Ling; Zhang, Ye; Gong, Han-Yuan","Enantiomer-enriched π-extended helicenes with a perylene core from binaphthol: axial-to-helical chirality transfer with a stepwise Scholl reaction mechanism","Chemical Science","2025","16","22","9978","9987","10.1039/D5SC01498K","","","1.54184","CuKα","","0.0973","0.0863","","","0.1943","0.2012","","","","","","0.985","","","","has coordinates,has disorder","300557","2025-07-06","13:55:54",""
"1574541","35.148","0.0004","30.1006","0.0004","11.795","0.0002","90","","90","","90","","12478.8","0.3","170","2","170","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C135.75 H143 Cl1.5 O4.75 -","- C135.75 H137.5 Cl1.5 O4.75 -","- C543 H550 Cl6 O19 -","4","1","","Li, Zhi-Ao; Zhu, Ke-Lin; Yao, Nai-Te; Liang, Jiaqi; Shang, Yi-Ling; Zhang, Ye; Gong, Han-Yuan","Enantiomer-enriched π-extended helicenes with a perylene core from binaphthol: axial-to-helical chirality transfer with a stepwise Scholl reaction mechanism","Chemical Science","2025","16","22","9978","9987","10.1039/D5SC01498K","","","1.54184","CuKα","","0.0889","0.0735","","","0.197","0.2053","","","","","","0.927","","","","has coordinates,has disorder","300557","2025-07-06","13:55:55",""
"1574542","15.0587","0.0004","16.355","0.0003","25.5956","0.0004","85.232","0.002","78.91","0.002","88.617","0.002","6164.5","0.2","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","","","- C145 H168 O7 -","- C135 H137 O2 -","- C270 H274 O4 -","2","1","","Li, Zhi-Ao; Zhu, Ke-Lin; Yao, Nai-Te; Liang, Jiaqi; Shang, Yi-Ling; Zhang, Ye; Gong, Han-Yuan","Enantiomer-enriched π-extended helicenes with a perylene core from binaphthol: axial-to-helical chirality transfer with a stepwise Scholl reaction mechanism","Chemical Science","2025","16","22","9978","9987","10.1039/D5SC01498K","","","1.54184","CuKα","","0.1189","0.0971","","","0.2639","0.2841","","","","","","0.951","","","","has coordinates,has disorder","300557","2025-07-06","13:56:04",""
"1574543","14.4766","0.0001","26.96","0.0002","32.5283","0.0002","95.858","0.001","100.307","0.001","99.533","0.001","12204.1","0.16","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C136.12 H142.25 Cl2.25 O2 -","- C135.938 H141.875 Cl1.875 O2 -","- C543.75 H567.5 Cl7.5 O8 -","4","2","","Li, Zhi-Ao; Zhu, Ke-Lin; Yao, Nai-Te; Liang, Jiaqi; Shang, Yi-Ling; Zhang, Ye; Gong, Han-Yuan","Enantiomer-enriched π-extended helicenes with a perylene core from binaphthol: axial-to-helical chirality transfer with a stepwise Scholl reaction mechanism","Chemical Science","2025","16","22","9978","9987","10.1039/D5SC01498K","","","1.54184","CuKα","","0.1111","0.1003","","","0.2759","0.2874","","","","","","0.961","","","","has coordinates,has disorder","300557","2025-07-06","13:56:05",""
"1574544","23.0691","0.0005","30.9414","0.0006","33.7278","0.0013","90","","95.416","0.003","90","","23967.1","1.2","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C135.25 H144.75 Cl3 O4.88 -","- C136.5 H139 Cl3 O3 -","- C1092 H1112 Cl24 O24 -","8","2","","Li, Zhi-Ao; Zhu, Ke-Lin; Yao, Nai-Te; Liang, Jiaqi; Shang, Yi-Ling; Zhang, Ye; Gong, Han-Yuan","Enantiomer-enriched π-extended helicenes with a perylene core from binaphthol: axial-to-helical chirality transfer with a stepwise Scholl reaction mechanism","Chemical Science","2025","16","22","9978","9987","10.1039/D5SC01498K","","","1.54184","CuKα","","0.192","0.1299","","","0.2646","0.2968","","","","","","1.015","","","","has coordinates,has disorder","300557","2025-07-06","13:56:08",""
"1574549","6.5249","0.0006","7.7533","0.0009","11.3333","0.001","90","","103.142","0.003","90","","558.33","0.1","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H14 O3 -","- C13 H14 O3 -","- C26 H28 O6 -","2","1","","Fan, Zhoulong; Cai, Xinpei; Sheng, Tao; Yu, Jin-Quan","Synthesis of bicyclo[3.2.0]heptane lactones via a ligand-enabled Pd-catalyzed C(sp3)–H activation cascade","Chemical Science","2025","16","21","9436","9440","10.1039/D5SC00711A","","x-ray","0.71073","MoKα","K-L~3~","0.0591","0.0503","","","0.1321","0.1387","","","","","","1.049","","","","has coordinates,has disorder","300663","2025-07-06","14:45:12",""
"1574550","8.1406","0.0005","5.8085","0.0003","19.8674","0.0011","90","","92.646","0.002","90","","938.42","0.09","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 F O2 -","- C12 H11 F O2 -","- C48 H44 F4 O8 -","4","1","","Fan, Zhoulong; Cai, Xinpei; Sheng, Tao; Yu, Jin-Quan","Synthesis of bicyclo[3.2.0]heptane lactones via a ligand-enabled Pd-catalyzed C(sp3)–H activation cascade","Chemical Science","2025","16","21","9436","9440","10.1039/D5SC00711A","","x-ray","0.71073","MoKα","K-L~3~","0.0419","0.0353","","","0.0852","0.0897","","","","","","1.041","","","","has coordinates","300663","2025-07-06","14:45:13",""
"1574553","9.43","0.003","9.489","0.002","21.189","0.005","90","","93.651","0.018","90","","1892.2","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 Br N2 O2 -","- C21 H23 Br N2 O2 -","- C84 H92 Br4 N8 O8 -","4","1","","Casselman, Tyler D.; Madhusudhanan, Mithun C.; Mai, Binh Khanh; Liu, Peng; Stoltz, Brian M.","Potassium tert-butoxide mediated stereoselective/direct Mannich reaction of α-substituted-γ-lactams with in situ generated aryl N-silyl imines","Chemical Science","2025","16","22","9863","9871","10.1039/D4SC06391K","","","0.71073","MoKα","","0.0342","0.0267","","","0.068","0.071","","","","","","1.019","","","","has coordinates","300553","2025-07-06","13:51:10",""
"1574554","11.85","0.0011","49.858","0.004","8.0771","0.001","90","","90.083","0.007","90","","4772.1","0.8","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 Br N2 O2 -","- C27 H27 Br N2 O2 -","- C216 H216 Br8 N16 O16 -","8","2","","Casselman, Tyler D.; Madhusudhanan, Mithun C.; Mai, Binh Khanh; Liu, Peng; Stoltz, Brian M.","Potassium tert-butoxide mediated stereoselective/direct Mannich reaction of α-substituted-γ-lactams with in situ generated aryl N-silyl imines","Chemical Science","2025","16","22","9863","9871","10.1039/D4SC06391K","","","1.54178","CuKα","","0.0732","0.0679","","","0.1654","0.1686","","","","","","1.149","","","","has coordinates","300553","2025-07-06","13:51:11",""
"1574555","19.64","0.005","6.144","0.0016","17.135","0.005","90","","94.127","0.006","90","","2062.3","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N2 O2 -","- C26 H26 N2 O2 -","- C104 H104 N8 O8 -","4","1","","Casselman, Tyler D.; Madhusudhanan, Mithun C.; Mai, Binh Khanh; Liu, Peng; Stoltz, Brian M.","Potassium tert-butoxide mediated stereoselective/direct Mannich reaction of α-substituted-γ-lactams with in situ generated aryl N-silyl imines","Chemical Science","2025","16","22","9863","9871","10.1039/D4SC06391K","","","0.71073","MoKα","","0.0501","0.04","","","0.1106","0.1175","","","","","","1.042","","","","has coordinates","300553","2025-07-06","13:51:19",""
"1574566","16.67","0.03","6.012","0.009","40.37","0.07","90","","91.8","1.1","90","","4044","12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","LLDDLL peptoid hexamer","","- C35 H57 N9 O10 -","- C35 H55 N9 O10 -","- C140 H220 N36 O40 -","4","2","","Morimoto, Jumpei; Yokomine, Marin; Shiratori, Yota; Ueda, Takumi; Nakamuro, Takayuki; Takaba, Kiyofumi; Maki-Yonekura, Saori; Umezawa, Koji; Miyanishi, Koichiro; Fukuda, Yasuhiro; Watanabe, Takumu; Suga, Mayuko; Inayoshi, Ayumi; Yoshida, Takuya; Mizukami, Wataru; Takeuchi, Koh; Yonekura, Koji; Nakamura, Eiichi; Sando, Shinsuke","Bottom-up design of peptide shapes in water using oligomers of N-methyl-l/d-alanine","Chemical Science","2025","16","23","10512","10522","10.1039/D5SC01483B","","","0.8267","synchrotron","","0.1223","0.1069","","","0.3155","0.3311","","","","","","1.884","","","","has coordinates","300656","2025-07-06","14:42:26",""
"1574567","6.4996","0.0001","10.573","0.0001","12.7837","0.0002","90","","93.148","0.001","90","","877.17","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H27 N3 O4 -","- C15 H27 N3 O4 -","- C30 H54 N6 O8 -","2","1","","Morimoto, Jumpei; Yokomine, Marin; Shiratori, Yota; Ueda, Takumi; Nakamuro, Takayuki; Takaba, Kiyofumi; Maki-Yonekura, Saori; Umezawa, Koji; Miyanishi, Koichiro; Fukuda, Yasuhiro; Watanabe, Takumu; Suga, Mayuko; Inayoshi, Ayumi; Yoshida, Takuya; Mizukami, Wataru; Takeuchi, Koh; Yonekura, Koji; Nakamura, Eiichi; Sando, Shinsuke","Bottom-up design of peptide shapes in water using oligomers of N-methyl-l/d-alanine","Chemical Science","2025","16","23","10512","10522","10.1039/D5SC01483B","","","1.54184","CuKα","","0.026","0.0257","","","0.0678","0.068","","","","","","1.065","","","","has coordinates,has disorder","300656","2025-07-06","14:42:27",""
"1574568","6.3004","0.0003","12.6013","0.0008","31.7505","0.0017","90","","90","","90","","2520.8","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H34 N4 O5 -","- C19 H34 N4 O5 -","- C76 H136 N16 O20 -","4","1","","Morimoto, Jumpei; Yokomine, Marin; Shiratori, Yota; Ueda, Takumi; Nakamuro, Takayuki; Takaba, Kiyofumi; Maki-Yonekura, Saori; Umezawa, Koji; Miyanishi, Koichiro; Fukuda, Yasuhiro; Watanabe, Takumu; Suga, Mayuko; Inayoshi, Ayumi; Yoshida, Takuya; Mizukami, Wataru; Takeuchi, Koh; Yonekura, Koji; Nakamura, Eiichi; Sando, Shinsuke","Bottom-up design of peptide shapes in water using oligomers of N-methyl-l/d-alanine","Chemical Science","2025","16","23","10512","10522","10.1039/D5SC01483B","","","1.54184","CuKα","","0.0798","0.072","","","0.2181","0.2267","","","","","","1.093","","","","has coordinates","300656","2025-07-06","14:42:27",""
"1574569","5.9846","0.0001","22.8259","0.0003","31.5688","0.0004","90","","90","","90","","4312.42","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H68 N8 O10 -","- C38 H68.5 N8 O10.25 -","- C152 H274 N32 O41 -","4","1","","Morimoto, Jumpei; Yokomine, Marin; Shiratori, Yota; Ueda, Takumi; Nakamuro, Takayuki; Takaba, Kiyofumi; Maki-Yonekura, Saori; Umezawa, Koji; Miyanishi, Koichiro; Fukuda, Yasuhiro; Watanabe, Takumu; Suga, Mayuko; Inayoshi, Ayumi; Yoshida, Takuya; Mizukami, Wataru; Takeuchi, Koh; Yonekura, Koji; Nakamura, Eiichi; Sando, Shinsuke","Bottom-up design of peptide shapes in water using oligomers of N-methyl-l/d-alanine","Chemical Science","2025","16","23","10512","10522","10.1039/D5SC01483B","","","1.54184","CuKα","","0.0422","0.039","","","0.1021","0.104","","","","","","1.045","","","","has coordinates","300656","2025-07-06","14:42:27",""
"1574570","11.4744","0.0009","11.478","0.0009","12.5186","0.001","90","","103.243","0.001","90","","1604.9","0.2","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Ammonium copper bromine formate","","- C4 H8 Br4 Cu5 N O8 -","- C4 H8 Br4 Cu5 N O8 -","- C16 H32 Br16 Cu20 N4 O32 -","4","0.5","","Abusa, Yao; Greenfield, Joshua; Viswanathan, Gayatri; Goswami, Smitakshi; Ross, Emma; Yox, Philip; Oppong, Richeal; Ojo, Iyanu; Liu, Jifeng; Ozarowski, Andrew; Kovnir, Kirill","A competition between 2D and 3D magnetic orderings in novel mixed valent copper frameworks","Chemical Science","2025","16","24","11027","11038","10.1039/D5SC00548E","","","0.71073","MoKα","","0.0426","0.0233","","","0.0489","0.0561","","","","","","1.063","","","","has coordinates","300547","2025-07-06","13:47:35",""
"1574571","11.3847","0.0007","11.3964","0.0008","12.3227","0.0009","90","","103.363","0.003","90","","1555.52","0.19","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Potassium copper bromine formate","Potassium copper bromine formate","","- C4 H4 Br4 Cu5 K O8 -","- C4 H4 Br4 Cu5 K O8 -","- C16 H16 Br16 Cu20 K4 O32 -","4","0.5","","Abusa, Yao; Greenfield, Joshua; Viswanathan, Gayatri; Goswami, Smitakshi; Ross, Emma; Yox, Philip; Oppong, Richeal; Ojo, Iyanu; Liu, Jifeng; Ozarowski, Andrew; Kovnir, Kirill","A competition between 2D and 3D magnetic orderings in novel mixed valent copper frameworks","Chemical Science","2025","16","24","11027","11038","10.1039/D5SC00548E","","","0.71073","MoKα","","0.0348","0.0253","","","0.0676","0.0696","","","","","","1.084","","","","has coordinates","300547","2025-07-06","13:47:36",""
"1574572","11.4433","0.0012","11.455","0.0013","12.605","0.0015","90","","103.207","0.006","90","","1608.6","0.3","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Rubidium copper bromine formate","","- C8 H8 Br8 Cu10 O16 Rb2 -","- C8 H8 Br8 Cu10 O16 Rb2 -","- C16 H16 Br16 Cu20 O32 Rb4 -","2","0.25","","Abusa, Yao; Greenfield, Joshua; Viswanathan, Gayatri; Goswami, Smitakshi; Ross, Emma; Yox, Philip; Oppong, Richeal; Ojo, Iyanu; Liu, Jifeng; Ozarowski, Andrew; Kovnir, Kirill","A competition between 2D and 3D magnetic orderings in novel mixed valent copper frameworks","Chemical Science","2025","16","24","11027","11038","10.1039/D5SC00548E","","","0.71073","MoKα","","0.031","0.0259","","","0.0635","0.0658","","","","","","1.182","","","","has coordinates","300547","2025-07-06","13:47:36",""
"1574573","12.1357","0.0007","11.1746","0.0005","11.1684","0.0006","90","","103.214","0.002","90","","1474.46","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Sodium copper bromine formate","","","- C4 H4 Br4 Cu5 Na O8 -","- C4 H4 Br4 Cu5 Na O8 -","- C16 H16 Br16 Cu20 Na4 O32 -","4","1","","Abusa, Yao; Greenfield, Joshua; Viswanathan, Gayatri; Goswami, Smitakshi; Ross, Emma; Yox, Philip; Oppong, Richeal; Ojo, Iyanu; Liu, Jifeng; Ozarowski, Andrew; Kovnir, Kirill","A competition between 2D and 3D magnetic orderings in novel mixed valent copper frameworks","Chemical Science","2025","16","24","11027","11038","10.1039/D5SC00548E","","","0.71073","MoKα","","0.0358","0.0205","","","0.055","0.0637","","","","","","1.04","","","","has coordinates","300547","2025-07-06","13:47:36",""
"1574574","9.0736","0.0012","14.8909","0.0018","19.28","0.002","90","","90","","90","","2605","0.5","150.01","0.1","150.01","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H26 N6 -","- C32 H26 N6 -","- C128 H104 N24 -","4","0.5","","Seinfeld, Mathilde; Rouillon, Jean; Rullan, Raphael; Jeanneau, Erwann; Steinmann, Stephan N.; Andraud, Chantal; Le Bahers, Tangui; Monnereau, Cyrille","Stereoselective synthesis of heterocyclic tetraphenylethylene analogues with configuration-dependent solid-state luminescence","Chemical Science","2025","16","23","10523","10531","10.1039/D4SC08333D","","x-ray","0.71073","MoKα","","0.1019","0.0669","","","0.1605","0.2028","","","","","","1.088","","","","has coordinates","300655","2025-07-06","14:42:11",""
"1574575","7.7794","0.0001","9.85","0.0001","18.6746","0.0002","78.986","0.001","81.955","0.001","71.468","0.001","1326.95","0.03","99.9","0.2","99.9","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C68 H68 N8 -","- C68 H68 N8 -","- C68 H68 N8 -","1","0.5","","Seinfeld, Mathilde; Rouillon, Jean; Rullan, Raphael; Jeanneau, Erwann; Steinmann, Stephan N.; Andraud, Chantal; Le Bahers, Tangui; Monnereau, Cyrille","Stereoselective synthesis of heterocyclic tetraphenylethylene analogues with configuration-dependent solid-state luminescence","Chemical Science","2025","16","23","10523","10531","10.1039/D4SC08333D","","x-ray","1.54184","CuKα","","0.0481","0.0461","","","0.1206","0.1223","","","","","","1.041","","","","has coordinates","300655","2025-07-06","14:42:12",""
"1574576","72.2732","0.0007","9.2167","0.0001","24.9319","0.0002","90","","92.577","0.001","90","","16590.9","0.3","150","","150","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C42 H44 N6 O4 -","- C42 H44 N6 O4 -","- C672 H704 N96 O64 -","16","4","","Li, Zhipeng; Zhang, Jingyang; Zhu, Wanmeng; Wang, Tianyi; Tang, Yefeng; Wang, Jian","N-Heterocyclic carbene-catalyzed enantioselective (dynamic) kinetic resolution for the assembly of inherently chiral macrocycles","Chemical Science","2025","16","24","11021","11026","10.1039/D5SC01773D","","x-ray","1.54184","CuKα","","0.0975","0.071","","","0.1787","0.1936","","","","","","1.037","","","","has coordinates,has disorder","300537","2025-07-06","13:44:00",""
"1574577","13.6732","0.0009","15.7373","0.0011","17.8565","0.0012","91.328","0.002","91.152","0.002","102.706","0.002","3746","0.4","112","","112","","","","","","","","","9","P -1","-P 1","2","","","","- C83 H76 Cl3 F6 N2 O6 P2 Rh2 S2 -","- C83 H76 Cl3 F6 N2 O6 P2 Rh2 S2 -","- C166 H152 Cl6 F12 N4 O12 P4 Rh4 S4 -","2","1","","Litle, Elishua D.; Bedajna, Shantabh; Gabbaï, François P.","L/Z-ligand type amphoterism of an acridinium unit","Chemical Science","2025","16","24","10852","10856","10.1039/D5SC00965K","","","0.71073","MoKα","","0.0829","0.061","","","0.1365","0.1468","","","","","","1.067","","","","has coordinates","300544","2025-07-06","13:46:45",""
"1574578","27.264","0.004","9.5891","0.0014","22.664","0.003","90","","93.997","0.006","90","","5910.8","1.5","110","","110","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C33 H25 Cl F3 N O3 P Rh S -","- C33 H25 Cl F3 N O3 P Rh S -","- C264 H200 Cl8 F24 N8 O24 P8 Rh8 S8 -","8","1","","Litle, Elishua D.; Bedajna, Shantabh; Gabbaï, François P.","L/Z-ligand type amphoterism of an acridinium unit","Chemical Science","2025","16","24","10852","10856","10.1039/D5SC00965K","","","0.71073","MoKα","","0.0704","0.0629","","","0.1624","0.1687","","","","","","1.157","","","","has coordinates","300544","2025-07-06","13:46:45",""
"1574579","13.056","0.0009","12.3746","0.0009","25.291","0.002","90","","102.588","0.002","90","","3987.9","0.5","110","","110","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C41 H41 Cl F3 N3 O4 P Rh S -","- C41 H41 Cl F3 N3 O4 P Rh S -","- C164 H164 Cl4 F12 N12 O16 P4 Rh4 S4 -","4","1","","Litle, Elishua D.; Bedajna, Shantabh; Gabbaï, François P.","L/Z-ligand type amphoterism of an acridinium unit","Chemical Science","2025","16","24","10852","10856","10.1039/D5SC00965K","","","0.71073","MoKα","","0.0977","0.0782","","","0.1925","0.2049","","","","","","1.144","","","","has coordinates","300544","2025-07-06","13:46:45",""
"1574580","9.559","0.0005","14.5429","0.0008","14.775","0.0008","88.144","0.002","74.108","0.002","79.653","0.002","1943.02","0.18","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H31 N30 Na2 O13 Pu -","- C18 H31 N30 Na2 O13 Pu -","- C36 H62 N60 Na4 O26 Pu2 -","2","1","","Bai, Zhuanling; Martelles, Madeline C.; Sperling, Joseph M.; Albrecht, Thomas E.","Unveiling the covalency of versatile Pu(iii)-N bonds in a unique plutonium(iii) complex","Chemical Science","2025","16","23","10424","10431","10.1039/D5SC01808K","","","0.71073","MoKα","","0.065","0.056","","","0.1137","0.1172","","","","","","1.18","","","","has coordinates","300659","2025-07-06","14:43:20",""
"1574581","20.0184","0.0006","21.3728","0.0007","22.6375","0.0008","83.5455","0.0017","74.0558","0.0017","79.746","0.0017","9143.4","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C91 H72 Cl N8 O3 Re -","- C91 H72 Cl N8 O3 Re -","- C364 H288 Cl4 N32 O12 Re4 -","4","2","","Varghese, Eldhose V.; Liu, Yi-Hung; Chen, Hsing-Yin; Li, Chien-Hung; Chen, Chia-Hsiang","Rhenium coordination-induced conformational modulation in nitrogen-doped nanographene","Chemical Science","2025","16","22","9966","9977","10.1039/D5SC02827B","","","1.54178","CuKα","","0.1458","0.0761","","","0.2091","0.2756","","","","","","0.868","","","","has coordinates,has disorder","300555","2025-07-06","13:54:02",""
"1574582","24.578","0.0007","35.7337","0.0009","21.4113","0.0006","90","","102.624","0.0014","90","","18350.2","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C98 H88 Cl3 N8 O3 Re -","- C98 H88 Cl3 N8 O3 Re -","- C784 H704 Cl24 N64 O24 Re8 -","8","1","","Varghese, Eldhose V.; Liu, Yi-Hung; Chen, Hsing-Yin; Li, Chien-Hung; Chen, Chia-Hsiang","Rhenium coordination-induced conformational modulation in nitrogen-doped nanographene","Chemical Science","2025","16","22","9966","9977","10.1039/D5SC02827B","","","1.54178","CuKα","","0.0967","0.062","","","0.1594","0.1799","","","","","","1.021","","","","has coordinates,has disorder","300555","2025-07-06","13:54:03",""
"1574583","38.3843","0.0011","7.1312","0.0002","33.4701","0.0007","90","","97.967","0.003","90","","9073.2","0.4","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H47 Br2 N3 O4 -","- C53 H47 Br2.0005 N3 O4 -","- C424 H376 Br16.004 N24 O32 -","8","1","","Zhou, Qian; Feng, Mingxia; Shi, Caihong; Qian, Mengqiu; Ma, Xiurong; He, Runying; Meng, Xian; Shi, Yonggang; Cao, Qiue; Zheng, Liyan","Multiple stimulus modulated organic crystal polymorphs with tunable luminescence behavior","Chemical Science","2025","16","22","9988","9997","10.1039/D5SC01503K","","x-ray","1.54184","CuKα","","0.1165","0.0909","","","0.2569","0.2806","","","","","","1.041","","","","has coordinates,has disorder","300559","2025-07-06","13:57:14",""
"1574584","38.4139","0.0017","7.1583","0.0003","33.7745","0.0015","90","","98.265","0.002","90","","9190.8","0.7","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H37 Br2 N3 -","- C52 H37 Br2.0001 N3 -","- C416 H296 Br16.0008 N24 -","8","1","","Zhou, Qian; Feng, Mingxia; Shi, Caihong; Qian, Mengqiu; Ma, Xiurong; He, Runying; Meng, Xian; Shi, Yonggang; Cao, Qiue; Zheng, Liyan","Multiple stimulus modulated organic crystal polymorphs with tunable luminescence behavior","Chemical Science","2025","16","22","9988","9997","10.1039/D5SC01503K","","","1.34139","GaKα","","0.1274","0.0849","","","0.1707","0.1882","","","","","","1.054","","","","has coordinates,has disorder","300559","2025-07-06","13:57:15",""
"1574585","38.581","0.008","7.1035","0.0015","33.75","0.008","90","","98.022","0.007","90","","9159","3","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H37 Br2 N3 -","- C52 H37 Br2.0067 N3 -","- C416 H296 Br16.0536 N24 -","8","1","","Zhou, Qian; Feng, Mingxia; Shi, Caihong; Qian, Mengqiu; Ma, Xiurong; He, Runying; Meng, Xian; Shi, Yonggang; Cao, Qiue; Zheng, Liyan","Multiple stimulus modulated organic crystal polymorphs with tunable luminescence behavior","Chemical Science","2025","16","22","9988","9997","10.1039/D5SC01503K","","","1.34139","GaKα","","0.1549","0.0895","","","0.2332","0.271","","","","","","1.128","","","","has coordinates,has disorder","300559","2025-07-06","13:57:16",""
"1574586","13.1747","0.0015","15.032","0.0017","15.0828","0.0018","87.387","0.003","80.397","0.003","77.998","0.003","2880.6","0.6","187","2","187","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H56 Cl N6 Pd2 -","- C72 H54 N6 Pd2 -","- C144 H108 N12 Pd4 -","2","1","","Xue, Minying; To, Wai-Pong; Cheng, Gang; Zhang, Yuzhen; Tang, Zhou; Du, Lili; Low, Kam-Hung; Wan, Qingyun; Che, Chi-Ming","3MMLCT excited states of luminescent binuclear PdII complexes: excited state inner-sphere electron-transfer reactions and application","Chemical Science","2025","16","24","10701","10713","10.1039/D4SC08612K","","","0.71073","MoKα","","0.1466","0.0581","","","0.1077","0.15","","","","","","1.083","","","","has coordinates,has disorder","300550","2025-07-06","13:48:21",""
"1574587","17.465","0.014","19.39","0.013","20.394","0.017","90","","97.86","0.02","90","","6841","9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H98 N6 Pt2 -","- C68 H70 N6 Pt2 -","- C272 H280 N24 Pt8 -","4","1","","Xue, Minying; To, Wai-Pong; Cheng, Gang; Zhang, Yuzhen; Tang, Zhou; Du, Lili; Low, Kam-Hung; Wan, Qingyun; Che, Chi-Ming","3MMLCT excited states of luminescent binuclear PdII complexes: excited state inner-sphere electron-transfer reactions and application","Chemical Science","2025","16","24","10701","10713","10.1039/D4SC08612K","","","0.71073","MoKα","","0.0935","0.0445","","","0.0822","0.0985","","","","","","1.012","","","","has coordinates,has disorder","300550","2025-07-06","13:48:22",""
"1574588","19.9715","0.0011","17.5055","0.001","13.1183","0.0008","90","","109.737","0.003","90","","4316.9","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H42 N10 Pd2 -","- C52 H42 N10 Pd2 -","- C208 H168 N40 Pd8 -","4","0.5","","Xue, Minying; To, Wai-Pong; Cheng, Gang; Zhang, Yuzhen; Tang, Zhou; Du, Lili; Low, Kam-Hung; Wan, Qingyun; Che, Chi-Ming","3MMLCT excited states of luminescent binuclear PdII complexes: excited state inner-sphere electron-transfer reactions and application","Chemical Science","2025","16","24","10701","10713","10.1039/D4SC08612K","","","1.34138","GaKα","","0.0596","0.0428","","","0.106","0.1179","","","","","","1.094","","","","has coordinates","300550","2025-07-06","13:48:31",""
"1574589","12.4062","0.0018","12.6181","0.0018","19.276","0.003","102.182","0.004","95.522","0.004","118.581","0.003","2520.9","0.7","170","2","170","2","","","","","","","","5","P 1","P 1","1","","","","- C59 H54 Cl2 N6 Pd2 -","- C53 H40 Cl2 N6 Pd2 -","- C106 H80 Cl4 N12 Pd4 -","2","2","","Xue, Minying; To, Wai-Pong; Cheng, Gang; Zhang, Yuzhen; Tang, Zhou; Du, Lili; Low, Kam-Hung; Wan, Qingyun; Che, Chi-Ming","3MMLCT excited states of luminescent binuclear PdII complexes: excited state inner-sphere electron-transfer reactions and application","Chemical Science","2025","16","24","10701","10713","10.1039/D4SC08612K","","","0.71073","MoKα","","0.1496","0.0545","","","0.1021","0.13","","","","","","0.977","","","","has coordinates","300550","2025-07-06","13:48:33",""
"1574590","28.787","0.0019","14.0679","0.0009","18.2253","0.0014","90","","125.365","0.002","90","","6018.9","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C69 H72 Cl2 N6 Pd2 -","- C69 H72 Cl2 N6 Pd2 -","- C276 H288 Cl8 N24 Pd8 -","4","0.5","","Xue, Minying; To, Wai-Pong; Cheng, Gang; Zhang, Yuzhen; Tang, Zhou; Du, Lili; Low, Kam-Hung; Wan, Qingyun; Che, Chi-Ming","3MMLCT excited states of luminescent binuclear PdII complexes: excited state inner-sphere electron-transfer reactions and application","Chemical Science","2025","16","24","10701","10713","10.1039/D4SC08612K","","","0.71073","MoKα","","0.1622","0.0727","","","0.1517","0.1829","","","","","","1.055","","","","has coordinates","300550","2025-07-06","13:48:41",""
"1574591","20.022","0.003","13.1386","0.0019","17.551","0.002","90","","114.783","0.004","90","","4191.8","1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H43 N9 Pd2 -","- C48 H43 N9 Pd2 -","- C192 H172 N36 Pd8 -","4","1","","Xue, Minying; To, Wai-Pong; Cheng, Gang; Zhang, Yuzhen; Tang, Zhou; Du, Lili; Low, Kam-Hung; Wan, Qingyun; Che, Chi-Ming","3MMLCT excited states of luminescent binuclear PdII complexes: excited state inner-sphere electron-transfer reactions and application","Chemical Science","2025","16","24","10701","10713","10.1039/D4SC08612K","","","0.71073","MoKα","","0.0437","0.0324","","","0.0699","0.0739","","","","","","1.042","","","","has coordinates","300550","2025-07-06","13:48:43",""
"1574592","6.4618","0.0002","7.8144","0.0002","22.3901","0.0006","90","","90","","90","","1130.59","0.05","299","2","299","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 -","- C16 H12 -","- C64 H48 -","4","1","","Bello-García, Jesús; Varela, Jesús A.; Saá, Carlos","Transition metal-free vs. metal-catalyzed cyclotrimerization of didehydro[8]annulenes (COTynes): a complex pathway to non-planar PAHs – Dewar benzenes vs. benzotri[8]annulenes","Chemical Science","2025","16","24","10874","10880","10.1039/D5SC03035H","","x-ray","1.54178","CuKα","","0.035","0.031","","","0.0762","0.0802","","","","","","1.093","","","","has coordinates","300536","2025-07-06","13:43:45",""
"1574593","9.4244","0.0004","9.6598","0.0005","10.1931","0.0005","75.257","0.005","82.012","0.004","67.21","0.004","826.5","0.07","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C24 H18 -","- C24 H18 -","- C48 H36 -","2","1","","Bello-García, Jesús; Varela, Jesús A.; Saá, Carlos","Transition metal-free vs. metal-catalyzed cyclotrimerization of didehydro[8]annulenes (COTynes): a complex pathway to non-planar PAHs – Dewar benzenes vs. benzotri[8]annulenes","Chemical Science","2025","16","24","10874","10880","10.1039/D5SC03035H","","x-ray","1.54184","CuKα","","0.0502","0.0407","","","0.1026","0.1079","","","","","","1.058","","","","has coordinates","300536","2025-07-06","13:43:46",""
"1574594","13.0765","0.0008","17.2821","0.0011","30.4781","0.0019","75.352","0.002","81.6","0.002","71.934","0.002","6318.2","0.7","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C134 H134 Cl6 N28 -","- C132 H133 N28 -","- C264 H266 N56 -","2","1","","Tang, Hua; Lu, Yuyang; Qian, Yongwei; Ge, Chenqi; Liu, Jiyong; Chen, Hongliang; Li, Hao","A conformationally adaptable tetrahedral cage with different guest encapsulation models","Chemical Science","2025","16","24","10867","10873","10.1039/D5SC01474C","","x-ray","1.34139","GaKα","","0.1713","0.0922","","","0.2715","0.3302","","","","","","1.006","","","","has coordinates","300541","2025-07-06","13:45:24",""
"1574595","32.4774","0.0007","32.4774","0.0007","32.4774","0.0007","90","","90","","90","","34256.6","1.3","170","","170","","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","","","","- C169 H217 Cl10.02 N29 O5 -","- C136 H143.999 Cl1.0148 N29 -","- C1088 H1151.99 Cl8.1184 N232 -","8","0.0833333","","Tang, Hua; Lu, Yuyang; Qian, Yongwei; Ge, Chenqi; Liu, Jiyong; Chen, Hongliang; Li, Hao","A conformationally adaptable tetrahedral cage with different guest encapsulation models","Chemical Science","2025","16","24","10867","10873","10.1039/D5SC01474C","","x-ray","1.34139","GaKα","","0.1041","0.0888","","","0.296","0.319","","","","","","1.299","","","","has coordinates,has disorder","300541","2025-07-06","13:45:25",""
"1574596","15.9658","0.001","16.1176","0.001","33.451","0.002","81.578","0.002","82.615","0.002","84.009","0.002","8412.3","0.9","170","","170","","","","","","","","","8","P -1","-P 1","2","","","","- C155 H183 Cl3 Cs2 F12 N30 O15 S4 -","- C136 H140 Cs2 F12 N30 O12 S4 -","- C272 H280 Cs4 F24 N60 O24 S8 -","2","1","","Tang, Hua; Lu, Yuyang; Qian, Yongwei; Ge, Chenqi; Liu, Jiyong; Chen, Hongliang; Li, Hao","A conformationally adaptable tetrahedral cage with different guest encapsulation models","Chemical Science","2025","16","24","10867","10873","10.1039/D5SC01474C","","x-ray","1.34139","GaKα","","0.0803","0.0682","","","0.2117","0.2207","","","","","","1.021","","","","has coordinates,has disorder","300541","2025-07-06","13:45:25",""
"1574597","20.1236","0.0005","7.0187","0.0003","12.0117","0.0004","90","","97.82","0.003","90","","1680.77","0.1","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H19 N3 S -","- C18 H19 N3 S -","- C72 H76 N12 S4 -","4","1","","Liu, Fayu; Guo, Yanqi; Lu, Weidong; Zhao, Xiaowei; Yin, Yanli; Jiang, Zhiyong","Precise construction of spiro stereocenters via enantioselective radical addition through modulating photocatalysis from redox to energy transfer","Chemical Science","2025","16","23","10555","10562","10.1039/D5SC01583A","","x-ray","1.54184","CuKα","","0.0465","0.0419","","","0.1138","0.1186","","","","","","1.071","","","","has coordinates","300660","2025-07-06","14:43:31",""
"1574598","13.1753","0.0017","15.5076","0.0019","12.1845","0.0015","90","","115.425","0.003","90","","2248.4","0.5","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 B2 O4 -","- C22 H34 B2 O4 -","- C88 H136 B8 O16 -","4","1","","Hu, Jiefeng; Zhang, Kun; Wang, Jing; Huang, Mingming; Chen, Shuangru; Shi, Zhuangzhi; Marder, Todd B.","Synthesis of gem-di(boryl)cyclopropanes from non-activated olefins via Mn-photocatalyzed atom transfer radical addition","Chemical Science","2025","16","23","10595","10601","10.1039/D5SC02670A","","","0.71073","MoKα","","0.2089","0.0988","","","0.2314","0.2878","","","","","","1.019","","","","has coordinates,has disorder","300658","2025-07-06","14:43:10",""
"1574599","8.6082","0.0001","11.3392","0.0002","14.3006","0.0003","90","","90","","90","","1395.88","0.04","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","L-6","","- C26 H26 N4 O12 Zn2 -","- C26 H26 N4 O12 Zn2 -","- C52 H52 N8 O24 Zn4 -","2","0.5","","Zheng, Hongrui; Wang, Qingqing; Wang, Fei; Li, Shangda; Zhang, Jian","Rational design of circularly polarized luminescence active chiral metal–organic frameworks for logic devices","Chemical Science","2025","16","24","10742","10749","10.1039/D5SC02334C","","x-ray","1.54184","CuKα","","0.0623","0.0577","","","0.1496","0.1546","","","","","","1.063","","","","has coordinates","300542","2025-07-06","13:45:38",""
"1574600","8.5077","0.0001","11.3704","0.0002","14.5983","0.0002","90","","90","","90","","1412.18","0.04","100","0.15","100","0.15","","","","","","","","5","P 21 21 2","P 2 2ab","18","","D-24","","- C25 H23 N5 O12 Zn2 -","- C25 H23 N5 O12 Zn2 -","- C50 H46 N10 O24 Zn4 -","2","0.5","","Zheng, Hongrui; Wang, Qingqing; Wang, Fei; Li, Shangda; Zhang, Jian","Rational design of circularly polarized luminescence active chiral metal–organic frameworks for logic devices","Chemical Science","2025","16","24","10742","10749","10.1039/D5SC02334C","","x-ray","0.71073","MoKα","","0.1135","0.1053","","","0.2569","0.2611","","","","","","1.164","","","","has coordinates,has disorder","300542","2025-07-06","13:45:39",""
"1574601","8.5192","0.0001","11.39","0.0001","15.0392","0.0001","90","","92.267","0.001","90","","1458.17","0.02","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","d-42","","- C26 H24.64 N4 O14 Zn2 -","- C26 H24.64 N4 O14 Zn2 -","- C52 H49.28 N8 O28 Zn4 -","2","1","","Zheng, Hongrui; Wang, Qingqing; Wang, Fei; Li, Shangda; Zhang, Jian","Rational design of circularly polarized luminescence active chiral metal–organic frameworks for logic devices","Chemical Science","2025","16","24","10742","10749","10.1039/D5SC02334C","","x-ray","1.54184","CuKα","","0.054","0.0492","","","0.1111","0.1144","","","","","","1.069","","","","has coordinates,has disorder","300542","2025-07-06","13:45:39",""
"1574602","8.5952","0.0002","11.3099","0.0002","14.1931","0.0003","90","","90","","90","","1379.72","0.05","99.98","0.18","99.98","0.18","","","","","","","","5","P 21 21 2","P 2 2ab","18","","D-6","","- C2.6 H0.05 N0.4 O1.2 Zn0.2 -","- C2.6 H2.4 N0.4 O1.2 Zn0.2 -","- C52 H48 N8 O24 Zn4 -","20","5","","Zheng, Hongrui; Wang, Qingqing; Wang, Fei; Li, Shangda; Zhang, Jian","Rational design of circularly polarized luminescence active chiral metal–organic frameworks for logic devices","Chemical Science","2025","16","24","10742","10749","10.1039/D5SC02334C","","x-ray","0.71073","MoKα","","0.0404","0.0337","","","0.0781","0.0817","","","","","","1.045","","","","has coordinates","300542","2025-07-06","13:45:39",""
"1574603","11.3801","0.0001","8.5624","0.0001","14.6534","0.0001","90","","90","","90","","1427.84","0.02","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","L-24","","- C26 H24 N5 O12 Zn2 -","- C26 H24 N5 O12 Zn2 -","- C52 H48 N10 O24 Zn4 -","2","0.5","","Zheng, Hongrui; Wang, Qingqing; Wang, Fei; Li, Shangda; Zhang, Jian","Rational design of circularly polarized luminescence active chiral metal–organic frameworks for logic devices","Chemical Science","2025","16","24","10742","10749","10.1039/D5SC02334C","","x-ray","1.54184","CuKα","","0.061","0.0598","","","0.1606","0.1617","","","","","","1.153","","","","has coordinates","300542","2025-07-06","13:45:39",""
"1574604","8.5446","0.0001","11.378","0.0001","14.9531","0.0001","90","","92.073","0.001","90","","1452.8","0.02","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","L-42","","- C24 H22 N4 O14 Zn2 -","- C24 H22 N4 O14 Zn2 -","- C48 H44 N8 O28 Zn4 -","2","1","","Zheng, Hongrui; Wang, Qingqing; Wang, Fei; Li, Shangda; Zhang, Jian","Rational design of circularly polarized luminescence active chiral metal–organic frameworks for logic devices","Chemical Science","2025","16","24","10742","10749","10.1039/D5SC02334C","","x-ray","1.54184","CuKα","","0.0557","0.0517","","","0.1532","0.1588","","","","","","1.141","","","","has coordinates","300542","2025-07-06","13:45:39",""
"1574605","16.8358","0.0008","21.2426","0.0011","24.1864","0.0011","84.4","0.004","77.881","0.004","89.447","0.004","8416.3","0.7","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C172 H142 Au15 B O3 P6 S4 -","- C172 H142 Au15 B O3 P6 S4 -","- C344 H284 Au30 B2 O6 P12 S8 -","2","1","","Zhu, Chen; Li, Bo; Li, Chen; Lu, Luyao; Li, Hao; Yuan, Xinhua; Kang, Xi; Jiang, De-en; Zhu, Manzhou","Arylation of gold nanoclusters and insights into structure-related CO2 reduction reaction performances","Chemical Science","2025","16","23","10273","10281","10.1039/D5SC01200G","","x-ray","1.54186","CuKα","","0.1051","0.0729","","","0.1778","0.1993","","","","","","0.94","","","","has coordinates","300657","2025-07-06","14:42:49",""
"1574606","16.7395","0.0014","22.413","0.002","23.67","0.002","99.314","0.007","101.816","0.007","97.815","0.007","8445.3","1.3","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C172 H136 Au15 B F6 O3 P6 S4 -","- C172 H136 Au15 B F6 O3 P6 S4 -","- C344 H272 Au30 B2 F12 O6 P12 S8 -","2","1","","Zhu, Chen; Li, Bo; Li, Chen; Lu, Luyao; Li, Hao; Yuan, Xinhua; Kang, Xi; Jiang, De-en; Zhu, Manzhou","Arylation of gold nanoclusters and insights into structure-related CO2 reduction reaction performances","Chemical Science","2025","16","23","10273","10281","10.1039/D5SC01200G","","x-ray","1.54186","CuKα","","0.1101","0.0746","","","0.1878","0.204","","","","","","0.941","","","","has coordinates","300657","2025-07-06","14:42:57",""
"1574607","20.472","0.0011","21.4293","0.0013","22.513","0.0012","115.818","0.004","93.462","0.004","90.36","0.005","8868.6","0.9","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C148 H120 Au15 Cl2 O3 P6 S4 -","- C148 H120 Au15 Cl2 O3 P6 S4 -","- C296 H240 Au30 Cl4 O6 P12 S8 -","2","1","","Zhu, Chen; Li, Bo; Li, Chen; Lu, Luyao; Li, Hao; Yuan, Xinhua; Kang, Xi; Jiang, De-en; Zhu, Manzhou","Arylation of gold nanoclusters and insights into structure-related CO2 reduction reaction performances","Chemical Science","2025","16","23","10273","10281","10.1039/D5SC01200G","","x-ray","1.54186","CuKα","","0.0886","0.0645","","","0.1749","0.1872","","","","","","0.945","","","","has coordinates","300657","2025-07-06","14:42:58",""
"1574608","9.851","0.0003","10.45","0.0003","24.6569","0.0008","102.218","0.001","95.717","0.001","90.27","0.001","2467.55","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H23 B Cl P -","- C32 H23 B Cl P -","- C128 H92 B4 Cl4 P4 -","4","2","","Frey, Nathan C.; Sarkar, Samir Kumar; Dickie, Diane A.; Molino, Andrew; Gilliard, Robert J.","Borinine-FLP ring expansion: isolation of eight-membered B–P rings bridged by μ2 chalcogenide and chloronium ions","Chemical Science","2025","16","24","10857","10866","10.1039/D5SC02000J","","","0.71073","MoKα","","0.0701","0.0528","","","0.1278","0.1389","","","","","","1.08","","","","has coordinates","300539","2025-07-06","13:44:48",""
"1574609","10.5356","0.0004","10.8441","0.0004","11.7844","0.0005","92.322","0.003","97.327","0.003","107.799","0.003","1266.93","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H23 B Cl P S -","- C32 H23 B Cl P S -","- C64 H46 B2 Cl2 P2 S2 -","2","1","","Frey, Nathan C.; Sarkar, Samir Kumar; Dickie, Diane A.; Molino, Andrew; Gilliard, Robert J.","Borinine-FLP ring expansion: isolation of eight-membered B–P rings bridged by μ2 chalcogenide and chloronium ions","Chemical Science","2025","16","24","10857","10866","10.1039/D5SC02000J","","","1.54178","CuKα","","0.071","0.0505","","","0.1252","0.1379","","","","","","1.031","","","","has coordinates","300539","2025-07-06","13:44:48",""
"1574610","10.2944","0.0007","11.0077","0.0006","13.5352","0.0009","112.771","0.002","99.45","0.002","106.35","0.002","1290.76","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H23 B Cl P Se -","- C32 H23 B Cl P Se -","- C64 H46 B2 Cl2 P2 Se2 -","2","1","","Frey, Nathan C.; Sarkar, Samir Kumar; Dickie, Diane A.; Molino, Andrew; Gilliard, Robert J.","Borinine-FLP ring expansion: isolation of eight-membered B–P rings bridged by μ2 chalcogenide and chloronium ions","Chemical Science","2025","16","24","10857","10866","10.1039/D5SC02000J","","","0.71073","MoKα","","0.075","0.0481","","","0.0933","0.1038","","","","","","1.029","","","","has coordinates","300539","2025-07-06","13:44:48",""
"1574611","19.9273","0.001","23.9626","0.0013","23.7599","0.0012","90","","108.182","0.004","90","","10779.1","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C140 H115 B4 O3 P4 S2 -","- C140 H115 B4 O3 P4 S2 -","- C560 H460 B16 O12 P16 S8 -","4","1","","Frey, Nathan C.; Sarkar, Samir Kumar; Dickie, Diane A.; Molino, Andrew; Gilliard, Robert J.","Borinine-FLP ring expansion: isolation of eight-membered B–P rings bridged by μ2 chalcogenide and chloronium ions","Chemical Science","2025","16","24","10857","10866","10.1039/D5SC02000J","","","1.54178","CuKα","","0.1409","0.0844","","","0.2278","0.2679","","","","","","1.04","","","","has coordinates","300539","2025-07-06","13:44:48",""
"1574612","10.3156","0.0002","10.4528","0.0002","12.703","0.0003","92.231","0.002","109.039","0.001","105.061","0.001","1238.79","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H23 B Cl O P -","- C32 H23 B Cl O P -","- C64 H46 B2 Cl2 O2 P2 -","2","1","","Frey, Nathan C.; Sarkar, Samir Kumar; Dickie, Diane A.; Molino, Andrew; Gilliard, Robert J.","Borinine-FLP ring expansion: isolation of eight-membered B–P rings bridged by μ2 chalcogenide and chloronium ions","Chemical Science","2025","16","24","10857","10866","10.1039/D5SC02000J","","","1.54178","CuKα","","0.0597","0.042","","","0.0992","0.1087","","","","","","1.038","","","","has coordinates","300539","2025-07-06","13:44:48",""
"1574613","21.7774","0.0014","19.7933","0.0014","25.0274","0.0019","90","","98.776","0.002","90","","10661.7","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C135 H100 B4 O2 P4 -","- C135 H100 B4 O2 P4 -","- C540 H400 B16 O8 P16 -","4","0.5","","Frey, Nathan C.; Sarkar, Samir Kumar; Dickie, Diane A.; Molino, Andrew; Gilliard, Robert J.","Borinine-FLP ring expansion: isolation of eight-membered B–P rings bridged by μ2 chalcogenide and chloronium ions","Chemical Science","2025","16","24","10857","10866","10.1039/D5SC02000J","","","0.71073","MoKα","","0.1165","0.0734","","","0.1477","0.1657","","","","","","1.042","","","","has coordinates,has disorder","300539","2025-07-06","13:44:48",""
"1574614","19.994","0.0004","23.911","0.0005","23.8368","0.0004","90","","108.362","0.001","90","","10815.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C140 H116 B4 O3 P4 Se2 -","- C140 H116 B4 O3 P4 Se2 -","- C560 H464 B16 O12 P16 Se8 -","4","1","","Frey, Nathan C.; Sarkar, Samir Kumar; Dickie, Diane A.; Molino, Andrew; Gilliard, Robert J.","Borinine-FLP ring expansion: isolation of eight-membered B–P rings bridged by μ2 chalcogenide and chloronium ions","Chemical Science","2025","16","24","10857","10866","10.1039/D5SC02000J","","","1.54178","CuKα","","0.0652","0.0444","","","0.099","0.1107","","","","","","1.038","","","","has coordinates,has disorder","300539","2025-07-06","13:44:48",""
"1574615","12.9579","0.0004","14.3772","0.0005","18.444","0.0007","74.792","0.001","71.244","0.001","63.367","0.001","2879.91","0.18","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C138 H97 B4 Cl2 F13 N2 O8 P4 S4 -","- C138 H97 B4 Cl2 F13 N2 O8 P4 S4 -","- C138 H97 B4 Cl2 F13 N2 O8 P4 S4 -","1","0.5","","Frey, Nathan C.; Sarkar, Samir Kumar; Dickie, Diane A.; Molino, Andrew; Gilliard, Robert J.","Borinine-FLP ring expansion: isolation of eight-membered B–P rings bridged by μ2 chalcogenide and chloronium ions","Chemical Science","2025","16","24","10857","10866","10.1039/D5SC02000J","","","0.71073","MoKα","","0.0656","0.0516","","","0.1344","0.1452","","","","","","1.045","","","","has coordinates,has disorder","300539","2025-07-06","13:44:48",""
"1574617","14.4106","0.0001","15.4214","0.0001","24.1204","0.0002","101.438","0.001","105.322","0.001","103.955","0.001","4816.59","0.08","150","0.1","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C47 H76 Al K N2 O Si2 -","- C47 H76 Al K N2 O Si2 -","- C188 H304 Al4 K4 N8 O4 Si8 -","4","2","","Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie","Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation","Chemical Science","2025","16","24","10750","10758","10.1039/D5SC02682B","","","1.54184","CuKα","","0.0385","0.0356","","","0.0946","0.0965","","","","","","1.068","","","","has coordinates,has disorder","300543","2025-07-06","13:46:27",""
"1574618","16.7297","0.0003","22.5628","0.0002","17.7034","0.0003","90","","104.568","0.002","90","","6467.64","0.18","150","0.1","150.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H106 Al K N2 O7 Si2 -","- C58 H106 Al K N2 O7 Si2 -","- C232 H424 Al4 K4 N8 O28 Si8 -","4","1","","Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie","Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation","Chemical Science","2025","16","24","10750","10758","10.1039/D5SC02682B","","","1.54184","CuKα","","0.0719","0.0581","","","0.1506","0.1598","","","","","","1.036","","","","has coordinates,has disorder","300543","2025-07-06","13:46:27",""
"1574619","22.4566","0.0003","18.6939","0.0002","23.7291","0.0002","90","","107.299","0.001","90","","9510.91","0.19","150","0.1","150.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C94 H152 Al2 K2 N4 O2 Si4 -","- C94 H152 Al2 K2 N4 O2 Si4 -","- C376 H608 Al8 K8 N16 O8 Si16 -","4","0.5","","Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie","Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation","Chemical Science","2025","16","24","10750","10758","10.1039/D5SC02682B","","","1.54184","CuKα","","0.0694","0.0554","","","0.1372","0.1444","","","","","","1.023","","","","has coordinates","300543","2025-07-06","13:46:27",""
"1574620","13.527","0.0001","23.8483","0.0001","20.0037","0.0001","90","","90","","90","","6453.11","0.06","150","0.1","150.15","0.1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C60 H102 Al K N2 O7 Si2 -","- C60 H102 Al K N2 O7 Si2 -","- C240 H408 Al4 K4 N8 O28 Si8 -","4","0.5","","Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie","Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation","Chemical Science","2025","16","24","10750","10758","10.1039/D5SC02682B","","neutron","1.003","neutron","","0.1732","0.1061","","","0.2347","0.2837","","","","","","1.055","","","","has coordinates,has disorder","300543","2025-07-06","13:46:27",""
"1574621","13.3496","0.0002","23.9758","0.0006","20.1328","0.0003","90","","90","","90","","6443.9","0.2","150.01","0.1","150.01","0.1","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C59 H99 Al F K N2 O7 Si2 -","- C59 H99 Al F K N2 O7 Si2 -","- C236 H396 Al4 F4 K4 N8 O28 Si8 -","4","0.5","","Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie","Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation","Chemical Science","2025","16","24","10750","10758","10.1039/D5SC02682B","","x-ray","1.54184","CuKα","","0.1109","0.0945","","","0.2662","0.2831","","","","","","1.055","","","","has coordinates,has disorder","300543","2025-07-06","13:46:27",""
"1574622","15.8565","0.0003","22.3423","0.0005","19.5531","0.0005","90","","102.317","0.002","90","","6767.6","0.3","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60.5 H112 Al K N2 O7 Si2 -","- C60.5 H112 Al K N2 O7 Si2 -","- C242 H448 Al4 K4 N8 O28 Si8 -","4","1","","Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie","Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation","Chemical Science","2025","16","24","10750","10758","10.1039/D5SC02682B","","x-ray","1.54184","CuKα","","0.1095","0.0851","","","0.2492","0.2762","","","","","","1.04","","","","has coordinates,has disorder","300543","2025-07-06","13:46:27",""
"1574623","14.8101","0.0004","24.0778","0.0003","22.5799","0.0004","90","","98.984","0.002","90","","7953.1","0.3","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C74 H130 Al K N2 O7 Si2 -","- C74 H130 Al K N2 O7 Si2 -","- C296 H520 Al4 K4 N8 O28 Si8 -","4","1","","Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie","Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation","Chemical Science","2025","16","24","10750","10758","10.1039/D5SC02682B","","x-ray","1.54184","CuKα","","0.1463","0.1124","","","0.2972","0.3242","","","","","","1.049","","","","has coordinates,has disorder","300543","2025-07-06","13:46:27",""
"1574624","13.527","0.0001","23.8483","0.0001","20.0037","0.0001","90","","90","","90","","6453.11","0.06","150","0.1","150","0.1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C60 H102 Al K N2 O7 Si2 -","- C60 H102 Al K N2 O7 Si2 -","- C240 H408 Al4 K4 N8 O28 Si8 -","4","0.5","","Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie","Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation","Chemical Science","2025","16","24","10750","10758","10.1039/D5SC02682B","","x-ray","1.54184","CuKα","","0.0795","0.0772","","","0.224","0.2269","","","","","","1.082","","","","has coordinates,has disorder","300543","2025-07-06","13:46:27",""
"1574625","20.4545","0.0003","14.2108","0.0002","45.7301","0.0008","90","","96.745","0.002","90","","13200.6","0.4","150","0.1","150","0.1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C151 H177 Al2 K2 N4 O4 -","- C151 H177 Al2 K2 N4 O4 -","- C604 H708 Al8 K8 N16 O16 -","4","1","","Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie","Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation","Chemical Science","2025","16","24","10750","10758","10.1039/D5SC02682B","","x-ray","1.54184","CuKα","","0.1149","0.0863","","","0.2152","0.2317","","","","","","1.093","","","","has coordinates,has disorder","300543","2025-07-06","13:46:27",""
"1574626","11.5727","0.0001","26.0715","0.0004","28.9632","0.0004","88.405","0.001","79.773","0.001","89.78","0.001","8596.53","0.19","150.01","0.1","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C175 H253 Al2 K2 N4 O16 Si4 -","- C175 H253 Al2 K2 N4 O16 Si4 -","- C350 H506 Al4 K4 N8 O32 Si8 -","2","1","","Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie","Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation","Chemical Science","2025","16","24","10750","10758","10.1039/D5SC02682B","","","1.54184","CuKα","","0.0852","0.0745","","","0.2061","0.217","","","","","","1.021","","","","has coordinates,has disorder","300543","2025-07-06","13:46:27",""
"1574627","22.7671","0.0008","22.7671","0.0008","14.8686","0.0007","90","","90","","90","","7707","0.5","170","2","170","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C43 H51 Cl2 Co N3 -","- C43 H51 Cl2 Co N3 -","- C344 H408 Cl16 Co8 N24 -","8","0.5","","Wang, Yizhou; Wang, Zheng; Zhang, Qiuyue; Wang, Quanchao; Solan, Gregory A.; Duan, Xuelei; Ma, Yanping; Gao, Jiahao; Zhou, Zhe; Sun, Wen-Hua","Ultra-low-molecular-weight PE wax using a cyclohexyl-fused bis(imino)pyridine-cobalt catalyst functionalized with a remote para-phenyl group","Polymer Chemistry","2025","16","23","2718","2731","10.1039/D5PY00358J","","x-ray","1.54184","CuKα","","0.0784","0.0627","","","0.1856","0.2072","","","","","","0.797","","","","has coordinates","301188","2025-07-06","18:03:13",""
"1574628","33.7269","0.0006","32.778","0.0006","14.0568","0.0003","90","","90","","90","","15539.8","0.5","169.99","0.1","169.99","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C37 H39 Cl2 Co N3 -","- C37 H39 Cl2 Co N3 -","- C592 H624 Cl32 Co16 N48 -","16","1","","Wang, Yizhou; Wang, Zheng; Zhang, Qiuyue; Wang, Quanchao; Solan, Gregory A.; Duan, Xuelei; Ma, Yanping; Gao, Jiahao; Zhou, Zhe; Sun, Wen-Hua","Ultra-low-molecular-weight PE wax using a cyclohexyl-fused bis(imino)pyridine-cobalt catalyst functionalized with a remote para-phenyl group","Polymer Chemistry","2025","16","23","2718","2731","10.1039/D5PY00358J","","x-ray","1.54184","CuKα","","0.0715","0.0661","","","0.187","0.1925","","","","","","1.052","","","","has coordinates,has disorder","301188","2025-07-06","18:03:13",""
"1574638","8.9792","0.001","6.2593","0.0006","11.4802","0.0013","90","","111.827","0.013","90","","598.97","0.12","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H16 O2 -","- C13 H16 O2 -","- C26 H32 O4 -","2","1","","Shao, Sufang; Yuan, Yang; Schmoll, Alban; Wu, Xiao-Feng","Copper-catalyzed asymmetric carbonylative hydroallylation of vinylarenes","Chemical Science","2025","16","24","10951","10956","10.1039/D5SC02421H","","x-ray","1.54184","CuKα","","0.059","0.0429","","","0.1183","0.1383","","","","","","0.929","","","","has coordinates","300545","2025-07-06","13:46:53",""
"1574639","7.7707","0.0003","8.041","0.0003","19.5459","0.0007","90","","90","","90","","1221.31","0.08","99.99","0.1","99.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H14 Br3 Mn N O -","- C6 H14 Br3 Mn N O -","- C24 H56 Br12 Mn4 N4 O4 -","4","1","","Wang, Fei; Li, Xingjun; Chen, Tianqi; Wang, Liqing; Li, Chenliang; Zhang, Wei; Yuan, Wen; Lu, Shan; Li, Lina; Chen, Xueyuan","A strategy of chiral cation coordination to achieve a large luminescence dissymmetry factor in 1D hybrid manganese halides","Chemical Science","2025","16","24","11012","11020","10.1039/D5SC01615K","","x-ray","0.71073","MoKα","","0.0275","0.0215","","","0.0401","0.041","","","","","","1.002","","","","has coordinates","300548","2025-07-06","13:47:43",""
"1574640","7.7824","0.0004","8.0325","0.0004","19.5413","0.0008","90","","90","","90","","1221.57","0.1","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H14 Br3 Mn N O -","- C6 H14 Br3 Mn N O -","- C24 H56 Br12 Mn4 N4 O4 -","4","1","","Wang, Fei; Li, Xingjun; Chen, Tianqi; Wang, Liqing; Li, Chenliang; Zhang, Wei; Yuan, Wen; Lu, Shan; Li, Lina; Chen, Xueyuan","A strategy of chiral cation coordination to achieve a large luminescence dissymmetry factor in 1D hybrid manganese halides","Chemical Science","2025","16","24","11012","11020","10.1039/D5SC01615K","","x-ray","0.71073","MoKα","","0.0394","0.0329","","","0.0711","0.0737","","","","","","1.045","","","","has coordinates","300548","2025-07-06","13:47:43",""
"1574641","13.099","0.0003","13.099","0.0003","13.416","0.0004","90","","90","","120","","1993.56","0.09","200","","200","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C9 H23 Cd5 N37 O10 -","- C9 H23.0004 Cd5 N37 O10 -","- C18 H46.0008 Cd10 N74 O20 -","2","0.0833333","","Wang, Jia-Wen; Fan, Shu-Cong; Yuan, Wenyu; Wang, Ying; Zhai, Quan-Guo","Inter-cluster-linker-absence-enabled sub-Ångstrom pore modulation in a metal–organic framework for multi-scenario CO2 capture","Chemical Science","2025","16","25","11447","11455","10.1039/D5SC02144H","","","0.71073","MoKα","","0.0752","0.0752","","","0.1903","0.1903","","","","","","1.15","","","","has coordinates,has disorder","300621","2025-07-06","14:26:51",""
"1574650","11.5762","0.0006","19.2982","0.0011","13.3269","0.0007","90","","99.97","0.002","90","","2932.3","0.3","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H41 B N2 -","- C36 H41 B N2 -","- C144 H164 B4 N8 -","4","1","","Zhang, Chonghe; Dabringhaus, Philipp; Tra, Bi Youan E.; Gilliard, Robert J.; Cummins, Christopher C.","Hexamethylbenzene elimination enables the generation of transient, sterically unhindered multiply bonded boron species","Chemical Science","2025","16","26","11841","11848","10.1039/D5SC02645H","","","0.71073","MoKα","","0.0731","0.044","","","0.1089","0.1159","","","","","","1.002","","","","has coordinates","300564","2025-07-06","13:59:58",""
"1574651","5.7579","0.0004","15.6788","0.0011","16.3799","0.0011","90","","94.763","0.003","90","","1473.62","0.18","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 B N4 -","- C18 H15 B N4 -","- C72 H60 B4 N16 -","4","1","","Zhang, Chonghe; Dabringhaus, Philipp; Tra, Bi Youan E.; Gilliard, Robert J.; Cummins, Christopher C.","Hexamethylbenzene elimination enables the generation of transient, sterically unhindered multiply bonded boron species","Chemical Science","2025","16","26","11841","11848","10.1039/D5SC02645H","","","0.71073","MoKα","","0.0722","0.0469","","","0.0996","0.1141","","","","","","1.05","","","","has coordinates","300564","2025-07-06","14:00:00",""
"1574652","10.2681","0.0002","17.857","0.0004","15.4419","0.0003","90","","100.302","0.001","90","","2785.74","0.1","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H44 B N -","- C35 H44 B N -","- C140 H176 B4 N4 -","4","1","","Zhang, Chonghe; Dabringhaus, Philipp; Tra, Bi Youan E.; Gilliard, Robert J.; Cummins, Christopher C.","Hexamethylbenzene elimination enables the generation of transient, sterically unhindered multiply bonded boron species","Chemical Science","2025","16","26","11841","11848","10.1039/D5SC02645H","","","0.71073","MoKα","","0.0521","0.0457","","","0.1124","0.1172","","","","","","1.072","","","","has coordinates","300564","2025-07-06","14:00:01",""
"1574653","11.0019","0.0008","13.4954","0.0011","16.5173","0.0012","90","","100.269","0.003","90","","2413.1","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 B N O -","- C28 H34 B N O -","- C112 H136 B4 N4 O4 -","4","1","","Zhang, Chonghe; Dabringhaus, Philipp; Tra, Bi Youan E.; Gilliard, Robert J.; Cummins, Christopher C.","Hexamethylbenzene elimination enables the generation of transient, sterically unhindered multiply bonded boron species","Chemical Science","2025","16","26","11841","11848","10.1039/D5SC02645H","","","0.71073","MoKα","","0.0497","0.0475","","","0.1246","0.1268","","","","","","1.051","","","","has coordinates","300564","2025-07-06","14:00:09",""
"1574654","10.8373","0.0005","12.1312","0.0007","13.6657","0.0007","84.39","0.002","72.008","0.002","68.497","0.002","1589.59","0.15","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C78 H76 B2 N6 -","- C78 H76 B2 N6 -","- C78 H76 B2 N6 -","1","0.5","","Zhang, Chonghe; Dabringhaus, Philipp; Tra, Bi Youan E.; Gilliard, Robert J.; Cummins, Christopher C.","Hexamethylbenzene elimination enables the generation of transient, sterically unhindered multiply bonded boron species","Chemical Science","2025","16","26","11841","11848","10.1039/D5SC02645H","","","0.71073","MoKα","","0.0621","0.0604","","","0.1492","0.1507","","","","","","1.021","","","","has coordinates,has disorder","300564","2025-07-06","14:00:10",""
"1574655","20.64","0.002","13.099","0.002","22.222","0.003","90","","96.787","0.007","90","","5965.9","1.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H43 B N2 O -","- C37 H43 B N2 O -","- C296 H344 B8 N16 O8 -","8","1","","Zhang, Chonghe; Dabringhaus, Philipp; Tra, Bi Youan E.; Gilliard, Robert J.; Cummins, Christopher C.","Hexamethylbenzene elimination enables the generation of transient, sterically unhindered multiply bonded boron species","Chemical Science","2025","16","26","11841","11848","10.1039/D5SC02645H","","","0.71073","MoKα","","0.0787","0.0529","","","0.1245","0.1426","","","","","","1.038","","","","has coordinates","300564","2025-07-06","14:00:11",""
"1574656","13.063","0.003","15.942","0.003","21.12","0.005","92.077","0.008","107.094","0.008","109.231","0.007","3926","1.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H64 B3 F15 N2 -","- C72 H64 B3 F15 N2 -","- C144 H128 B6 F30 N4 -","2","1","","Zhang, Chonghe; Dabringhaus, Philipp; Tra, Bi Youan E.; Gilliard, Robert J.; Cummins, Christopher C.","Hexamethylbenzene elimination enables the generation of transient, sterically unhindered multiply bonded boron species","Chemical Science","2025","16","26","11841","11848","10.1039/D5SC02645H","","","0.71073","MoKα","","0.092","0.0713","","","0.1747","0.1897","","","","","","1.02","","","","has coordinates,has disorder","300564","2025-07-06","14:00:20",""
"1574657","17.458","0.0013","14.7741","0.0011","16.2688","0.0012","90","","104.417","0.002","90","","4064","0.5","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H50 B N3 -","- C45 H50 B N3 -","- C180 H200 B4 N12 -","4","1","","Zhang, Chonghe; Dabringhaus, Philipp; Tra, Bi Youan E.; Gilliard, Robert J.; Cummins, Christopher C.","Hexamethylbenzene elimination enables the generation of transient, sterically unhindered multiply bonded boron species","Chemical Science","2025","16","26","11841","11848","10.1039/D5SC02645H","","","0.71073","MoKα","","0.0943","0.0593","","","0.1312","0.1502","","","","","","1.021","","","","has coordinates","300564","2025-07-06","14:00:21",""
"1574658","22.8543","0.0011","7.3211","0.0003","19.097","0.001","90","","126.949","0.003","90","","2553.6","0.2","220","","220","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C120 H128 O24 -","8","2","","Pereira, Joan; Casaretto, Nicolas; Frison, Gilles; Nay, Bastien","Bio-inspired total synthesis of daphnepapytone A","Chemical Science","2025","16","25","11375","11380","10.1039/D5SC02953H","","x-ray","0.71073","MoKα","","0.045","0.0357","","","0.0858","0.0882","","","","","","0.988","","","","has coordinates","300622","2025-07-06","14:27:07",""
"1574659","7.2282","0.0008","14.1294","0.0013","13.1197","0.0016","90","","90.972","0.009","90","","1339.7","0.3","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","2","","Pereira, Joan; Casaretto, Nicolas; Frison, Gilles; Nay, Bastien","Bio-inspired total synthesis of daphnepapytone A","Chemical Science","2025","16","25","11375","11380","10.1039/D5SC02953H","","x-ray","0.71073","MoKα","","0.1498","0.1276","","","0.3007","0.318","","","","","","1.169","","","","has coordinates","300622","2025-07-06","14:27:07",""
"1574660","17.7579","0.0018","19.141","0.003","7.3717","0.0008","90","","90","","90","","2505.7","0.5","150","","150","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C120 H144 O16 -","8","2","","Pereira, Joan; Casaretto, Nicolas; Frison, Gilles; Nay, Bastien","Bio-inspired total synthesis of daphnepapytone A","Chemical Science","2025","16","25","11375","11380","10.1039/D5SC02953H","","x-ray","0.71073","MoKα","","0.1761","0.081","","","0.1864","0.2285","","","","","","0.9","","","","has coordinates","300622","2025-07-06","14:27:07",""
"1574661","7.6126","0.0005","7.6126","0.0005","18.9125","0.0015","90","","90","","120","","949.17","0.12","150","","150","","","","","","","","","3","P 32","P 32","145","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C45 H54 O9 -","3","1","","Pereira, Joan; Casaretto, Nicolas; Frison, Gilles; Nay, Bastien","Bio-inspired total synthesis of daphnepapytone A","Chemical Science","2025","16","25","11375","11380","10.1039/D5SC02953H","","x-ray","0.71073","MoKα","","0.0406","0.0335","","","0.0718","0.0727","","","","","","0.985","","","","has coordinates","300622","2025-07-06","14:27:07",""
"1574662","9.7955","0.001","10.5156","0.0016","12.1712","0.0012","90","","90","","90","","1253.7","0.3","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C60 H72 O8 -","4","1","","Pereira, Joan; Casaretto, Nicolas; Frison, Gilles; Nay, Bastien","Bio-inspired total synthesis of daphnepapytone A","Chemical Science","2025","16","25","11375","11380","10.1039/D5SC02953H","","x-ray","0.71073","MoKα","","0.0494","0.0376","","","0.083","0.0855","","","","","","0.972","","","","has coordinates","300622","2025-07-06","14:27:07",""
"1574663","9.4319","0.0003","5.7056","0.0002","23.0001","0.0006","90","","95.478","0.002","90","","1232.09","0.07","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C60 H72 O8 -","4","2","","Pereira, Joan; Casaretto, Nicolas; Frison, Gilles; Nay, Bastien","Bio-inspired total synthesis of daphnepapytone A","Chemical Science","2025","16","25","11375","11380","10.1039/D5SC02953H","","x-ray","0.71073","MoKα","","0.0397","0.035","","","0.0963","0.0981","","","","","","1.067","","","","has coordinates","300622","2025-07-06","14:27:07",""
"1574664","7.43","0.0006","10.0076","0.0008","14.9814","0.0012","96.641","0.006","101.339","0.006","99.843","0.007","1063.22","0.15","150","","150","","","","","","","","","4","P 1","P 1","1","","","","- C21 H34 O2 Si -","- C21 H34 O2 Si -","- C42 H68 O4 Si2 -","2","2","","Pereira, Joan; Casaretto, Nicolas; Frison, Gilles; Nay, Bastien","Bio-inspired total synthesis of daphnepapytone A","Chemical Science","2025","16","25","11375","11380","10.1039/D5SC02953H","","x-ray","0.71073","MoKα","","0.096","0.0713","","","0.1761","0.1893","","","","","","0.961","","","","has coordinates,has disorder","300622","2025-07-06","14:27:07",""
"1574665","8.8918","0.0003","10.034","0.0004","13.7443","0.0006","90","","90","","90","","1226.27","0.08","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","1","","Pereira, Joan; Casaretto, Nicolas; Frison, Gilles; Nay, Bastien","Bio-inspired total synthesis of daphnepapytone A","Chemical Science","2025","16","25","11375","11380","10.1039/D5SC02953H","","x-ray","0.71073","MoKα","","0.0388","0.0355","","","0.0976","0.0988","","","","","","1.095","","","","has coordinates","300622","2025-07-06","14:27:07",""
"1574666","8.2636","0.0003","10.5834","0.0004","12.5316","0.0004","72.073","0.001","74.008","0.001","67.285","0.001","946.44","0.06","300","2","300","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N2 O6 S -","- C19 H18 N2 O6 S -","- C38 H36 N4 O12 S2 -","2","1","","Morales-Ortega, Guillermo; Merino, Estíbaliz; Carreras, Javier","Visible-light-initiated metal-free Csp3–Csp3 to Csp3–N conversion in homobenzylic sulfonamides with N-iodoimides","Chemical Science","2025","16","25","11413","11418","10.1039/D5SC02168E","","","1.54178","CuKα","","0.0533","0.0458","","","0.1184","0.1286","","","","","","1.061","","","","has coordinates","300616","2025-07-06","14:22:43",""
"1574667","17.5314","0.0003","17.5314","0.0003","17.5314","0.0003","90","","90","","90","","5388.28","0.16","150","0.2","150","0.2","","","","","","","","5","F -4 3 c","F -4a 2 3","219","","","","- C12 H36 K4 O4 Si4 -","- C12 H36 K4 O4 Si4 -","- C96 H288 K32 O32 Si32 -","8","0.0833333","","Yang, Xiao; Davison, Nathan; Lowe, Matthew E.; Waddell, Paul G.; Armstrong, Roly J.; McMullin, Claire L.; Hopkinson, Matthew N.; Lu, Erli","CO methylenation mediated by organo-alkali metal reagents: metal identity and ligand effects","Chemical Science","2025","16","24","11151","11160","10.1039/D5SC02313K","","x-ray","1.54184","CuKα","","0.0194","0.0185","","","0.051","0.0517","","","","","","1.12","","","","has coordinates","300540","2025-07-06","13:45:00",""
"1574668","12.8781","0.0002","16.8307","0.0002","19.5417","0.0002","100.859","0.001","90.423","0.001","94.841","0.001","4143.76","0.09","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H112 K4 O4 Si4 -","- C82 H112 K4 O4 Si4 -","- C164 H224 K8 O8 Si8 -","2","1","","Yang, Xiao; Davison, Nathan; Lowe, Matthew E.; Waddell, Paul G.; Armstrong, Roly J.; McMullin, Claire L.; Hopkinson, Matthew N.; Lu, Erli","CO methylenation mediated by organo-alkali metal reagents: metal identity and ligand effects","Chemical Science","2025","16","24","11151","11160","10.1039/D5SC02313K","","x-ray","1.54184","CuKα","","0.0596","0.0486","","","0.1157","0.121","","","","","","1.062","","","","has coordinates,has disorder","300540","2025-07-06","13:45:01",""
"1574669","13.6332","0.0002","18.0507","0.0003","21.0915","0.0003","90","","95.283","0.001","90","","5168.33","0.14","110.07","0.12","110.07","0.12","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H68 B10 Bi I N4 Si2 -","- C32 H56 B10 Bi I N4 Si2 -","- C128 H224 B40 Bi4 I4 N16 Si8 -","4","1","","Xu, Jian; Yao, Shenglai; Postils, Verònica; Matito, Eduard; Lorent, Christian; Driess, Matthias","Isolable monoatomic monovalent bismuth complexes with a redox non-innocent bis-silylenyl carborane ligand","Chemical Science","2025","16","24","10826","10832","10.1039/D5SC02644J","","","1.54184","CuKα","","0.0345","0.0319","","","0.08","0.0818","","","","","","1.027","","","","has coordinates","300538","2025-07-06","13:44:20",""
"1574670","10.0567","0.0004","14.8404","0.0006","19.9981","0.0008","70.8","0.004","86.199","0.003","84.365","0.003","2803.2","0.2","111.5","0.6","111.5","0.6","","","","","","","","8","P -1","-P 1","2","","","","- C88 H160 B20 Bi2 K2 N8 O6 Si4 -","- C88 H160 B20 Bi2 K2 N8 O6 Si4 -","- C88 H160 B20 Bi2 K2 N8 O6 Si4 -","1","0.5","","Xu, Jian; Yao, Shenglai; Postils, Verònica; Matito, Eduard; Lorent, Christian; Driess, Matthias","Isolable monoatomic monovalent bismuth complexes with a redox non-innocent bis-silylenyl carborane ligand","Chemical Science","2025","16","24","10826","10832","10.1039/D5SC02644J","","","1.54184","CuKα","","0.0526","0.0448","","","0.1134","0.1207","","","","","","1.034","","","","has coordinates,has disorder","300538","2025-07-06","13:44:21",""
"1574671","15.6606","0.0001","10.1951","0.0001","27.7238","0.0002","90","","93.696","0.001","90","","4417.21","0.06","110","1","110.15","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C33 H56 B10 Bi F3 N4 O3 S Si2 -","- C33 H56 B10 Bi F3 N4 O3 S Si2 -","- C132 H224 B40 Bi4 F12 N16 O12 S4 Si8 -","4","1","","Xu, Jian; Yao, Shenglai; Postils, Verònica; Matito, Eduard; Lorent, Christian; Driess, Matthias","Isolable monoatomic monovalent bismuth complexes with a redox non-innocent bis-silylenyl carborane ligand","Chemical Science","2025","16","24","10826","10832","10.1039/D5SC02644J","","","1.54184","CuKα","","0.024","0.0228","","","0.0591","0.06","","","","","","1.04","","","","has coordinates","300538","2025-07-06","13:44:21",""
"1574672","23.2329","0.0004","18.601","0.0004","13.6308","0.0003","90","","90","","90","","5890.6","0.2","110.07","0.12","111.15","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C46 H72 B10 Bi N4 Si2 -","- C32 H56 B10 Bi N4 Si2 -","- C128 H224 B40 Bi4 N16 Si8 -","4","0.25","","Xu, Jian; Yao, Shenglai; Postils, Verònica; Matito, Eduard; Lorent, Christian; Driess, Matthias","Isolable monoatomic monovalent bismuth complexes with a redox non-innocent bis-silylenyl carborane ligand","Chemical Science","2025","16","24","10826","10832","10.1039/D5SC02644J","","","1.54184","CuKα","","0.0611","0.0561","","","0.1501","0.1545","","","","","","1.096","","","","has coordinates,has disorder","300538","2025-07-06","13:44:21",""
"1574673","16.1469","0.0004","18.081","0.0003","18.3593","0.0004","90","","98.144","0.002","90","","5306","0.2","111.3","0.6","111.15","","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C36 H61 B10 Bi Cl2 F6 N4 O6 S2 Si2 -","- C36 H61 B10 Bi Cl2 F6 N4 O6 S2 Si2 -","- C144 H244 B40 Bi4 Cl8 F24 N16 O24 S8 Si8 -","4","1","","Xu, Jian; Yao, Shenglai; Postils, Verònica; Matito, Eduard; Lorent, Christian; Driess, Matthias","Isolable monoatomic monovalent bismuth complexes with a redox non-innocent bis-silylenyl carborane ligand","Chemical Science","2025","16","24","10826","10832","10.1039/D5SC02644J","","","1.54184","CuKα","","0.0799","0.062","","","0.1785","0.2149","","","","","","1.042","","","","has coordinates,has disorder","300538","2025-07-06","13:44:21",""
"1574674","14.6563","0.0015","21.5556","0.0019","11.8123","0.0012","90","","102.996","0.003","90","","3636.2","0.6","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H12 N5 O16 Zr -","- C35 H12 N5 O16 Zr -","- C140 H48 N20 O64 Zr4 -","4","1","","Li, Ying-Lin; Li, Ning; Mei, Zhi-Bin; Li, Jun-Rong; Yao, Su-Juan; Yu, Fei; Li, Shun-Li; Lin, Jiao-Min; Liu, Jiang; Lan, Ya-Qian","Achieving highly efficient carbon radical-mediated cross-coupling reaction in a confined radical microenvironment within a metal–organic framework","Chemical Science","2025","16","26","11939","11948","10.1039/D5SC01242B","","","0.71073","MoKα","","0.0896","0.0642","","","0.1597","0.1763","","","","","","1.024","","","","has coordinates","300569","2025-07-06","14:02:30",""
"1574675","14.6361","0.0014","21.52","0.002","11.8409","0.0013","90","","103.015","0.004","90","","3633.7","0.6","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H19 Hf0.99 N6 O17 -","- C38 H19 Hf0.986 N6 O17 -","- C152 H76 Hf3.944 N24 O68 -","4","1","","Li, Ying-Lin; Li, Ning; Mei, Zhi-Bin; Li, Jun-Rong; Yao, Su-Juan; Yu, Fei; Li, Shun-Li; Lin, Jiao-Min; Liu, Jiang; Lan, Ya-Qian","Achieving highly efficient carbon radical-mediated cross-coupling reaction in a confined radical microenvironment within a metal–organic framework","Chemical Science","2025","16","26","11939","11948","10.1039/D5SC01242B","","","0.71073","MoKα","","0.0276","0.0258","","","0.0672","0.0682","","","","","","1.077","","","","has coordinates","300569","2025-07-06","14:02:31",""
"1574676","67.056","0.008","6.1193","0.0007","11.4807","0.0013","90","","90","","90","","4710.9","0.9","100","2","100","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C12 H23 N14 O16 Y -","- C12 H23 N14 O16 Y -","- C96 H184 N112 O128 Y8 -","8","0.5","","Zhang, Jing; Liu, Yuxiao; Wang, Fangyan; Gong, Pifu; Li, Zhaoyi; Zhang, Xinyuan; Liang, Fei; Guo, Shu; Hu, Zhanggui; Wu, Yicheng","“Three functions in one”: multifunctional rare-earth cyamelurates with magnetism, luminescence, and giant optical nonlinearity","Chemical Science","2025","16","24","10983","10989","10.1039/D5SC01230A","","","0.71073","MoKα","","0.0801","0.0728","","","0.215","0.2251","","","","","","1.094","","","","has coordinates","300549","2025-07-06","13:47:55",""
"1574677","66.982","0.003","6.1537","0.0002","11.6511","0.0004","90","","90","","90","","4802.4","0.3","273.15","","273.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C12 H23 Lu N14 O16 -","- C12 H23 Lu N14 O16 -","- C96 H184 Lu8 N112 O128 -","8","0.5","","Zhang, Jing; Liu, Yuxiao; Wang, Fangyan; Gong, Pifu; Li, Zhaoyi; Zhang, Xinyuan; Liang, Fei; Guo, Shu; Hu, Zhanggui; Wu, Yicheng","“Three functions in one”: multifunctional rare-earth cyamelurates with magnetism, luminescence, and giant optical nonlinearity","Chemical Science","2025","16","24","10983","10989","10.1039/D5SC01230A","","","0.71073","MoKα","","0.0532","0.0492","","","0.1496","0.1538","","","","","","1.146","","","","has coordinates","300549","2025-07-06","13:47:57",""
"1574678","67.4247","0.0014","6.1474","0.0001","11.6319","0.0003","90","","90","","90","","4821.27","0.18","273.15","","273.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C12 H23 Gd N14 O16 -","- C12 H23 Gd N14 O16 -","- C96 H184 Gd8 N112 O128 -","8","0.5","","Zhang, Jing; Liu, Yuxiao; Wang, Fangyan; Gong, Pifu; Li, Zhaoyi; Zhang, Xinyuan; Liang, Fei; Guo, Shu; Hu, Zhanggui; Wu, Yicheng","“Three functions in one”: multifunctional rare-earth cyamelurates with magnetism, luminescence, and giant optical nonlinearity","Chemical Science","2025","16","24","10983","10989","10.1039/D5SC01230A","","","0.71073","MoKα","","0.0645","0.0566","","","0.1732","0.1808","","","","","","1.13","","","","has coordinates","300549","2025-07-06","13:47:57",""
"1574679","9.06","0.004","10.028","0.005","13.559","0.006","90","","109.52","","90","","1161.1","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H21 Br N O -","- C8 H21 Br N O -","- C32 H84 Br4 N4 O4 -","4","1","","Li, Anze; Zhao, Zihao; Yang, Guangxin; Zhang, Qiang; Chen, Xiang; Yuan, Wang Zhang","Polymorphism and phase transformation tuned luminescence and mechanistic insights in nonconventional luminophores","Chemical Science","2025","16","25","11530","11538","10.1039/D5SC02250A","","","1.54178","CuKα","","0.0383","0.0291","","","0.0789","0.0831","","","","","","1.093","","","","has coordinates","300615","2025-07-06","14:21:56",""
"1574680","11.9427","0.0002","11.6291","0.0002","28.3098","0.0004","90","","90","","90","","3931.75","0.11","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","10-Br-b","","- C16 H38 Br2 N2 -","- C16 H38 Br2 N2 -","- C128 H304 Br16 N16 -","8","1","","Li, Anze; Zhao, Zihao; Yang, Guangxin; Zhang, Qiang; Chen, Xiang; Yuan, Wang Zhang","Polymorphism and phase transformation tuned luminescence and mechanistic insights in nonconventional luminophores","Chemical Science","2025","16","25","11530","11538","10.1039/D5SC02250A","","","1.54184","CuKα","","0.0265","0.0238","","","0.0564","0.0578","","","","","","1.01","","","","has coordinates","300615","2025-07-06","14:21:57",""
"1574681","7.1074","0.0004","9.9391","0.0006","10.6725","0.0007","66.333","0.003","86.755","0.002","85.466","0.002","688.09","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","10-I-MeCN","","- C20 H44 I2 N4 -","- C20 H44 I2 N4 -","- C20 H44 I2 N4 -","1","0.5","","Li, Anze; Zhao, Zihao; Yang, Guangxin; Zhang, Qiang; Chen, Xiang; Yuan, Wang Zhang","Polymorphism and phase transformation tuned luminescence and mechanistic insights in nonconventional luminophores","Chemical Science","2025","16","25","11530","11538","10.1039/D5SC02250A","","","0.71073","MoKα","","0.0303","0.0246","","","0.0524","0.0571","","","","","","1.019","","","","has coordinates","300615","2025-07-06","14:22:06",""
"1574682","18.646","0.003","13.3913","0.0014","14.6422","0.0018","90","","135.346","0.003","90","","2569.6","0.6","175","2","175","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","10-I-MeOH","","- C16 H38 I2 N2 -","- C16 H38 I2 N2 -","- C64 H152 I8 N8 -","4","0.5","","Li, Anze; Zhao, Zihao; Yang, Guangxin; Zhang, Qiang; Chen, Xiang; Yuan, Wang Zhang","Polymorphism and phase transformation tuned luminescence and mechanistic insights in nonconventional luminophores","Chemical Science","2025","16","25","11530","11538","10.1039/D5SC02250A","","","0.71073","MoKα","","0.03","0.027","","","0.0706","0.0737","","","","","","1.038","","","","has coordinates","300615","2025-07-06","14:22:09",""
"1574683","7.9725","0.0003","10.1116","0.0002","12.9668","0.0003","90","","103.377","0.003","90","","1016.95","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","8-Br-a","","- C14 H38 Br2 N2 O2 -","- C14 H38 Br2 N2 O2 -","- C28 H76 Br4 N4 O4 -","2","0.5","","Li, Anze; Zhao, Zihao; Yang, Guangxin; Zhang, Qiang; Chen, Xiang; Yuan, Wang Zhang","Polymorphism and phase transformation tuned luminescence and mechanistic insights in nonconventional luminophores","Chemical Science","2025","16","25","11530","11538","10.1039/D5SC02250A","","","1.54184","CuKα","","0.0166","0.016","","","0.042","0.0423","","","","","","1.024","","","","has coordinates","300615","2025-07-06","14:22:18",""
"1574684","5.8652","0.0001","12.012","0.0002","13.5766","0.0002","90","","98.999","0.002","90","","944.74","0.03","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8-Br-b","","- C14 H34 Br2 N2 -","- C14 H34 Br2 N2 -","- C28 H68 Br4 N4 -","2","0.5","","Li, Anze; Zhao, Zihao; Yang, Guangxin; Zhang, Qiang; Chen, Xiang; Yuan, Wang Zhang","Polymorphism and phase transformation tuned luminescence and mechanistic insights in nonconventional luminophores","Chemical Science","2025","16","25","11530","11538","10.1039/D5SC02250A","","","1.54184","CuKα","","0.0215","0.02","","","0.0518","0.0527","","","","","","1.035","","","","has coordinates","300615","2025-07-06","14:22:21",""
"1574685","18.6422","0.0008","13.4664","0.0005","13.1607","0.001","90","","128.465","0.001","90","","2586.9","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","10-I-H2O","","- C16 H38 I2 N2 -","- C16 H38 I2 N2 -","- C64 H152 I8 N8 -","4","0.5","","Li, Anze; Zhao, Zihao; Yang, Guangxin; Zhang, Qiang; Chen, Xiang; Yuan, Wang Zhang","Polymorphism and phase transformation tuned luminescence and mechanistic insights in nonconventional luminophores","Chemical Science","2025","16","25","11530","11538","10.1039/D5SC02250A","","","0.71073","MoKα","","0.069","0.039","","","0.1023","0.1161","","","","","","1.085","","","","has coordinates","300615","2025-07-06","14:22:33",""
"1574686","14.1034","0.0001","14.1034","0.0001","11.6089","0.0001","90","","90","","90","","2309.08","0.03","93.15","","93.15","","","","","","","","","4","P -4","P -4","81","","","","- C32 H20 N4 O2 -","- C32 H20 N4 O2 -","- C128 H80 N16 O8 -","4","1","","Yagami, Ryota; Xu, Wei; Kobayashi, Toi; Nagata, Yuuya; Kumagai, Naoya","iso-TEtraQuinoline (i-TEQ): an inherently chiral N4 macrocyclic quinoline tetramer","Chemical Science","2025","16","24","10714","10721","10.1039/D5SC02937F","","x-ray","1.54184","CuKα","","0.031","0.0276","","","0.0679","0.0693","","","","","","1.089","","","","has coordinates","300546","2025-07-06","13:47:21",""
"1574687","12.364","0.0001","35.4478","0.0002","13.1495","0.0001","90","","90","","90","","5763.12","0.07","93.15","","93.15","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C30 H17 Br N2 O3 S -","- C30 H17 Br N2 O3 S -","- C240 H136 Br8 N16 O24 S8 -","8","1","","Yagami, Ryota; Xu, Wei; Kobayashi, Toi; Nagata, Yuuya; Kumagai, Naoya","iso-TEtraQuinoline (i-TEQ): an inherently chiral N4 macrocyclic quinoline tetramer","Chemical Science","2025","16","24","10714","10721","10.1039/D5SC02937F","","x-ray","1.54184","CuKα","","0.0964","0.0888","","","0.2416","0.2487","","","","","","1.099","","","","has coordinates","300546","2025-07-06","13:47:22",""
"1574688","20.0536","0.0001","20.0536","0.0001","24.3689","0.0002","90","","90","","90","","9799.88","0.11","93.15","","93.15","","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C50 H32 B2 F8 N4 O2 Pd -","- C50 H32 B1.5 F6 N4 O2 Pd -","- C400 H256 B12 F48 N32 O16 Pd8 -","8","0.5","","Yagami, Ryota; Xu, Wei; Kobayashi, Toi; Nagata, Yuuya; Kumagai, Naoya","iso-TEtraQuinoline (i-TEQ): an inherently chiral N4 macrocyclic quinoline tetramer","Chemical Science","2025","16","24","10714","10721","10.1039/D5SC02937F","","x-ray","1.54184","CuKα","","0.0469","0.0408","","","0.1194","0.1249","","","","","","1.073","","","","has coordinates","301209","2025-07-10","11:18:53",""
"1574689","11.2428","0.0001","12.0593","0.0001","16.9374","0.0002","97.179","0.001","90.825","0.001","103.73","0.001","2210.96","0.04","93.15","","93.15","","","","","","","","","3","P -1","-P 1","2","","","","- C64 H40 N8 -","- C64 H40 N8 -","- C128 H80 N16 -","2","1","","Yagami, Ryota; Xu, Wei; Kobayashi, Toi; Nagata, Yuuya; Kumagai, Naoya","iso-TEtraQuinoline (i-TEQ): an inherently chiral N4 macrocyclic quinoline tetramer","Chemical Science","2025","16","24","10714","10721","10.1039/D5SC02937F","","x-ray","1.54184","CuKα","","0.0463","0.0393","","","0.0898","0.0995","","","","","","1.054","","","","has coordinates","300546","2025-07-06","13:47:22",""
"1574690","33.5543","0.0002","14.9016","0.0001","18.9507","0.0001","90","","91.387","0.001","90","","9472.82","0.1","93.15","","93.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H36 Cl4 N4 O2 -","- C52 H36 Cl4 N4 O2 -","- C416 H288 Cl32 N32 O16 -","8","1","","Yagami, Ryota; Xu, Wei; Kobayashi, Toi; Nagata, Yuuya; Kumagai, Naoya","iso-TEtraQuinoline (i-TEQ): an inherently chiral N4 macrocyclic quinoline tetramer","Chemical Science","2025","16","24","10714","10721","10.1039/D5SC02937F","","x-ray","1.54184","CuKα","","0.0643","0.0601","","","0.1689","0.1725","","","","","","1.026","","","","has coordinates","300546","2025-07-06","13:47:22",""
"1574691","9.6701","0.0006","10.4891","0.0007","11.1372","0.0007","90","","90","","90","","1129.65","0.13","249","","249","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C48 H60 N4 O8 -","4","1","","Cheng, Yu; Zhao, Zihe; Xu, Xiaowei; Ren, Chunxiao; Wei, Xiaohui; Yang, Yanxiang; Li, Jin; Jiang, Daqiang; Zhang, Kunyu; Wang, Bin; Luo, Yi","Efficient synthesis of polylactide and copolymers under industrial conditions by multinuclear β-ketoimide zinc complexes","Polymer Chemistry","2025","16","26","3030","3040","10.1039/D4PY01486C","","x-ray","1.54178","CuKα","","0.0321","0.0305","","","0.0838","0.0852","","","","","","1.069","","","","has coordinates","301187","2025-07-06","18:02:57",""
"1574692","13.6104","0.0003","17.3943","0.0004","14.6731","0.0004","90","","100.815","0.001","90","","3412.06","0.14","193","","193","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C73 H86 Cl2 N4 O8 Zn4 -","- C73 H86 Cl2 N4 O8 Zn4 -","- C146 H172 Cl4 N8 O16 Zn8 -","2","1","","Cheng, Yu; Zhao, Zihe; Xu, Xiaowei; Ren, Chunxiao; Wei, Xiaohui; Yang, Yanxiang; Li, Jin; Jiang, Daqiang; Zhang, Kunyu; Wang, Bin; Luo, Yi","Efficient synthesis of polylactide and copolymers under industrial conditions by multinuclear β-ketoimide zinc complexes","Polymer Chemistry","2025","16","26","3030","3040","10.1039/D4PY01486C","","x-ray","1.54178","CuKα","","0.0235","0.0227","","","0.0561","0.0565","","","","","","1.009","","","","has coordinates,has disorder","301187","2025-07-06","18:02:58",""
"1574693","13.3644","0.0006","16.4964","0.0007","17.4218","0.0007","76.404","0.002","85.521","0.002","84.815","0.002","3711.6","0.3","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C83 H84 Cl2 N6 O10 Zn4 -","- C83 H84 Cl2 N6 O10 Zn4 -","- C166 H168 Cl4 N12 O20 Zn8 -","2","1","","Cheng, Yu; Zhao, Zihe; Xu, Xiaowei; Ren, Chunxiao; Wei, Xiaohui; Yang, Yanxiang; Li, Jin; Jiang, Daqiang; Zhang, Kunyu; Wang, Bin; Luo, Yi","Efficient synthesis of polylactide and copolymers under industrial conditions by multinuclear β-ketoimide zinc complexes","Polymer Chemistry","2025","16","26","3030","3040","10.1039/D4PY01486C","","x-ray","1.54178","CuKα","","0.0396","0.0348","","","0.0968","0.1002","","","","","","1.068","","","","has coordinates,has disorder","301187","2025-07-06","18:02:58",""
"1574695","13.12","0.003","14.55","0.003","22.23","0.004","90","","97.27","0.03","90","","4209.5","1.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H64 Cl2 O3 -","- C45.9999 H63.9998 Cl1.9999 O3 -","- C184 H255.999 Cl7.9996 O12 -","4","1","","Hillier, Bethany K.; de Clercq, Damon M.; Bortolussi, Stephen D. S.; Capomolla, Simona S.; Nielsen, Michael P.; Młodzikowska-Pieńko, Katarzyna; Gershoni-Poranne, Renana; Schmidt, Timothy W.; Peeks, Martin D.","Photoexcited and ground-state diradical(oid) character in a triquino[3]radialene","Chemical Science","2025","16","25","11331","11338","10.1039/D5SC01676B","","","0.71073","Synchrotron","","0.0589","0.0559","","","0.157","0.1594","","","","","","1.055","","","","has coordinates,has disorder","300618","2025-07-06","14:23:09",""
"1574700","12.1999","0.0002","8.1197","0.0002","22.711","0.0005","90","","103.927","0.001","90","","2183.61","0.08","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Br N O2 -","- C26 H24 Br N O2 -","- C104 H96 Br4 N4 O8 -","4","1","","Du, Hai-Wu; Jia, Jun-Song; Chen, Xiao-Yi; Yuan, Zhang-Yin; Lin, Jia-Ni; Li, Yu-Long; Yu, Qiong; Shu, Wei","Convergent and divergent synthesis of dihydroisoquinoline-1,4-diones enabled by a photocatalytic skeleton-editing [4 + 2] strategy","Chemical Science","2025","16","26","11833","11840","10.1039/D5SC00665A","","","1.54178","CuKα","","0.0235","0.0231","","","0.0601","0.0603","","","","","","1.069","","","","has coordinates","300561","2025-07-06","13:58:30",""
"1574701","13.8148","0.0007","17.2854","0.0008","19.668","0.0009","79.694","0.002","74.868","0.002","68.162","0.002","4190.8","0.4","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 N O2 -","- C26 H25 N O2 -","- C208 H200 N8 O16 -","8","4","","Du, Hai-Wu; Jia, Jun-Song; Chen, Xiao-Yi; Yuan, Zhang-Yin; Lin, Jia-Ni; Li, Yu-Long; Yu, Qiong; Shu, Wei","Convergent and divergent synthesis of dihydroisoquinoline-1,4-diones enabled by a photocatalytic skeleton-editing [4 + 2] strategy","Chemical Science","2025","16","26","11833","11840","10.1039/D5SC00665A","","x-ray","1.54178","CuKα","","0.0662","0.0486","","","0.1305","0.1463","","","","","","1.028","","","","has coordinates,has disorder","300561","2025-07-06","13:58:36",""
"1574702","9.2113","0.0008","13.5991","0.0011","17.3584","0.0014","98.176","0.001","93.192","0.001","106.95","0.001","2047.9","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H42 O7 P2 S2 -","- C48 H42 O7 P2 S2 -","- C96 H84 O14 P4 S4 -","2","1","","Sun, Mingxia; Chen, Jia; Zhang, Ting; Xu, Wei; He, Jing; Zhang, Yunyun; Liu, Huifeng; Zhang, Shuang; Wang, Juanjuan; Li, Xin; Yang, Yali; Qiu, Hongdeng","Flexible phosphonium and sulfonate pair-to-pair self-assembled ionic organic single crystals for iodine capture","Chemical Science","2025","16","26","11858","11869","10.1039/D5SC02039E","","","0.71073","MoKα","","0.0674","0.0452","","","0.1171","0.1335","","","","","","0.993","","","","has coordinates","300563","2025-07-06","13:59:19",""
"1574703","13.4375","0.0015","19.787","0.002","18.4255","0.0019","90","","106.827","0.002","90","","4689.4","0.9","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H55 O11 P2 S2 -","- C50 H55 O11 P2 S2 -","- C200 H220 O44 P8 S8 -","4","1","","Sun, Mingxia; Chen, Jia; Zhang, Ting; Xu, Wei; He, Jing; Zhang, Yunyun; Liu, Huifeng; Zhang, Shuang; Wang, Juanjuan; Li, Xin; Yang, Yali; Qiu, Hongdeng","Flexible phosphonium and sulfonate pair-to-pair self-assembled ionic organic single crystals for iodine capture","Chemical Science","2025","16","26","11858","11869","10.1039/D5SC02039E","","","0.71073","MoKα","","0.0509","0.0405","","","0.1077","0.1149","","","","","","1.03","","","","has coordinates,has disorder","300563","2025-07-06","13:59:28",""
"1574704","10.5835","0.0013","14.1726","0.0018","17.216","0.002","70.458","0.002","77.061","0.002","71.936","0.002","2292.7","0.5","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H98 O15 P4 S4 -","- C104 H98 O15 P4 S4 -","- C104 H98 O15 P4 S4 -","1","0.5","","Sun, Mingxia; Chen, Jia; Zhang, Ting; Xu, Wei; He, Jing; Zhang, Yunyun; Liu, Huifeng; Zhang, Shuang; Wang, Juanjuan; Li, Xin; Yang, Yali; Qiu, Hongdeng","Flexible phosphonium and sulfonate pair-to-pair self-assembled ionic organic single crystals for iodine capture","Chemical Science","2025","16","26","11858","11869","10.1039/D5SC02039E","","","0.71073","MoKα","","0.0823","0.0567","","","0.1474","0.1682","","","","","","1.043","","","","has coordinates,has disorder","300563","2025-07-06","13:59:28",""
"1574705","11.9946","0.001","20.218","0.0017","17.2493","0.0014","90","","99.561","0.001","90","","4125","0.6","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C188 H174 O33 P8 S8 -","- C188 H174 O33 P8 S8 -","- C188 H174 O33 P8 S8 -","1","0.25","","Sun, Mingxia; Chen, Jia; Zhang, Ting; Xu, Wei; He, Jing; Zhang, Yunyun; Liu, Huifeng; Zhang, Shuang; Wang, Juanjuan; Li, Xin; Yang, Yali; Qiu, Hongdeng","Flexible phosphonium and sulfonate pair-to-pair self-assembled ionic organic single crystals for iodine capture","Chemical Science","2025","16","26","11858","11869","10.1039/D5SC02039E","","","0.71073","MoKα","","0.0743","0.0463","","","0.1141","0.1302","","","","","","1.033","","","","has coordinates,has disorder","300563","2025-07-06","13:59:30",""
"1574706","19.0857","0.0003","5.32972","0.00008","31.1946","0.0004","90","","92.5193","0.0014","90","","3170.09","0.08","139.98","0.1","139.98","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 O3 S -","- C18 H18 O3 S -","- C144 H144 O24 S8 -","8","1","","Robert, Emma G. L.; Waser, Jerome","Enantioselective synthesis of 1,2-disubstituted thiocyclobutanes via Michael addition","Chemical Science","2025","16","26","12115","12121","10.1039/D5SC01727K","","x-ray","1.54184","CuKα","","0.0438","0.0365","","","0.0948","0.0997","","","","","","1.04","","","","has coordinates,has disorder","300571","2025-07-06","14:03:32",""
"1574707","5.01559","0.00008","9.23324","0.00015","32.6513","0.0005","90","","90","","90","","1512.09","0.04","140","0.1","140","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O5 S -","- C16 H17 N O5 S -","- C64 H68 N4 O20 S4 -","4","1","","Robert, Emma G. L.; Waser, Jerome","Enantioselective synthesis of 1,2-disubstituted thiocyclobutanes via Michael addition","Chemical Science","2025","16","26","12115","12121","10.1039/D5SC01727K","","x-ray","1.54184","CuKα","","0.0411","0.0342","","","0.0835","0.0869","","","","","","1.047","","","","has coordinates","300571","2025-07-06","14:03:34",""
"1574708","10.8839","0.0005","12.7424","0.0006","14.5075","0.0006","92.618","0.001","111.642","0.001","95.234","0.001","1855.52","0.14","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H59 Lu N4 O Si2 -","- C30 H59 Lu N4 O Si2 -","- C60 H118 Lu2 N8 O2 Si4 -","2","1","","Chai, Fuxiang; Wu, Weikang; Rajeshkumar, Thayalan; Huang, Zeming; Yuan, Qingbing; Wei, Yun; Maron, Laurent; Wang, Shaowu","Unique selectivity of rare-earth metal ambiphilic carbenes towards organic molecules and novel reactivity patterns with isonitriles","Chemical Science","2025","16","26","11870","11887","10.1039/D5SC01502B","","","0.71073","MoKα","","0.0885","0.0509","","","0.0802","0.0913","","","","","","1.076","","","","has coordinates,has disorder","300568","2025-07-06","14:02:19",""
"1574709","10.8997","0.0006","12.7508","0.0007","14.5651","0.0008","92.614","0.002","111.711","0.002","95.266","0.002","1865.78","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H59 N4 O Si2 Yb -","- C30 H59 N4 O Si2 Yb -","- C60 H118 N8 O2 Si4 Yb2 -","2","1","","Chai, Fuxiang; Wu, Weikang; Rajeshkumar, Thayalan; Huang, Zeming; Yuan, Qingbing; Wei, Yun; Maron, Laurent; Wang, Shaowu","Unique selectivity of rare-earth metal ambiphilic carbenes towards organic molecules and novel reactivity patterns with isonitriles","Chemical Science","2025","16","26","11870","11887","10.1039/D5SC01502B","","","0.71073","MoKα","","0.0381","0.0276","","","0.063","0.0655","","","","","","1.033","","","","has coordinates,has disorder","300568","2025-07-06","14:02:20",""
"1574710","19.6499","0.0006","12.8542","0.0006","14.7748","0.0006","90","","90","","90","","3731.9","0.3","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C31 H55 B10 Dy N4 O -","- C30.5 H55 B10 Dy N4 O -","- C122 H220 B40 Dy4 N16 O4 -","4","0.5","","Chai, Fuxiang; Wu, Weikang; Rajeshkumar, Thayalan; Huang, Zeming; Yuan, Qingbing; Wei, Yun; Maron, Laurent; Wang, Shaowu","Unique selectivity of rare-earth metal ambiphilic carbenes towards organic molecules and novel reactivity patterns with isonitriles","Chemical Science","2025","16","26","11870","11887","10.1039/D5SC01502B","","x-ray","0.71073","MoKα","","0.1577","0.1099","","","0.2136","0.2349","","","","","","1.222","","","","has coordinates,has disorder","300568","2025-07-06","14:02:20",""
"1574711","19.576","0.002","12.8163","0.0015","14.6969","0.0016","90","","90","","90","","3687.3","0.7","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C31 H55 B10 Lu N4 O -","- C31 H55 B10 Lu N4 O -","- C124 H220 B40 Lu4 N16 O4 -","4","0.5","","Chai, Fuxiang; Wu, Weikang; Rajeshkumar, Thayalan; Huang, Zeming; Yuan, Qingbing; Wei, Yun; Maron, Laurent; Wang, Shaowu","Unique selectivity of rare-earth metal ambiphilic carbenes towards organic molecules and novel reactivity patterns with isonitriles","Chemical Science","2025","16","26","11870","11887","10.1039/D5SC01502B","","x-ray","0.71073","MoKα","","0.1947","0.1094","","","0.2263","0.2721","","","","","","1.129","","","","has coordinates,has disorder","300568","2025-07-06","14:02:20",""
"1574712","10.9104","0.0015","12.7977","0.0018","14.5426","0.0019","92.761","0.004","111.614","0.004","95.34","0.004","1872.1","0.4","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H59 Er N4 O Si2 -","- C30 H59 Er N4 O Si2 -","- C60 H118 Er2 N8 O2 Si4 -","2","1","","Chai, Fuxiang; Wu, Weikang; Rajeshkumar, Thayalan; Huang, Zeming; Yuan, Qingbing; Wei, Yun; Maron, Laurent; Wang, Shaowu","Unique selectivity of rare-earth metal ambiphilic carbenes towards organic molecules and novel reactivity patterns with isonitriles","Chemical Science","2025","16","26","11870","11887","10.1039/D5SC01502B","","","0.71073","MoKα","","0.0768","0.052","","","0.1213","0.1377","","","","","","1.06","","","","has coordinates,has disorder","300568","2025-07-06","14:02:20",""
"1574713","10.9337","0.0003","12.8057","0.0005","14.5859","0.0006","92.758","0.002","111.668","0.001","95.442","0.001","1881.72","0.12","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H59 N4 O Si2 Y -","- C30 H59 N4 O Si2 Y -","- C60 H118 N8 O2 Si4 Y2 -","2","1","","Chai, Fuxiang; Wu, Weikang; Rajeshkumar, Thayalan; Huang, Zeming; Yuan, Qingbing; Wei, Yun; Maron, Laurent; Wang, Shaowu","Unique selectivity of rare-earth metal ambiphilic carbenes towards organic molecules and novel reactivity patterns with isonitriles","Chemical Science","2025","16","26","11870","11887","10.1039/D5SC01502B","","","0.71073","MoKα","","0.0992","0.0482","","","0.1003","0.1216","","","","","","1.014","","","","has coordinates,has disorder","300568","2025-07-06","14:02:20",""
"1574714","10.9353","0.0007","12.829","0.0008","14.6085","0.0011","92.672","0.003","111.785","0.002","95.539","0.002","1886.6","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H59 Dy N4 O Si2 -","- C30 H59 Dy N4 O Si2 -","- C60 H118 Dy2 N8 O2 Si4 -","2","1","","Chai, Fuxiang; Wu, Weikang; Rajeshkumar, Thayalan; Huang, Zeming; Yuan, Qingbing; Wei, Yun; Maron, Laurent; Wang, Shaowu","Unique selectivity of rare-earth metal ambiphilic carbenes towards organic molecules and novel reactivity patterns with isonitriles","Chemical Science","2025","16","26","11870","11887","10.1039/D5SC01502B","","","0.71073","MoKα","","0.0658","0.043","","","0.1004","0.1128","","","","","","1.029","","","","has coordinates,has disorder","300568","2025-07-06","14:02:20",""
"1574715","19.6514","0.0006","12.8413","0.0005","14.7801","0.0005","90","","90","","90","","3729.8","0.2","292","","292","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C31 H55 B10 N4 O Y -","- C31 H55 B10 N4 O Y -","- C124 H220 B40 N16 O4 Y4 -","4","0.5","","Chai, Fuxiang; Wu, Weikang; Rajeshkumar, Thayalan; Huang, Zeming; Yuan, Qingbing; Wei, Yun; Maron, Laurent; Wang, Shaowu","Unique selectivity of rare-earth metal ambiphilic carbenes towards organic molecules and novel reactivity patterns with isonitriles","Chemical Science","2025","16","26","11870","11887","10.1039/D5SC01502B","","","0.71073","MoKα","","0.1678","0.1205","","","0.2719","0.2986","","","","","","1.129","","","","has coordinates,has disorder","300568","2025-07-06","14:02:20",""
"1574716","19.6191","0.001","12.8389","0.0007","14.7285","0.0008","90","","90","","90","","3709.9","0.3","298","","298","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C31 H55 B10 N4 O Yb -","- C31 H55 B10 N4 O Yb -","- C124 H220 B40 N16 O4 Yb4 -","4","0.5","","Chai, Fuxiang; Wu, Weikang; Rajeshkumar, Thayalan; Huang, Zeming; Yuan, Qingbing; Wei, Yun; Maron, Laurent; Wang, Shaowu","Unique selectivity of rare-earth metal ambiphilic carbenes towards organic molecules and novel reactivity patterns with isonitriles","Chemical Science","2025","16","26","11870","11887","10.1039/D5SC01502B","","","0.71073","MoKα","","0.1659","0.1309","","","0.2729","0.2931","","","","","","1.216","","","","has coordinates,has disorder","300568","2025-07-06","14:02:20",""
"1574717","19.5","0.004","12.603","0.003","14.677","0.003","90","","90","","90","","3607","1.4","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C31 H55 B10 Er N4 O -","- C31 H55 B10 Er N4 O -","- C124 H220 B40 Er4 N16 O4 -","4","0.5","","Chai, Fuxiang; Wu, Weikang; Rajeshkumar, Thayalan; Huang, Zeming; Yuan, Qingbing; Wei, Yun; Maron, Laurent; Wang, Shaowu","Unique selectivity of rare-earth metal ambiphilic carbenes towards organic molecules and novel reactivity patterns with isonitriles","Chemical Science","2025","16","26","11870","11887","10.1039/D5SC01502B","","x-ray","0.71073","MoKα","","0.1584","0.1478","","","0.2755","0.2815","","","","","","1.345","","","","has coordinates,has disorder","300568","2025-07-06","14:02:20",""
"1574719","10.8872","0.0003","8.5462","0.0003","32.7304","0.001","90","","90","","90","","3045.37","0.16","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O3 -","- C19 H18 O3 -","- C152 H144 O24 -","8","1","","Tang, Si-Yuan; Wang, Zhan-Jie; Wu, Jin-Jiao; Xing, Zhi-Xi; Du, Ze-Yi; Huang, Huan-Ming","Photocatalytic synthesis of 2-oxabicyclo[2.1.1]hexanes: cobalt-enhanced efficiency","Chemical Science","2025","16","26","11908","11917","10.1039/D5SC02836A","","","1.34138","GaKα","","0.0615","0.0538","","","0.1185","0.1224","","","","","","1.112","","","","has coordinates","300572","2025-07-06","14:03:42",""
"1574720","8.2052","0.0001","10.8597","0.0002","16.6641","0.0003","81.45","0.001","76.195","0.002","82.52","0.001","1419","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H35 B I2 N2 -","- C29 H35 B I2 N2 -","- C58 H70 B2 I4 N4 -","2","1","","Mihm, Cornelius; Kar, Sourav; Sachs, Andreas; Duwe, Dario; Dewhurst, Rian D.; Braunschweig, Holger","Synthesis of symmetrical and unsymmetrical cyclic diborenes via NHC-directed C–H borylation","Chemical Science","2025","16","25","11637","11643","10.1039/D5SC03150H","","x-ray","1.54184","CuKα","K-L~2,3~","0.0247","0.0233","","","0.06","0.0607","","","","","","1.054","","","","has coordinates,has disorder","300620","2025-07-06","14:26:37",""
"1574721","7.8531","0.0001","15.449","0.0001","37.9294","0.0003","90","","91.692","0.001","90","","4599.68","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H62 B2 Br2 N4 -","- C51 H62 B2 Br2 N4 -","- C204 H248 B8 Br8 N16 -","4","1","","Mihm, Cornelius; Kar, Sourav; Sachs, Andreas; Duwe, Dario; Dewhurst, Rian D.; Braunschweig, Holger","Synthesis of symmetrical and unsymmetrical cyclic diborenes via NHC-directed C–H borylation","Chemical Science","2025","16","25","11637","11643","10.1039/D5SC03150H","","x-ray","1.54184","CuKα","K-L~2,3~","0.0436","0.0388","","","0.0992","0.1011","","","","","","1.139","","","","has coordinates","300620","2025-07-06","14:26:38",""
"1574722","13.9101","0.0002","15.7838","0.0002","17.893","0.0003","90","","104.378","0.002","90","","3805.44","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H54 B2 N4 -","- C44 H54 B2 N4 -","- C176 H216 B8 N16 -","4","1","","Mihm, Cornelius; Kar, Sourav; Sachs, Andreas; Duwe, Dario; Dewhurst, Rian D.; Braunschweig, Holger","Synthesis of symmetrical and unsymmetrical cyclic diborenes via NHC-directed C–H borylation","Chemical Science","2025","16","25","11637","11643","10.1039/D5SC03150H","","x-ray","1.54184","CuKα","K-L~2,3~","0.0775","0.0618","","","0.1687","0.1802","","","","","","1.048","","","","has coordinates","300620","2025-07-06","14:26:38",""
"1574723","14.1122","0.0002","14.2169","0.0002","16.813","0.0002","97.552","0.001","101.359","0.001","101.845","0.001","3184.39","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H43 B N4 -","- C31 H43 B N4 -","- C124 H172 B4 N16 -","4","2","","Mihm, Cornelius; Kar, Sourav; Sachs, Andreas; Duwe, Dario; Dewhurst, Rian D.; Braunschweig, Holger","Synthesis of symmetrical and unsymmetrical cyclic diborenes via NHC-directed C–H borylation","Chemical Science","2025","16","25","11637","11643","10.1039/D5SC03150H","","x-ray","1.54184","CuKα","K-L~2,3~","0.068","0.053","","","0.1428","0.1602","","","","","","1.121","","","","has coordinates","300620","2025-07-06","14:26:39",""
"1574724","18.9063","0.0001","18.9063","0.0001","23.2427","0.0003","90","","90","","90","","8308.06","0.12","100","2","100","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C44 H56 B2 N4 -","- C44 H56 B2 N4 -","- C352 H448 B16 N32 -","8","1","","Mihm, Cornelius; Kar, Sourav; Sachs, Andreas; Duwe, Dario; Dewhurst, Rian D.; Braunschweig, Holger","Synthesis of symmetrical and unsymmetrical cyclic diborenes via NHC-directed C–H borylation","Chemical Science","2025","16","25","11637","11643","10.1039/D5SC03150H","","x-ray","1.54184","CuKα","K-L~2,3~","0.0482","0.0434","","","0.116","0.1197","","","","","","1.047","","","","has coordinates","300620","2025-07-06","14:26:39",""
"1574725","15.6024","0.0003","21.2733","0.0002","21.6009","0.0003","90","","93.274","0.002","90","","7157.95","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H82 B3 I N6 -","- C66 H82 B3 I N6 -","- C264 H328 B12 I4 N24 -","4","1","","Mihm, Cornelius; Kar, Sourav; Sachs, Andreas; Duwe, Dario; Dewhurst, Rian D.; Braunschweig, Holger","Synthesis of symmetrical and unsymmetrical cyclic diborenes via NHC-directed C–H borylation","Chemical Science","2025","16","25","11637","11643","10.1039/D5SC03150H","","x-ray","1.54184","CuKα","K-L~2,3~","0.0907","0.0707","","","0.1936","0.2109","","","","","","1.037","","","","has coordinates,has disorder","300620","2025-07-06","14:26:39",""
"1574726","5.2172","0.0002","8.9168","0.0003","13.0925","0.0004","79.389","0.003","78.628","0.003","76.805","0.003","575.14","0.04","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","tert-butyl benzo[d]isoxazol-5-ylcarbamate","","- C12 H14 N2 O3 -","- C12 H14 N2 O3 -","- C24 H28 N4 O6 -","2","1","","Paschke, Ann-Sophie K.; Schiele, Stefanie; Pinard, Camille; Sandrini, Filippo; Morandi, Bill","Chemodivergent C-to-N atom swap from benzofurans to benzisoxazoles and benzoxazoles","Chemical Science","2025","16","25","11464","11467","10.1039/D5SC02032H","","x-ray","1.54184","CuKα","","0.0577","0.0488","","","0.1333","0.1389","","","","","","1.038","","","","has coordinates","300625","2025-07-06","14:27:35",""
"1574727","5.2939","0.0002","10.5894","0.0003","11.1328","0.0003","102.318","0.002","100.925","0.002","94.671","0.002","593.83","0.03","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","tert-butyl benzofuran-5-ylcarbamate","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C26 H30 N2 O6 -","2","1","","Paschke, Ann-Sophie K.; Schiele, Stefanie; Pinard, Camille; Sandrini, Filippo; Morandi, Bill","Chemodivergent C-to-N atom swap from benzofurans to benzisoxazoles and benzoxazoles","Chemical Science","2025","16","25","11464","11467","10.1039/D5SC02032H","","x-ray","1.54184","CuKα","","0.0515","0.0425","","","0.1145","0.1197","","","","","","1.029","","","","has coordinates","300625","2025-07-06","14:27:35",""
"1574728","10.4696","0.0003","11.1571","0.0003","7.1041","0.0002","90","","108.043","0.003","90","","789.03","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","methyl benzo[d]isoxazole-5-carboxylate","","- C9 H7 N O3 -","- C9 H7 N O3 -","- C36 H28 N4 O12 -","4","1","","Paschke, Ann-Sophie K.; Schiele, Stefanie; Pinard, Camille; Sandrini, Filippo; Morandi, Bill","Chemodivergent C-to-N atom swap from benzofurans to benzisoxazoles and benzoxazoles","Chemical Science","2025","16","25","11464","11467","10.1039/D5SC02032H","","x-ray","1.54184","CuKα","","0.0414","0.0372","","","0.1013","0.1045","","","","","","1.067","","","","has coordinates","300625","2025-07-06","14:27:35",""
"1574729","15.931","0.0009","15.9306","0.0011","18.5289","0.0013","90","","89.979","0.003","90","","4702.5","0.5","100","","100","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C45 H36 Cl4 F15 Fe N P2 -","- C45 H36 Cl4 F15 Fe N P2 -","- C180 H144 Cl16 F60 Fe4 N4 P8 -","4","2","","Sievers, Robin; Hartmann, Nick; Riemann, Paulin S.; Streit, Tim-Niclas; Malischewski, Moritz","Stimulus-responsive metallocenes: a photo/thermal switch enabled by the perfluorinated Cp* ligand","Chemical Science","2025","16","26","11949","11953","10.1039/D5SC02784E","","","0.71073","MoKα","","0.0681","0.0563","","","0.1714","0.1967","","","","","","0.842","","","","has coordinates,has disorder","300562","2025-07-06","13:59:01",""
"1574730","7.3204","0.0003","15.6095","0.0007","14.6724","0.0007","90","","90.01","0.02","90","","1676.58","0.13","100.15","","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H5 F15 Ru -","- C15 H5 F15 Ru -","- C60 H20 F60 Ru4 -","4","1","","Sievers, Robin; Hartmann, Nick; Riemann, Paulin S.; Streit, Tim-Niclas; Malischewski, Moritz","Stimulus-responsive metallocenes: a photo/thermal switch enabled by the perfluorinated Cp* ligand","Chemical Science","2025","16","26","11949","11953","10.1039/D5SC02784E","","x-ray","0.71073","MoKα","","0.0993","0.0785","","","0.1969","0.2176","","","","","","1.091","","","","has coordinates,has disorder","300562","2025-07-06","13:59:03",""
"1574731","11.6437","0.001","11.1515","0.0009","12.204","0.0011","90","","116.484","0.003","90","","1418.3","0.2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H16 Cl2 F15 N3 Ru -","- C22 H16 Cl2 F15 N3 Ru -","- C44 H32 Cl4 F30 N6 Ru2 -","2","1","","Sievers, Robin; Hartmann, Nick; Riemann, Paulin S.; Streit, Tim-Niclas; Malischewski, Moritz","Stimulus-responsive metallocenes: a photo/thermal switch enabled by the perfluorinated Cp* ligand","Chemical Science","2025","16","26","11949","11953","10.1039/D5SC02784E","","","0.71073","MoKα","","0.05","0.0415","","","0.0948","0.1046","","","","","","1.089","","","","has coordinates,has disorder","300562","2025-07-06","13:59:04",""
"1574732","23.294","0.008","16.771","0.006","8.709","0.003","90","","90","","90","","3402","2","273","2","273","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C40 H22 N4 -","- C40 H22 N4 -","- C160 H88 N16 -","4","0.5","","Dutta, Madhusudan; Chatterjee, Abhijit; Deka, Nilotpal; Tanwar, Riteeka; Mishra, Vishnu; Saha, Arindam; Mandal, Pankaj; Boomishankar, Ramamoorthy; Hazra, Partha","Steric hindrance modulated efficient thermally activated delayed fluorescence with non-linear optical, ferroelectric and piezoelectric properties","Chemical Science","2025","16","26","11989","11998","10.1039/D5SC02107C","","","0.71073","MoKα","","0.1729","0.0653","","","0.1748","0.2485","","","","","","0.837","","","","has coordinates","300570","2025-07-06","14:03:13",""
"1574733","16.3865","0.0011","10.2297","0.0006","35.16","0.002","90","","103.138","0.002","90","","5739.6","0.6","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C56 H54 N4 -","- C56 H54 N4 -","- C224 H216 N16 -","4","1","","Dutta, Madhusudan; Chatterjee, Abhijit; Deka, Nilotpal; Tanwar, Riteeka; Mishra, Vishnu; Saha, Arindam; Mandal, Pankaj; Boomishankar, Ramamoorthy; Hazra, Partha","Steric hindrance modulated efficient thermally activated delayed fluorescence with non-linear optical, ferroelectric and piezoelectric properties","Chemical Science","2025","16","26","11989","11998","10.1039/D5SC02107C","","","0.71073","MoKα","","0.1583","0.0856","","","0.1963","0.2287","","","","","","1.023","","","","has coordinates","300570","2025-07-06","14:03:14",""
"1574734","16.2336","0.0013","17.0377","0.0012","17.1281","0.0014","66.243","0.002","67.979","0.002","89.261","0.002","3966","0.5","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C88 H50 N8 -","- C88 H50 N8 -","- C176 H100 N16 -","2","1","","Dutta, Madhusudan; Chatterjee, Abhijit; Deka, Nilotpal; Tanwar, Riteeka; Mishra, Vishnu; Saha, Arindam; Mandal, Pankaj; Boomishankar, Ramamoorthy; Hazra, Partha","Steric hindrance modulated efficient thermally activated delayed fluorescence with non-linear optical, ferroelectric and piezoelectric properties","Chemical Science","2025","16","26","11989","11998","10.1039/D5SC02107C","","","0.71073","MoKα","","0.1013","0.0738","","","0.2182","0.2445","","","","","","1.0879","","","","has coordinates,has disorder","300570","2025-07-06","14:03:14",""
"1574735","22.1999","0.0003","10.492","0.0001","21.9787","0.0003","90","","98.613","0.001","90","","5061.58","0.11","100","0.1","100","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C33 H31 N4 -","- C33 H31 N4 -","- C264 H248 N32 -","8","1","","Bartos, Paulina; Szamweber, Patrycja; Camargo, Bruno; Pietrzak, Anna; Kaszyński, Piotr","Photochemical synthesis of carbazole-fused Blatter radicals: effective spin injection to the carbazole system","Chemical Science","2025","16","26","12139","12147","10.1039/D5SC01182E","","","1.54184","CuKα","","0.0461","0.0384","","","0.0966","0.1011","","","","","","1.055","","","","has coordinates,has disorder","300573","2025-07-06","14:03:54",""
"1574736","7.4588","0.0004","23.524","0.0012","19.4019","0.001","90","","92.652","0.004","90","","3400.6","0.3","99.9","0.7","99.9","0.7","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H14 N4 O -","- C25 H14 N4 O -","- C200 H112 N32 O8 -","8","2","","Bartos, Paulina; Szamweber, Patrycja; Camargo, Bruno; Pietrzak, Anna; Kaszyński, Piotr","Photochemical synthesis of carbazole-fused Blatter radicals: effective spin injection to the carbazole system","Chemical Science","2025","16","26","12139","12147","10.1039/D5SC01182E","","","1.54184","CuKα","","0.0948","0.0616","","","0.1539","0.1752","","","","","","1.013","","","","has coordinates","300573","2025-07-06","14:03:55",""
"1574737","12.6865","0.0004","13.1676","0.0005","16.5859","0.0006","82.572","0.003","88.483","0.003","63.757","0.003","2462.78","0.16","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C106 H171 Ca2 N7 O -","- C106 H171 Ca2 N7 O -","- C106 H171 Ca2 N7 O -","1","0.5","","Thum, Stefan; Mai, Jonathan; Schmidt, Marcel A.; Langer, Jens; Harder, Sjoerd","Reductive cyclotrimerization of CO and isonitriles with a highly reactive CaI synthon","Chemical Science","2025","16","26","12058","12067","10.1039/D5SC02829A","","x-ray","1.54184","CuKα","","0.0553","0.0494","","","0.1363","0.1425","","","","","","1.022","","","","has coordinates,has disorder","300575","2025-07-06","14:04:49",""
"1574738","13.598","0.0004","14.8279","0.0005","21.9613","0.0007","75.108","0.003","77.232","0.003","64.237","0.003","3823.4","0.2","100","0.5","100","0.5","","","","","","","","4","P -1","-P 1","2","","","","- C82 H130 Ca N5 -","- C79 H123 Ca N5 -","- C158 H246 Ca2 N10 -","2","1","","Thum, Stefan; Mai, Jonathan; Schmidt, Marcel A.; Langer, Jens; Harder, Sjoerd","Reductive cyclotrimerization of CO and isonitriles with a highly reactive CaI synthon","Chemical Science","2025","16","26","12058","12067","10.1039/D5SC02829A","","x-ray","1.54184","CuKα","","0.0509","0.0406","","","0.0955","0.1024","","","","","","1.022","","","","has coordinates,has disorder","300575","2025-07-06","14:04:50",""
"1574739","13.482","0.0003","16.3223","0.0005","20.27","0.0005","68.531","0.002","87.284","0.002","76.379","0.002","4030.6","0.19","100","0.4","100","0.4","","","","","","","","4","P -1","-P 1","2","","","","- C87 H139 Ca N5 -","- C81 H125 Ca N5 -","- C162 H250 Ca2 N10 -","2","1","","Thum, Stefan; Mai, Jonathan; Schmidt, Marcel A.; Langer, Jens; Harder, Sjoerd","Reductive cyclotrimerization of CO and isonitriles with a highly reactive CaI synthon","Chemical Science","2025","16","26","12058","12067","10.1039/D5SC02829A","","x-ray","1.54184","CuKα","","0.0628","0.058","","","0.1628","0.1683","","","","","","1.069","","","","has coordinates,has disorder","300575","2025-07-06","14:04:50",""
"1574740","17.1763","0.0003","17.4722","0.0002","26.166","0.0003","90","","108.952","0.002","90","","7426.9","0.2","100","0.6","100","0.6","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C83 H123 Ca N5 -","- C83 H123 Ca N5 -","- C332 H492 Ca4 N20 -","4","1","","Thum, Stefan; Mai, Jonathan; Schmidt, Marcel A.; Langer, Jens; Harder, Sjoerd","Reductive cyclotrimerization of CO and isonitriles with a highly reactive CaI synthon","Chemical Science","2025","16","26","12058","12067","10.1039/D5SC02829A","","x-ray","1.54184","CuKα","","0.0515","0.0427","","","0.1048","0.1119","","","","","","1.025","","","","has coordinates,has disorder","300575","2025-07-06","14:04:50",""
"1574741","18.2798","0.0002","18.3492","0.0002","27.9435","0.0003","77.99","0.001","77.694","0.001","75.337","0.001","8740.62","0.17","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C184 H294 Ca4 N8 O9 -","- C184.001 H294.001 Ca4 N8 O9 -","- C368.002 H588.003 Ca8 N16 O18 -","2","1","","Thum, Stefan; Mai, Jonathan; Schmidt, Marcel A.; Langer, Jens; Harder, Sjoerd","Reductive cyclotrimerization of CO and isonitriles with a highly reactive CaI synthon","Chemical Science","2025","16","26","12058","12067","10.1039/D5SC02829A","","x-ray","1.54184","CuKα","","0.0741","0.0648","","","0.1776","0.1878","","","","","","1.017","","","","has coordinates,has disorder","300575","2025-07-06","14:04:50",""
"1574745","26.4619","0.0003","6.3388","0.0001","26.1419","0.0003","90","","101.877","0.001","90","","4291.08","0.1","300.69","0.1","300.69","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H34 N2 O4 -","- C20 H34 N2 O4 -","- C160 H272 N16 O32 -","8","1","","Zhang, Fangqing; Xu, Chun; Zhang, Zichun; Yang, Zhuang; Peng, Tao; Shao, Wen; Feng, Xiaoming; Liu, Yangbin","Synthesis of polysubstituted cyclobutanes through a photoredox strain-release/[3,3]-rearrangement cascade","Chemical Science","2025","16","25","11508","11518","10.1039/D5SC01431J","","x-ray","1.54184","CuKα","","0.0784","0.0725","","","0.2273","0.2345","","","","","","1.078","","","","has coordinates","300617","2025-07-06","14:22:57",""
"1574746","9.7265","0.0002","14.7461","0.0002","12.5014","0.0002","90","","108.624","0.002","90","","1699.16","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C76 H96 N8 O8 -","4","1","","Zhang, Fangqing; Xu, Chun; Zhang, Zichun; Yang, Zhuang; Peng, Tao; Shao, Wen; Feng, Xiaoming; Liu, Yangbin","Synthesis of polysubstituted cyclobutanes through a photoredox strain-release/[3,3]-rearrangement cascade","Chemical Science","2025","16","25","11508","11518","10.1039/D5SC01431J","","x-ray","1.54184","CuKα","","0.0408","0.0376","","","0.0956","0.0979","","","","","","1.037","","","","has coordinates,has disorder","300617","2025-07-06","14:22:57",""
"1574747","33.347","0.0004","33.347","0.0004","33.347","0.0004","90","","90","","90","","37082.6","0.8","100","","100","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C320 H480 Au Cu56 O36 S44 -","- C320 H480 Au Cu55.9996 O36 S44 -","- C1280 H1920 Au4 Cu223.998 O144 S176 -","4","0.166667","","Gratious, Saniya; Li, Bo; Mondal, Dipanjana; Kumar, Alok; Varghese, Dayona Aleyamma; Thomas, Jibin; Jiang, De-en; Kamble, Vinayak; Mandal, Sukhendu","Identifying the superatomic AuCu56 nanocluster through a ligand-exchange coupled metal-exchange induced transformation","Chemical Science","2025","16","26","11849","11857","10.1039/D5SC02515J","","","0.71073","MoKα","","0.1212","0.0825","","","0.1909","0.2206","","","","","","1.055","","","","has coordinates,has disorder","300574","2025-07-06","14:04:24",""
"1574748","20.8735","0.0002","21.7898","0.0002","23.7135","0.0003","63.3967","0.0011","73.8571","0.0011","62.094","0.0012","8490.27","0.19","100","","100","","","","","","","","","6","P -1","-P 1","2","","[Ce24O28(OH)8(OOCC6H4(4-F))30(py)4]2(py)12","","- C340 H254 Ce24 F30 N26 O96 -","- C340 H254 Ce24 F30 N26 O96 -","- C340 H254 Ce24 F30 N26 O96 -","1","0.5","","Brown, Stephen E.; Pike, Sebastian D.","Photoabsorption of 1–2 nm molecular Ce-oxo nanoclusters versus ceria: intervalence charge transfer but no size effects","Chemical Science","2025","16","25","11659","11668","10.1039/D5SC00905G","","","0.71073","MoKα","","0.0537","0.0388","","0.1209","0.1009","0.1209","","","","","","1.0426","","","","has coordinates,has disorder","300619","2025-07-06","14:26:04",""
"1574749","26.0526","0.0005","42.5286","0.0007","35.9018","0.0006","90","","90","","90","","39778.5","1.2","200","","200","","","","","","","","","5","P b c n","-P 2n 2ab","60","","[Ce24O28(OH)8(OOCC10H7)30(py)4]","","- C400 H284 Ce24 N14 O96 -","- C400 H284 Ce24 N14 O96 -","- C1600 H1136 Ce96 N56 O384 -","4","0.5","","Brown, Stephen E.; Pike, Sebastian D.","Photoabsorption of 1–2 nm molecular Ce-oxo nanoclusters versus ceria: intervalence charge transfer but no size effects","Chemical Science","2025","16","25","11659","11668","10.1039/D5SC00905G","","","0.71073","MoKα","","0.1581","0.0777","","0.2566","0.1886","0.2566","","","","","","0.992","","","","has coordinates","300619","2025-07-06","14:26:04",""
"1574750","14.1138","0.0001","14.1138","0.0001","93.9953","0.0006","90","","90","","120","","16215.3","0.19","100","","100","","","","","","","","","5","P 65","P 65","170","","[Ce(OOCCH2tBu)3(py)]","","- C92 H152 Ce4 N4 O24 -","- C92 H152 Ce4 N4 O24 -","- C552 H912 Ce24 N24 O144 -","6","1","","Brown, Stephen E.; Pike, Sebastian D.","Photoabsorption of 1–2 nm molecular Ce-oxo nanoclusters versus ceria: intervalence charge transfer but no size effects","Chemical Science","2025","16","25","11659","11668","10.1039/D5SC00905G","","","0.71073","MoKα","","0.1021","0.0978","","0.2642","0.2617","0.2642","","","","","","1.0644","","","","has coordinates","300619","2025-07-06","14:26:04",""
"1574751","20.7633","0.000014","21.881899","0.000014","38.498501","0.000017","84.238","0.0018","82.416","0.0018","84.442","0.0018","17188.7","0.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","[Ce24O28(OH)8(OOCC6H4(4-F))30(py)4]2(py)12","","- C260 H170 Ce24 F30 N10 O96 -","- C260 H170 Ce24 F30 N10 O96 -","- C520 H340 Ce48 F60 N20 O192 -","2","1","","Brown, Stephen E.; Pike, Sebastian D.","Photoabsorption of 1–2 nm molecular Ce-oxo nanoclusters versus ceria: intervalence charge transfer but no size effects","Chemical Science","2025","16","25","11659","11668","10.1039/D5SC00905G","","","1.5418","CuKα","","0.1082","0.09","","0.3085","0.2833","0.3085","","","","","","1.0072","","","","has coordinates","300619","2025-07-06","14:26:04",""
"1574752","21.8344","0.000017","26.493099","0.000017","25.106501","0.000014","90","","90.701","0.0018","90","","14522","0.018","100","","100","","","","","","","","MASB 4.14 UoW","5","P 1 21/n 1","-P 2yn","14","","[Ce24O28(OH)8(OOCPh)30(Py)4](Py)14","","- C300 H230 Ce24 N18 O96 -","- C280 H224 Ce24 N14 O96 -","- C560 H448 Ce48 N28 O192 -","2","0.5","","Brown, Stephen E.; Pike, Sebastian D.","Photoabsorption of 1–2 nm molecular Ce-oxo nanoclusters versus ceria: intervalence charge transfer but no size effects","Chemical Science","2025","16","25","11659","11668","10.1039/D5SC00905G","","","0.71073","MoKα","","0.0794","0.0541","","0.1689","0.1479","0.1684","","","","","","0.9989","","","","has coordinates,has disorder","300619","2025-07-06","14:26:04",""
"1574753","36.1757","0.0006","25.1668","0.0004","42.5226","0.0008","90","","110.7","0.002","90","","36214.5","1.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Ce24O28(OH)8(OOCC6H4(4-OMe))30(py)4](py)11","","- C315 H287 Ce24 N15 O126 -","- C315 H287 Ce24 N15 O126 -","- C1260 H1148 Ce96 N60 O504 -","4","1","","Brown, Stephen E.; Pike, Sebastian D.","Photoabsorption of 1–2 nm molecular Ce-oxo nanoclusters versus ceria: intervalence charge transfer but no size effects","Chemical Science","2025","16","25","11659","11668","10.1039/D5SC00905G","","","0.71073","MoKα","","0.1467","0.1024","","0.4361","0.3745","0.4361","","","","","","1.7423","","","","has coordinates","300619","2025-07-06","14:26:04",""
"1574754","23.5031","0.0002","24.4019","0.0002","32.8406","0.0003","90.467","0.0007","95.3987","0.0008","91.1491","0.0007","18746.5","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","[Ce24O28(OH)8(OOCPhMe)30(Py)4]2(Py)53","","- C365 H335 Ce24 N25 O96 -","- C365 H335 Ce24 N25 O96 -","- C730 H670 Ce48 N50 O192 -","2","1","","Brown, Stephen E.; Pike, Sebastian D.","Photoabsorption of 1–2 nm molecular Ce-oxo nanoclusters versus ceria: intervalence charge transfer but no size effects","Chemical Science","2025","16","25","11659","11668","10.1039/D5SC00905G","","","0.71073","MoKα","","0.0821","0.0491","","0.1331","0.1174","0.1331","","","","","","0.9635","","","","has coordinates","300619","2025-07-06","14:26:04",""
"1574755","43.6537","0.0003","27.5054","0.0002","40.9209","0.0003","90","","103.985","0.0008","90","","47677.8","0.6","100","","100","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","[Ce24O28(OH)8(OOCPhtBu)30(Py)4](py)10","","- C400 H464 Ce24 N14 O96 -","- C400 H464 Ce24 N14 O96 -","- C1600 H1856 Ce96 N56 O384 -","4","1","","Brown, Stephen E.; Pike, Sebastian D.","Photoabsorption of 1–2 nm molecular Ce-oxo nanoclusters versus ceria: intervalence charge transfer but no size effects","Chemical Science","2025","16","25","11659","11668","10.1039/D5SC00905G","","","0.71073","MoKα","","0.114","0.114","","0.3748","0.3748","0.3748","","","","","","1.87","","","","has coordinates","300619","2025-07-06","14:26:04",""
"1574756","20.6719","0.0004","6.0409","0.0001","8.4029","0.0002","90","","97.775","0.001","90","","1039.68","0.04","213","","213","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 I Na O4 S -","- C7 H6 I Na O4 S -","- C28 H24 I4 Na4 O16 S4 -","4","1","","Xia, Zhen; Deng, Ting; Song, Chunlan; Li, Jiakun","Decarboxylative sulfation by persulfates","Chemical Science","2025","16","25","11568","11573","10.1039/D5SC03129J","","","1.34139","GaKα","","0.0893","0.0866","","","0.246","0.252","","","","","","1.161","","","","has coordinates","300624","2025-07-06","14:27:26",""
"1574757","9.9445","0.0006","11.2448","0.0005","13.1854","0.0008","94.789","0.002","109.861","0.002","99.596","0.002","1351.64","0.13","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H72 Cl6 N6 O27 Pr2 -","- C26 H54 Cl6 N6 O27 Pr2 -","- C26 H54 Cl6 N6 O27 Pr2 -","1","0.5","","Faltejsek, Jan; Urbanovský, Peter; Kubíček, Vojtěch; Havlíčková, Jana; Císařová, Ivana; Kotek, Jan; Hermann, Petr","Extraordinary kinetic inertness of lanthanide(iii) complexes of pyridine-rigidified 18-membered hexaazamacrocycles with four acetate pendant arms.","Chemical science","2025","16","27","12558","12567","10.1039/d5sc01893e","","","0.71073","MoKα","","0.0659","0.048","","","0.1193","0.13","","","","","","1.039","","","","has coordinates,has disorder","301547","2025-08-05","21:18:43",""
"1574758","11.1441","0.0015","37.436","0.005","14.4231","0.0019","90","","90.594","0.004","90","","6016.9","1.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H37 Eu N6 O11 -","- C26 H37 Eu N6 O11 -","- C208 H296 Eu8 N48 O88 -","8","2","","Faltejsek, Jan; Urbanovský, Peter; Kubíček, Vojtěch; Havlíčková, Jana; Císařová, Ivana; Kotek, Jan; Hermann, Petr","Extraordinary kinetic inertness of lanthanide(iii) complexes of pyridine-rigidified 18-membered hexaazamacrocycles with four acetate pendant arms.","Chemical science","2025","16","27","12558","12567","10.1039/d5sc01893e","","","0.71073","MoKα","","0.0707","0.0631","","","0.1647","0.1726","","","","","","1.084","","","","has coordinates,has disorder","301547","2025-08-05","21:18:44",""
"1574759","22.176","0.0008","12.8958","0.0005","12.8625","0.0005","90","","109.236","0.001","90","","3473","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H44 Cl4 N6 O11 -","- C26 H38 Cl4 N6 O8 -","- C104 H152 Cl16 N24 O32 -","4","0.5","","Faltejsek, Jan; Urbanovský, Peter; Kubíček, Vojtěch; Havlíčková, Jana; Císařová, Ivana; Kotek, Jan; Hermann, Petr","Extraordinary kinetic inertness of lanthanide(iii) complexes of pyridine-rigidified 18-membered hexaazamacrocycles with four acetate pendant arms.","Chemical science","2025","16","27","12558","12567","10.1039/d5sc01893e","","","1.54178","CuKα","","0.0479","0.0457","","","0.1439","0.1463","","","","","","1.057","","","","has coordinates","301547","2025-08-05","21:18:44",""
"1574760","21.9337","0.0005","5.4237","0.0001","9.0915","0.0002","90","","90","","90","","1081.54","0.04","120","2","120","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- C18 H34 N6 O4 -","- C18 H34 N6 O4 -","- C36 H68 N12 O8 -","2","0.25","","Faltejsek, Jan; Urbanovský, Peter; Kubíček, Vojtěch; Havlíčková, Jana; Císařová, Ivana; Kotek, Jan; Hermann, Petr","Extraordinary kinetic inertness of lanthanide(iii) complexes of pyridine-rigidified 18-membered hexaazamacrocycles with four acetate pendant arms.","Chemical science","2025","16","27","12558","12567","10.1039/d5sc01893e","","","0.71073","MoKα","","0.0356","0.0341","","","0.0903","0.0938","","","","","","1.098","","","","has coordinates","301547","2025-08-05","21:18:44",""
"1574761","16.5314","0.0006","19.3002","0.0007","9.6305","0.0004","90","","93.348","0.001","90","","3067.5","0.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H39 Cl2 N6 O11 Pr -","- C26 H39 Cl2 N6 O11 Pr -","- C104 H156 Cl8 N24 O44 Pr4 -","4","0.5","","Faltejsek, Jan; Urbanovský, Peter; Kubíček, Vojtěch; Havlíčková, Jana; Císařová, Ivana; Kotek, Jan; Hermann, Petr","Extraordinary kinetic inertness of lanthanide(iii) complexes of pyridine-rigidified 18-membered hexaazamacrocycles with four acetate pendant arms.","Chemical science","2025","16","27","12558","12567","10.1039/d5sc01893e","","","0.71073","MoKα","","0.0439","0.0426","","","0.1228","0.1237","","","","","","1.238","","","","has coordinates,has disorder","301547","2025-08-05","21:18:44",""
"1574762","12.6858","0.0005","12.9121","0.0004","20.6862","0.0008","93.56","0.001","96.977","0.002","90.562","0.001","3356.3","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H50 N6 O16 -","- C26 H34 N6 O8 -","- C104 H136 N24 O32 -","4","2","","Faltejsek, Jan; Urbanovský, Peter; Kubíček, Vojtěch; Havlíčková, Jana; Císařová, Ivana; Kotek, Jan; Hermann, Petr","Extraordinary kinetic inertness of lanthanide(iii) complexes of pyridine-rigidified 18-membered hexaazamacrocycles with four acetate pendant arms.","Chemical science","2025","16","27","12558","12567","10.1039/d5sc01893e","","","0.71073","MoKα","","0.0678","0.0543","","","0.144","0.1523","","","","","","1.029","","","","has coordinates","301547","2025-08-05","21:18:44",""
"1574763","9.8498","0.0008","14.4593","0.001","15.2054","0.0013","71.824","0.003","84.744","0.003","85.628","0.003","2046.3","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H57 Eu N6 Na O21.5 -","- C26 H48 Eu N6 Na O21.5 -","- C52 H96 Eu2 N12 Na2 O43 -","2","1","","Faltejsek, Jan; Urbanovský, Peter; Kubíček, Vojtěch; Havlíčková, Jana; Císařová, Ivana; Kotek, Jan; Hermann, Petr","Extraordinary kinetic inertness of lanthanide(iii) complexes of pyridine-rigidified 18-membered hexaazamacrocycles with four acetate pendant arms.","Chemical science","2025","16","27","12558","12567","10.1039/d5sc01893e","","","0.71073","MoKα","","0.041","0.0397","","","0.1084","0.1103","","","","","","1.046","","","","has coordinates,has disorder","301547","2025-08-05","21:18:44",""
"1574764","19.8316","0.0016","19.2254","0.0014","19.0053","0.0015","90","","95.647","0.003","90","","7211","1","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H42 Cl N6 O13 Pr -","- C26 H32 Cl N6 O9 Pr -","- C208 H256 Cl8 N48 O72 Pr8 -","8","1","","Faltejsek, Jan; Urbanovský, Peter; Kubíček, Vojtěch; Havlíčková, Jana; Císařová, Ivana; Kotek, Jan; Hermann, Petr","Extraordinary kinetic inertness of lanthanide(iii) complexes of pyridine-rigidified 18-membered hexaazamacrocycles with four acetate pendant arms.","Chemical science","2025","16","27","12558","12567","10.1039/d5sc01893e","","","0.71073","MoKα","","0.0607","0.0549","","","0.1318","0.1358","","","","","","1.241","","","","has coordinates,has disorder","301547","2025-08-05","21:18:44",""
"1574771","11.006","0.003","7.772","0.002","18.214","0.004","90","","93.509","0.004","90","","1555.1","0.7","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cr2 O20 S4 -","- C20 H26 Cr2 O20 S4 -","- C40 H52 Cr4 O40 S8 -","2","0.5","","Yang, Fan; Kong, Xiang-Jing; He, Tao; Zhang, Zhengqing; Wang, Ke; Du, Honglin; Cai, Guohong; Ju, Jing; Wang, Xiaoge; Li, Jian-Rong; Sun, Junliang; Zhong, Chongli","Solvent-free construction of Cr(iii)-sulfonate coordination polymers","Chemical Science","2025","16","26","11823","11832","10.1039/D5SC03014E","","","0.0251","electron","","0.3998","0.2466","","","0.5482","0.6155","","","","","","1.621","","","","has coordinates","300566","2025-07-06","14:01:11",""
"1574772","9.9289","0.0012","9.5629","0.001","15.88","0.0017","90","","103.656","0.003","90","","1465.2","0.3","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Cr O11 S3 -","- C9 H10 Cr O11 S3 -","- C36 H40 Cr4 O44 S12 -","4","1","","Yang, Fan; Kong, Xiang-Jing; He, Tao; Zhang, Zhengqing; Wang, Ke; Du, Honglin; Cai, Guohong; Ju, Jing; Wang, Xiaoge; Li, Jian-Rong; Sun, Junliang; Zhong, Chongli","Solvent-free construction of Cr(iii)-sulfonate coordination polymers","Chemical Science","2025","16","26","11823","11832","10.1039/D5SC03014E","","","0.0251","electron","","0.2979","0.2203","","","0.4813","0.5488","","","","","","1.535","","","","has coordinates","300566","2025-07-06","14:01:12",""
"1574773","11.0056","0.0007","23.4923","0.0013","7.6371","0.0004","90","","97.235","0.002","90","","1958.83","0.19","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cr O13 S3 -","- C15 H17 Cr O13 S3 -","- C60 H68 Cr4 O52 S12 -","4","1","","Yang, Fan; Kong, Xiang-Jing; He, Tao; Zhang, Zhengqing; Wang, Ke; Du, Honglin; Cai, Guohong; Ju, Jing; Wang, Xiaoge; Li, Jian-Rong; Sun, Junliang; Zhong, Chongli","Solvent-free construction of Cr(iii)-sulfonate coordination polymers","Chemical Science","2025","16","26","11823","11832","10.1039/D5SC03014E","","","0.0251","electron","","0.4603","0.3224","","","0.5995","0.709","","","","","","2.079","","","","has coordinates","300566","2025-07-06","14:01:21",""
"1574774","10.666","0.007","6.555","0.004","11.7","0.008","90","","92.118","0.018","90","","817.5","0.9","180","2","180","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H7 Cr O11 S2 -","- C12 H7 Cr O11 S2 -","- C24 H14 Cr2 O22 S4 -","2","0.5","","Yang, Fan; Kong, Xiang-Jing; He, Tao; Zhang, Zhengqing; Wang, Ke; Du, Honglin; Cai, Guohong; Ju, Jing; Wang, Xiaoge; Li, Jian-Rong; Sun, Junliang; Zhong, Chongli","Solvent-free construction of Cr(iii)-sulfonate coordination polymers","Chemical Science","2025","16","26","11823","11832","10.1039/D5SC03014E","","","0.0251","electron","","0.2761","0.2099","","","0.4918","0.537","","","","","","1.735","","","","has coordinates","300566","2025-07-06","14:01:29",""
"1574776","14.31918","0.00016","51.9317","0.0008","19.4811","0.0002","90","","91.266","0.001","90","","14483","0.3","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C189.15 H185.84 Cl24 N29.26 O3.62 Pd12 -","- C189.102 H185.79 Cl24 N29.252 O3.611 Pd12 -","- C378.204 H371.58 Cl48 N58.504 O7.222 Pd24 -","2","1","","Tashiro, Shohei; Nakata, Kosuke; Hayashi, Ryunosuke; Shionoya, Mitsuhiko","Shape sorting of two distinct amino acid residues at the multiple binding sites of a porous metal-macrocycle framework.","Chemical science","2025","16","27","12303","12308","10.1039/d5sc00795j","","","0.71075","MoKα","","0.1037","0.0939","","","0.2748","0.2836","","","","","","1.202","","","","has coordinates,has disorder","301540","2025-08-05","21:16:33",""
"1574777","14.31918","0.00016","51.9317","0.0008","19.4811","0.0002","90","","91.266","0.001","90","","14483","0.3","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C190.16 H189.64 Cl24 N29.41 O3.18 Pd12 -","- C190.11 H189.6 Cl24 N29.41 O3.18 Pd12 -","- C380.22 H379.2 Cl48 N58.82 O6.36 Pd24 -","2","1","","Tashiro, Shohei; Nakata, Kosuke; Hayashi, Ryunosuke; Shionoya, Mitsuhiko","Shape sorting of two distinct amino acid residues at the multiple binding sites of a porous metal-macrocycle framework.","Chemical science","2025","16","27","12303","12308","10.1039/d5sc00795j","","","0.71075","MoKα","","0.1058","0.0959","","","0.2813","0.2901","","","","","","1.229","","","","has coordinates","301540","2025-08-05","21:16:37",""
"1574778","14.3167","0.0003","52.183","0.001","19.5516","0.0004","90","","91.168","0.001","90","","14603.7","0.5","93","2","93.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C205.13 H211.99 Cl24 N33.58 O8.86 Pd12 -","- C205.136 H211.991 Cl24 N33.583 O8.857 Pd12 -","- C410.272 H423.982 Cl48 N67.166 O17.714 Pd24 -","2","1","","Tashiro, Shohei; Nakata, Kosuke; Hayashi, Ryunosuke; Shionoya, Mitsuhiko","Shape sorting of two distinct amino acid residues at the multiple binding sites of a porous metal-macrocycle framework.","Chemical science","2025","16","27","12303","12308","10.1039/d5sc00795j","","","0.71075","MoKα","","0.1251","0.0791","","","0.2171","0.2522","","","","","","1.031","","","","has coordinates,has disorder","301540","2025-08-05","21:16:37",""
"1574779","14.3191","0.0003","52.5328","0.001","19.6294","0.0004","90","","91.234","0.001","90","","14762.3","0.5","93","2","93.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C200.14 H203.01 Cl24 N31.63 O10.62 Pd12 -","- C200.138 H203.004 Cl24 N31.63 O10.624 Pd12 -","- C400.276 H406.008 Cl48 N63.26 O21.248 Pd24 -","2","1","","Tashiro, Shohei; Nakata, Kosuke; Hayashi, Ryunosuke; Shionoya, Mitsuhiko","Shape sorting of two distinct amino acid residues at the multiple binding sites of a porous metal-macrocycle framework.","Chemical science","2025","16","27","12303","12308","10.1039/d5sc00795j","","","0.71075","MoKα","","0.0964","0.0702","","","0.2014","0.2229","","","","","","1.031","","","","has coordinates,has disorder","301540","2025-08-05","21:16:37",""
"1574780","20.8662","","20.8662","","3.1649","","90","","90","","120","","1193.38","","293","","293","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Zn3(HOTP)2","","- C36 H12 O12 Zn3 -","- C12 H4 O4 Zn -","- C36 H12 O12 Zn3 -","3","0.125","","Zhang, Kimberly J.; Chen, Tianyang; Oppenheim, Julius J.; Yang, Luming; Palatinus, Lukáš; Müller, Peter; Van Voorhis, Troy; Dincă, Mircea","High-resolution structure of Zn<sub>3</sub>(HOTP)<sub>2</sub> (HOTP = hexaoxidotriphenylene), a three-dimensional conductive MOF.","Chemical science","2025","16","27","12416","12420","10.1039/d5sc00894h","","electron","0.0251","electron","","0.2904","0.1992","","","0.2259","0.2392","","","","4.4582","4.4582","3.0896","","","","has coordinates","301543","2025-08-05","21:17:21",""
"1574781","20.8662","","20.8662","","9.4948","","90","","90","","120","","3580.17","","293","","293","","","","","","","","","4","P -6 2 c","P -6c -2c","190","","Zn3(HOTP)2","","- C36 H12 O12 Zn3 -","- C12 H4 O4 Zn -","- C108 H36 O36 Zn9 -","9","0.75","","Zhang, Kimberly J.; Chen, Tianyang; Oppenheim, Julius J.; Yang, Luming; Palatinus, Lukáš; Müller, Peter; Van Voorhis, Troy; Dincă, Mircea","High-resolution structure of Zn<sub>3</sub>(HOTP)<sub>2</sub> (HOTP = hexaoxidotriphenylene), a three-dimensional conductive MOF.","Chemical science","2025","16","27","12416","12420","10.1039/d5sc00894h","","electron","0.0251","electron","","0.2904","0.1992","","","0.2259","0.2392","","","","4.4582","4.4582","3.0896","","","","has coordinates","301543","2025-08-05","21:17:21",""
"1574783","7.2268","0.0004","7.9865","0.0006","9.2053","0.0008","103.537","0.007","92.512","0.006","108.209","0.006","486.72","0.07","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C9 H12 N2 O2 S -","- C9 H12 N2 O2 S -","- C18 H24 N4 O4 S2 -","2","1","","Knez, Damijan; Šterman, Andrej; Sosič, Izidor; Perdih, Franc; Nuñez, Gonzalo D.; Knaflič, Tilen; Arčon, Denis; Besora, Maria; Carbó, Jorge J.; Fernández, Elena; Časar, Zdenko","Access to amidines via C(sp2)–N coupling of trifluoroborate-iminiums with N-fluorobenzenesulfonimide","Chemical Science","2025","16","26","12012","12023","10.1039/D5SC02912K","","x-ray","0.71073","MoKα","","0.0552","0.0409","","","0.0872","0.0979","","","","","","1.072","","","","has coordinates","300565","2025-07-06","14:00:43",""
"1574784","7.626","0.0001","10.8033","0.0002","36.368","0.0007","90","","90","","90","","2996.21","0.09","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H16 N2 O4 S -","- C16 H16 N2 O4 S -","- C128 H128 N16 O32 S8 -","8","1","","Knez, Damijan; Šterman, Andrej; Sosič, Izidor; Perdih, Franc; Nuñez, Gonzalo D.; Knaflič, Tilen; Arčon, Denis; Besora, Maria; Carbó, Jorge J.; Fernández, Elena; Časar, Zdenko","Access to amidines via C(sp2)–N coupling of trifluoroborate-iminiums with N-fluorobenzenesulfonimide","Chemical Science","2025","16","26","12012","12023","10.1039/D5SC02912K","","","1.54184","CuKα","","0.0552","0.0476","","","0.1204","0.129","","","","","","1.066","","","","has coordinates","300565","2025-07-06","14:00:45",""
"1574785","8.5033","0.0003","23.1754","0.0007","20.2967","0.0006","90","","92.005","0.003","90","","3997.4","0.2","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl N2 O2 S -","- C13 H11 Cl N2 O2 S -","- C156 H132 Cl12 N24 O24 S12 -","12","3","","Knez, Damijan; Šterman, Andrej; Sosič, Izidor; Perdih, Franc; Nuñez, Gonzalo D.; Knaflič, Tilen; Arčon, Denis; Besora, Maria; Carbó, Jorge J.; Fernández, Elena; Časar, Zdenko","Access to amidines via C(sp2)–N coupling of trifluoroborate-iminiums with N-fluorobenzenesulfonimide","Chemical Science","2025","16","26","12012","12023","10.1039/D5SC02912K","","x-ray","0.71073","MoKα","","0.0469","0.0357","","","0.0841","0.0899","","","","","","1.035","","","","has coordinates","300565","2025-07-06","14:00:53",""
"1574786","8.4203","0.0006","17.4676","0.001","7.2129","0.0005","90","","110.069","0.008","90","","996.47","0.13","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N2 O2 S -","- C10 H12 N2 O2 S -","- C40 H48 N8 O8 S4 -","4","1","","Knez, Damijan; Šterman, Andrej; Sosič, Izidor; Perdih, Franc; Nuñez, Gonzalo D.; Knaflič, Tilen; Arčon, Denis; Besora, Maria; Carbó, Jorge J.; Fernández, Elena; Časar, Zdenko","Access to amidines via C(sp2)–N coupling of trifluoroborate-iminiums with N-fluorobenzenesulfonimide","Chemical Science","2025","16","26","12012","12023","10.1039/D5SC02912K","","x-ray","0.71073","MoKα","","0.0492","0.0367","","","0.0877","0.0948","","","","","","1.025","","","","has coordinates","300565","2025-07-06","14:00:53",""
"1574787","11.5242","0.0002","9.8469","0.0002","10.7702","0.0002","90","","98.211","0.002","90","","1209.65","0.04","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N2 O2 S2 -","- C11 H10 N2 O2 S2 -","- C44 H40 N8 O8 S8 -","4","1","","Knez, Damijan; Šterman, Andrej; Sosič, Izidor; Perdih, Franc; Nuñez, Gonzalo D.; Knaflič, Tilen; Arčon, Denis; Besora, Maria; Carbó, Jorge J.; Fernández, Elena; Časar, Zdenko","Access to amidines via C(sp2)–N coupling of trifluoroborate-iminiums with N-fluorobenzenesulfonimide","Chemical Science","2025","16","26","12012","12023","10.1039/D5SC02912K","","","1.54184","CuKα","","0.0398","0.0359","","","0.0982","0.102","","","","","","1.045","","","","has coordinates","300565","2025-07-06","14:00:53",""
"1574788","7.816","0.0002","5.549","0.0001","16.7197","0.0004","90","","97.198","0.002","90","","719.43","0.03","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H16 N2 O3 S -","- C15 H16 N2 O3 S -","- C30 H32 N4 O6 S2 -","2","1","","Knez, Damijan; Šterman, Andrej; Sosič, Izidor; Perdih, Franc; Nuñez, Gonzalo D.; Knaflič, Tilen; Arčon, Denis; Besora, Maria; Carbó, Jorge J.; Fernández, Elena; Časar, Zdenko","Access to amidines via C(sp2)–N coupling of trifluoroborate-iminiums with N-fluorobenzenesulfonimide","Chemical Science","2025","16","26","12012","12023","10.1039/D5SC02912K","","","1.54184","CuKα","","0.0408","0.039","","","0.1033","0.1053","","","","","","1.069","","","","has coordinates","300565","2025-07-06","14:00:53",""
"1574789","14.3193","0.0002","7.0764","0.0001","27.0199","0.0003","90","","90","","90","","2737.9","0.06","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H14 N2 O3 S -","- C14 H14 N2 O3 S -","- C112 H112 N16 O24 S8 -","8","1","","Knez, Damijan; Šterman, Andrej; Sosič, Izidor; Perdih, Franc; Nuñez, Gonzalo D.; Knaflič, Tilen; Arčon, Denis; Besora, Maria; Carbó, Jorge J.; Fernández, Elena; Časar, Zdenko","Access to amidines via C(sp2)–N coupling of trifluoroborate-iminiums with N-fluorobenzenesulfonimide","Chemical Science","2025","16","26","12012","12023","10.1039/D5SC02912K","","","1.54184","CuKα","","0.0452","0.0388","","","0.1026","0.1106","","","","","","1.069","","","","has coordinates","300565","2025-07-06","14:00:53",""
"1574790","8.5461","0.0002","23.147","0.0007","20.3641","0.0006","90","","92.362","0.003","90","","4024.93","0.19","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O2 S -","- C14 H14 N2 O2 S -","- C168 H168 N24 O24 S12 -","12","3","","Knez, Damijan; Šterman, Andrej; Sosič, Izidor; Perdih, Franc; Nuñez, Gonzalo D.; Knaflič, Tilen; Arčon, Denis; Besora, Maria; Carbó, Jorge J.; Fernández, Elena; Časar, Zdenko","Access to amidines via C(sp2)–N coupling of trifluoroborate-iminiums with N-fluorobenzenesulfonimide","Chemical Science","2025","16","26","12012","12023","10.1039/D5SC02912K","","x-ray","0.71073","MoKα","","0.0483","0.0375","","","0.0908","0.0972","","","","","","1.037","","","","has coordinates","300565","2025-07-06","14:00:53",""
"1574791","7.4981","0.0005","16.7375","0.0012","18.9431","0.0013","90","","90","","90","","2377.3","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O2 Si -","- C28 H27 N O2 Si -","- C112 H108 N4 O8 Si4 -","4","1","","Corcoran, James C.; Zhu, Jin; Semenick, Mason A.; Welser, Anna L.; Wang, Yi-Ming","Intramolecular asymmetric propargylation of esters and imides: C-H functionalisation enables stereocontrolled access to UCS1025A.","Chemical science","2025","16","28","12879","12884","10.1039/d5sc02523k","","","0.71073","MoKα","","0.0469","0.0371","","","0.0843","0.0893","","","","","","1.023","","","","has coordinates","301537","2025-08-05","21:15:18",""
"1574792","10.7177","0.0019","11.995","0.003","15.986","0.003","90","","90","","90","","2055.1","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O2 Si -","- C23 H25 N O2 Si -","- C92 H100 N4 O8 Si4 -","4","1","","Corcoran, James C.; Zhu, Jin; Semenick, Mason A.; Welser, Anna L.; Wang, Yi-Ming","Intramolecular asymmetric propargylation of esters and imides: C-H functionalisation enables stereocontrolled access to UCS1025A.","Chemical science","2025","16","28","12879","12884","10.1039/d5sc02523k","","","1.54184","","","0.0281","0.0277","","","0.0745","0.0748","","","","","","1.013","","","","has coordinates","301537","2025-08-05","21:15:18",""
"1574793","23.2091","0.0007","10.1744","0.0003","14.2246","0.0005","90","","113.837","0.001","90","","3072.45","0.17","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C2.77 H2.15 Cl0.15 F0.23 N0.08 O0.31 -","- C2.76923 H2.15385 Cl0.153846 F0.230769 N0.0769231 O0.307692 -","- C144 H112 Cl8 F12 N4 O16 -","52","13","","Mondal, Abdur Rouf Samim; Bapat, Nakul Abhay; Mishra, Harshita; Hari, Durga Prasad","Highly stereoselective synthesis of polysubstituted housanes and spiro-oxa-housanes: application and mechanistic insights.","Chemical science","2025","16","27","12350","12361","10.1039/d5sc02288f","","","0.71073","MoKα","","0.0609","0.055","","","0.1462","0.1503","","","","","","1.067","","","","has coordinates","301541","2025-08-05","21:16:54",""
"1574794","12.0072","0.0007","11.2445","0.0009","20.5394","0.0016","90","","91.189","0.003","90","","2772.5","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 Cl N O5 -","- C34 H19 Cl N O5 -","- C136 H76 Cl4 N4 O20 -","4","1","","Mondal, Abdur Rouf Samim; Bapat, Nakul Abhay; Mishra, Harshita; Hari, Durga Prasad","Highly stereoselective synthesis of polysubstituted housanes and spiro-oxa-housanes: application and mechanistic insights.","Chemical science","2025","16","27","12350","12361","10.1039/d5sc02288f","","","0.71073","MoKα","","0.1466","0.1115","","","0.252","0.271","","","","","","1.093","","","","has coordinates","301541","2025-08-05","21:16:55",""
"1574795","11.3001","0.0007","13.4126","0.0008","16.3714","0.0009","76.397","0.002","75.85","0.002","67.123","0.002","2189.3","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H40 F6 N2 O6 -","- C54 H40 F6 N2 O6 -","- C108 H80 F12 N4 O12 -","2","1","","Mondal, Abdur Rouf Samim; Bapat, Nakul Abhay; Mishra, Harshita; Hari, Durga Prasad","Highly stereoselective synthesis of polysubstituted housanes and spiro-oxa-housanes: application and mechanistic insights.","Chemical science","2025","16","27","12350","12361","10.1039/d5sc02288f","","x-ray","0.71073","MoKα","","0.1004","0.0829","","","0.1774","0.1858","","","","","","1.174","","","","has coordinates","301541","2025-08-05","21:16:55",""
"1574796","8.5086","0.0007","10.3951","0.0009","11.77","0.001","94.161","0.003","106.191","0.003","91.831","0.003","995.62","0.15","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H16 F4 O4 -","- C24 H16 F4 O4 -","- C48 H32 F8 O8 -","2","1","","Mondal, Abdur Rouf Samim; Bapat, Nakul Abhay; Mishra, Harshita; Hari, Durga Prasad","Highly stereoselective synthesis of polysubstituted housanes and spiro-oxa-housanes: application and mechanistic insights.","Chemical science","2025","16","27","12350","12361","10.1039/d5sc02288f","","","0.71073","MoKα","","0.0437","0.0402","","","0.1053","0.1079","","","","","","1.038","","","","has coordinates","301541","2025-08-05","21:16:55",""
"1574797","35.3662","0.0015","35.3662","0.0015","9.9973","0.0007","90","","90","","120","","10829","1","120","2","120","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C37.12 H28.61 N1.12 O3.38 -","- C37.125 H28.6076 N1.125 O3.375 -","- C594 H457.722 N18 O54 -","16","0.888889","","Mondal, Abdur Rouf Samim; Bapat, Nakul Abhay; Mishra, Harshita; Hari, Durga Prasad","Highly stereoselective synthesis of polysubstituted housanes and spiro-oxa-housanes: application and mechanistic insights.","Chemical science","2025","16","27","12350","12361","10.1039/d5sc02288f","","x-ray","0.71073","MoKα","","0.0766","0.0627","","","0.1518","0.1615","","","","","","0.993","","","","has coordinates,has disorder","301541","2025-08-05","21:16:55",""
"1574798","13.8273","0.001","7.352","0.0006","11.6565","0.001","90","","90.016","0.006","90","","1184.98","0.16","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H18 O -","- C14 H18 O -","- C56 H72 O4 -","4","2","","Gonzalez, Elijah C.; de la Torre Roehl, Isabel M.; Stoltz, Brian M.","Concise total synthesis of the cage-like sesquiterpenoid (+)-daphnepapytone A","Chemical Science","2025","16","25","11381","11385","10.1039/D5SC02952J","","","1.54178","CuKα","","0.0264","0.0258","","","0.0652","0.0654","","","","","","1.053","","","","has coordinates","300623","2025-07-06","14:27:19",""
"1574799","17.747","0.002","19.054","0.002","7.349","0.0006","90","","90","","90","","2485.1","0.4","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C120 H144 O16 -","8","2","","Gonzalez, Elijah C.; de la Torre Roehl, Isabel M.; Stoltz, Brian M.","Concise total synthesis of the cage-like sesquiterpenoid (+)-daphnepapytone A","Chemical Science","2025","16","25","11381","11385","10.1039/D5SC02952J","","","1.54178","CuKα","","0.0503","0.0374","","","0.0828","0.0897","","","","","","1.021","","","","has coordinates","300623","2025-07-06","14:27:19",""
"1574800","9.7645","0.0008","10.4864","0.0008","12.1839","0.0009","90","","90","","90","","1247.56","0.17","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C60 H72 O8 -","4","1","","Gonzalez, Elijah C.; de la Torre Roehl, Isabel M.; Stoltz, Brian M.","Concise total synthesis of the cage-like sesquiterpenoid (+)-daphnepapytone A","Chemical Science","2025","16","25","11381","11385","10.1039/D5SC02952J","","","1.54178","CuKα","","0.0294","0.0279","","","0.0733","0.0738","","","","","","1.069","","","","has coordinates","300623","2025-07-06","14:27:19",""
"1574801","9.6601","0.0012","6.2154","0.0007","11.633","0.0013","90","","90","","90","","698.46","0.14","296","2","296.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- B Ba S4 Sb -","- B Ba S4 Sb -","- B4 Ba4 S16 Sb4 -","4","0.5","","Zhang, Ming-Zhi; Zhao, Yue; Hu, Chun-Li; Mao, Jiang-Gao","BaSbBS<sub>4</sub>: a record-high-performance birefringent crystal identified by a target-driven closed-loop strategy.","Chemical science","2025","16","27","12577","12586","10.1039/d5sc01983d","","","0.71073","MoKα","","0.043","0.0342","","","0.0779","0.0845","","","","","","1.078","","","","has coordinates","301549","2025-08-05","21:19:01",""
"1574802","10.6394","0.0006","10.7112","0.0006","23.9695","0.0013","90.188","0.002","102.38","0.002","104.147","0.002","2582.7","0.3","170","","170","","","","","","","","","3","P -1","-P 1","2","","","","- C29 H40 O4 -","- C29 H40 O4 -","- C116 H160 O16 -","4","2","","Sun, Ruikang; Zhang, Pei; Yan, Yong; Zhu, Jie; Chen, Qirui; Yang, Chi; Lin, Aijun; Li, Xuanyi; Gao, Shang; Yao, Hequan","Single-carbon-atom transfer to <i>para</i>-quinone methides from TMSCF<sub>2</sub>Br.","Chemical science","2025","16","27","12324","12331","10.1039/d5sc03234b","","","0.71073","MoKα","","0.142","0.0866","","","0.222","0.2458","","","","","","1.049","","","","has coordinates","301546","2025-08-05","21:18:21",""
"1574803","12.9119","0.001","7.906","0.0007","22.6326","0.0018","90","","105.139","0.003","90","","2230.2","0.3","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H27 N O2 Si -","- C26 H27 N O2 Si -","- C104 H108 N4 O8 Si4 -","4","2","","Wu, Yichen; Qian, Hao-Yang; Zhang, Heng; Zou, Jian-Ye; Wu, Qing-Yan; Nie, Xiao-Xue; Zheng, Long; Peng, Qian; Wang, Peng","Rh-catalyzed enantioselective hydrosilylation of unactivated alkenes.","Chemical science","2025","16","27","12594","12602","10.1039/d5sc02711j","","","1.34139","GaKα","","0.1396","0.1022","","","0.2663","0.2951","","","","","","1.022","","","","has coordinates","301548","2025-08-05","21:18:54",""
"1574804","14.2417","0.0012","14.4218","0.0012","16.509","0.0015","90","","103.326","0.004","90","","3299.5","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H46 B2 N2 O2 -","- C38 H46 B2 N2 O2 -","- C152 H184 B8 N8 O8 -","4","0.5","","Wang, Yuyi; Shi, Tao; Yue, Ling; Zhou, Guijiang; Su, Bochao","Carbene-stabilized 6,12-diboraanthanthrenes: unveiling the multistage redox properties of polycyclic aromatic hydrocarbons featuring electron-rich boron centers.","Chemical science","2025","16","27","12510","12518","10.1039/d5sc02449h","","","0.71073","MoKα","","0.0766","0.0527","","","0.1312","0.1478","","","","","","1.06","","","","has coordinates","301545","2025-08-05","21:18:06",""
"1574805","10.5812","0.0005","19.2594","0.0011","29.9453","0.0016","90","","90","","90","","6102.5","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C60 H72 B2 N2 -","- C60 H72 B2 N2 -","- C240 H288 B8 N8 -","4","0.5","","Wang, Yuyi; Shi, Tao; Yue, Ling; Zhou, Guijiang; Su, Bochao","Carbene-stabilized 6,12-diboraanthanthrenes: unveiling the multistage redox properties of polycyclic aromatic hydrocarbons featuring electron-rich boron centers.","Chemical science","2025","16","27","12510","12518","10.1039/d5sc02449h","","","1.54178","CuKα","","0.0864","0.0642","","","0.1653","0.1852","","","","","","1.06","","","","has coordinates,has disorder","301545","2025-08-05","21:18:07",""
"1574806","13.2016","0.0003","13.5917","0.0003","27.9529","0.0008","90","","91.891","0.002","90","","5012.9","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C94 H136 B2 K2 N8 O14 -","- C94 H136 B2 K2 N8 O14 -","- C188 H272 B4 K4 N16 O28 -","2","0.5","","Wang, Yuyi; Shi, Tao; Yue, Ling; Zhou, Guijiang; Su, Bochao","Carbene-stabilized 6,12-diboraanthanthrenes: unveiling the multistage redox properties of polycyclic aromatic hydrocarbons featuring electron-rich boron centers.","Chemical science","2025","16","27","12510","12518","10.1039/d5sc02449h","","","1.54178","CuKα","","0.0937","0.0679","","","0.1767","0.1962","","","","","","1.086","","","","has coordinates","301545","2025-08-05","21:18:07",""
"1574807","12.3898","0.0006","17.0733","0.0008","19.6357","0.0009","109.541","0.002","106.403","0.002","93.078","0.002","3704.3","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H86 B2 F8 N4 Sb -","- C80 H86 B2 F8 N4 Sb -","- C160 H172 B4 F16 N8 Sb2 -","2","1","","Wang, Yuyi; Shi, Tao; Yue, Ling; Zhou, Guijiang; Su, Bochao","Carbene-stabilized 6,12-diboraanthanthrenes: unveiling the multistage redox properties of polycyclic aromatic hydrocarbons featuring electron-rich boron centers.","Chemical science","2025","16","27","12510","12518","10.1039/d5sc02449h","","","0.71073","MoKα","","0.0833","0.0542","","","0.1376","0.1574","","","","","","1.034","","","","has coordinates","301545","2025-08-05","21:18:07",""
"1574808","16.4468","0.001","9.5691","0.0006","19.4316","0.0012","90","","109.712","0.002","90","","2879","0.3","150","2","150","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C60 H72 B2 F6 N2 Sb -","- C60 H72 B2 F6 N2 Sb -","- C120 H144 B4 F12 N4 Sb2 -","2","0.5","","Wang, Yuyi; Shi, Tao; Yue, Ling; Zhou, Guijiang; Su, Bochao","Carbene-stabilized 6,12-diboraanthanthrenes: unveiling the multistage redox properties of polycyclic aromatic hydrocarbons featuring electron-rich boron centers.","Chemical science","2025","16","27","12510","12518","10.1039/d5sc02449h","","","0.71073","MoKα","","0.1028","0.0799","","","0.2112","0.2291","","","","","","1.073","","","","has coordinates","301545","2025-08-05","21:18:07",""
"1574809","14.9184","0.0006","17.1615","0.0007","20.7225","0.0009","90","","106.128","0.002","90","","5096.6","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H160 B2 K2 N6 O14 -","- C104 H160 B2 K2 N6 O14 -","- C208 H320 B4 K4 N12 O28 -","2","0.5","","Wang, Yuyi; Shi, Tao; Yue, Ling; Zhou, Guijiang; Su, Bochao","Carbene-stabilized 6,12-diboraanthanthrenes: unveiling the multistage redox properties of polycyclic aromatic hydrocarbons featuring electron-rich boron centers.","Chemical science","2025","16","27","12510","12518","10.1039/d5sc02449h","","","1.54178","CuKα","","0.0509","0.0455","","","0.1276","0.1328","","","","","","1.035","","","","has coordinates","301545","2025-08-05","21:18:07",""
"1574810","11.1662","0.0005","11.7494","0.0006","15.5317","0.0008","71.647","0.002","84.332","0.002","88.761","0.002","1924.5","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H114 B2 N4 O4 -","- C90 H114 B2 N4 O4 -","- C90 H114 B2 N4 O4 -","1","0.5","","Wang, Yuyi; Shi, Tao; Yue, Ling; Zhou, Guijiang; Su, Bochao","Carbene-stabilized 6,12-diboraanthanthrenes: unveiling the multistage redox properties of polycyclic aromatic hydrocarbons featuring electron-rich boron centers.","Chemical science","2025","16","27","12510","12518","10.1039/d5sc02449h","","","0.71073","MoKα","","0.1228","0.0847","","","0.2291","0.2634","","","","","","1.055","","","","has coordinates,has disorder","301545","2025-08-05","21:18:07",""
"1574811","12.4457","0.0007","27.8277","0.0017","13.024","0.0008","90","","95.719","0.002","90","","4488.2","0.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C76 H86 B2 Cl4 F12 N4 Sb2 -","- C76 H86 B2 Cl4 F12 N4 Sb2 -","- C152 H172 B4 Cl8 F24 N8 Sb4 -","2","0.5","","Wang, Yuyi; Shi, Tao; Yue, Ling; Zhou, Guijiang; Su, Bochao","Carbene-stabilized 6,12-diboraanthanthrenes: unveiling the multistage redox properties of polycyclic aromatic hydrocarbons featuring electron-rich boron centers.","Chemical science","2025","16","27","12510","12518","10.1039/d5sc02449h","","","0.71073","MoKα","","0.0982","0.0817","","","0.1734","0.1819","","","","","","1.119","","","","has coordinates","301545","2025-08-05","21:18:07",""
"1574812","11.1837","0.0011","32.5","0.003","21.1355","0.0019","90","","92.894","0.003","90","","7672.3","1.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H80 B2 F16 N2 Sb2 -","- C72 H80 B2 F16 N2 Sb2 -","- C288 H320 B8 F64 N8 Sb8 -","4","1","","Wang, Yuyi; Shi, Tao; Yue, Ling; Zhou, Guijiang; Su, Bochao","Carbene-stabilized 6,12-diboraanthanthrenes: unveiling the multistage redox properties of polycyclic aromatic hydrocarbons featuring electron-rich boron centers.","Chemical science","2025","16","27","12510","12518","10.1039/d5sc02449h","","","0.71073","MoKα","","0.0824","0.064","","","0.1579","0.1694","","","","","","1.032","","","","has coordinates","301545","2025-08-05","21:18:07",""
"1574813","10.0247","0.0004","10.519","0.0005","11.3139","0.0005","111.372","0.004","115.622","0.004","95.402","0.004","955.68","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H20 N2 O -","- C25 H20 N2 O -","- C50 H40 N4 O2 -","2","1","","Guo, Weihan; Zhao, Hua; Wang, Mingda; Si, Leilei; Yang, Kaixin; Xia, Guomin; Wang, Hongming","Intramolecular tension-driven self-recovering mechanochromism in organic microcrystals.","Chemical science","2025","16","29","13345","13351","10.1039/d5sc02457a","","","0.71073","MoKα","","0.0764","0.0539","","","0.1458","0.1596","","","","","","1.012","","","","has coordinates","301526","2025-08-05","21:12:03",""
"1574814","11.9874","0.0005","17.6677","0.0009","10.452","0.0005","90","","105.409","0.002","90","","2134.06","0.17","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N2 O -","- C27 H24 N2 O -","- C108 H96 N8 O4 -","4","1","","Guo, Weihan; Zhao, Hua; Wang, Mingda; Si, Leilei; Yang, Kaixin; Xia, Guomin; Wang, Hongming","Intramolecular tension-driven self-recovering mechanochromism in organic microcrystals.","Chemical science","2025","16","29","13345","13351","10.1039/d5sc02457a","","","0.71073","MoKα","","0.079","0.0642","","","0.1658","0.1776","","","","","","1.086","","","","has coordinates","301526","2025-08-05","21:12:05",""
"1574815","11.4592","0.0012","11.52","0.0013","19.198","0.002","85.698","0.005","85.659","0.005","63.308","0.004","2255.4","0.4","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 N2 O3 -","- C27 H24 N2 O3 -","- C108 H96 N8 O12 -","4","2","","Guo, Weihan; Zhao, Hua; Wang, Mingda; Si, Leilei; Yang, Kaixin; Xia, Guomin; Wang, Hongming","Intramolecular tension-driven self-recovering mechanochromism in organic microcrystals.","Chemical science","2025","16","29","13345","13351","10.1039/d5sc02457a","","","0.71073","MoKα","","0.1325","0.083","","","0.2098","0.2335","","","","","","1.067","","","","has coordinates","301526","2025-08-05","21:12:15",""
"1574816","9.418","0.015","10.444","0.017","10.672","0.017","68.47","0.02","74.62","0.02","73.96","0.02","923","3","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H20 N2 O -","- C25 H20 N2 O -","- C50 H40 N4 O2 -","2","1","","Guo, Weihan; Zhao, Hua; Wang, Mingda; Si, Leilei; Yang, Kaixin; Xia, Guomin; Wang, Hongming","Intramolecular tension-driven self-recovering mechanochromism in organic microcrystals.","Chemical science","2025","16","29","13345","13351","10.1039/d5sc02457a","","x-ray","0.71073","MoKα","","0.2611","0.0953","","","0.172","0.2387","","","","","","0.966","","","","has coordinates","301526","2025-08-05","21:12:17",""
"1574817","11.358","0.0002","12.5546","0.0002","14.4385","0.0003","104.294","0.001","104.552","0.002","97.394","0.001","1890.77","0.06","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H20 N2 O -","- C25 H20 N2 O -","- C100 H80 N8 O4 -","4","2","","Guo, Weihan; Zhao, Hua; Wang, Mingda; Si, Leilei; Yang, Kaixin; Xia, Guomin; Wang, Hongming","Intramolecular tension-driven self-recovering mechanochromism in organic microcrystals.","Chemical science","2025","16","29","13345","13351","10.1039/d5sc02457a","","","0.71073","MoKα","","0.054","0.0419","","","0.1013","0.1076","","","","","","1.073","","","","has coordinates","301526","2025-08-05","21:12:31",""
"1574818","15.068","0.0011","6.3158","0.0005","22.0503","0.0016","90","","100.439","0.003","90","","2063.7","0.3","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C108 H88 N8 O8 -","4","1","","Jiang, Qin; Dong, Jianyang; Lei, Fang; Yu, Dejiang; Li, Ting; Sun, Huaming; Xue, Dong","Strain-release driven spirocyclization of bicyclo[1.1.0]butanes: access to 6,7-diazaspiro[3.4]octanes","Chemical Science","2025","16","26","12189","12195","10.1039/D5SC03141A","","","1.54178","CuKα","","0.0824","0.0574","","","0.154","0.1616","","","","","","1.093","","","","has coordinates","300567","2025-07-06","14:01:45",""
"1574855","23.448","0.012","14.472","0.006","14.747","0.008","90","","93.73","0.02","90","","4994","4","272","2","272","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H48 N2 O2 -","- C64 H48 N2 O2 -","- C256 H192 N8 O8 -","4","1","","Chen, Zhao; Zou, Yijie; Yin, Ya; Deng, Diandian; Yang, Yue; Fan, Congbin; Pu, Shouzhi; Liu, Gang","Molecular engineering of bis(triphenylamine)-modified fluorene luminophore for immensely enriching anisotropic force-triggered high-contrast tricolor fluorescent molecular switches library.","Chemical science","2025","16","27","12293","12302","10.1039/d5sc02314a","","","0.71073","MoKα","","0.096","0.0577","","","0.15","0.17","","","","","","1.024","","","","has coordinates","301544","2025-08-05","21:17:35",""
"1574856","23.7964","0.0007","14.8763","0.0003","14.0068","0.0004","90","","93.979","0.001","90","","4946.5","0.2","272","2","272","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C62 H42 N4 O4 -","- C62 H42 N4 O4 -","- C248 H168 N16 O16 -","4","1","","Chen, Zhao; Zou, Yijie; Yin, Ya; Deng, Diandian; Yang, Yue; Fan, Congbin; Pu, Shouzhi; Liu, Gang","Molecular engineering of bis(triphenylamine)-modified fluorene luminophore for immensely enriching anisotropic force-triggered high-contrast tricolor fluorescent molecular switches library.","Chemical science","2025","16","27","12293","12302","10.1039/d5sc02314a","","","0.71073","MoKα","","0.0936","0.0595","","","0.1705","0.1909","","","","","","1.092","","","","has coordinates","301544","2025-08-05","21:17:36",""
"1574857","7.2281","0.0003","17.0092","0.0008","16.9709","0.0007","90","","96.963","0.002","90","","2071.09","0.16","120","2","120","2","","","","","","","crystallized by the authors","6","P 1 21/c 1","-P 2ybc","14","","","","- C23.16 H27.33 Br Cl N O1.08 -","- C21 H23 Br Cl N -","- C84 H92 Br4 Cl4 N4 -","4","1","","Santos Hurtado, Carina; Bastien, Guillaume; Lončarić, Doroteja; Dračínský, Martin; Císařová, Ivana; Masson, Eric; Kaleta, Jiří","Surface inclusion and dynamics of cucurbit[7]uril-based supramolecular complexes.","Chemical science","2025","16","31","14081","14087","10.1039/d5sc03152d","","","0.71073","MoKα","","0.022","0.0212","","","0.0531","0.0535","","","","","","1.072","","","","has coordinates","302504","2025-10-06","07:42:40",""
"1574858","17.1318","0.0006","8.8789","0.0003","12.0049","0.0004","90","","90","","90","","1826.08","0.11","120","2","120","2","","","","","","","crystallized by the authors","4","F d d 2","F 2 -2d","43","","","","- C11 H8 Br N -","- C11 H8 Br N -","- C88 H64 Br8 N8 -","8","0.5","","Santos Hurtado, Carina; Bastien, Guillaume; Lončarić, Doroteja; Dračínský, Martin; Císařová, Ivana; Masson, Eric; Kaleta, Jiří","Surface inclusion and dynamics of cucurbit[7]uril-based supramolecular complexes.","Chemical science","2025","16","31","14081","14087","10.1039/d5sc03152d","","","0.71073","MoKα","","0.0145","0.0134","","","0.0338","0.0341","","","","","","1.101","","","","has coordinates","302504","2025-10-06","07:42:42",""
"1574859","14.3576","0.0005","42.1432","0.0015","9.9596","0.0004","90","","114.105","0.001","90","","5500.8","0.4","120","2","120","2","","","","","","","synthesized by the authors","6","C 1 c 1","C -2yc","9","","","","- C17 H13.47 Br Cl N3 O5.24 -","- C17 H13.4727 Br Cl N3 O5.23633 -","- C204 H161.672 Br12 Cl12 N36 O62.836 -","12","3","","Santos Hurtado, Carina; Bastien, Guillaume; Lončarić, Doroteja; Dračínský, Martin; Císařová, Ivana; Masson, Eric; Kaleta, Jiří","Surface inclusion and dynamics of cucurbit[7]uril-based supramolecular complexes.","Chemical science","2025","16","31","14081","14087","10.1039/d5sc03152d","","","0.71073","MoKα","","0.0311","0.0302","","","0.0831","0.0837","","","","","","1.043","","","","has coordinates,has disorder","302504","2025-10-06","07:42:42",""
"1574860","23.988","0.006","12.672","0.003","19.276","0.005","90","","101.714","0.009","90","","5737","2","293.3","","293.3","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[Eu2(Phen)4(CO3)3(H2O)2]n","","- C51 H60 Eu2 N8 O25 -","- C51 H60 Eu2 N8 O25 -","- C204 H240 Eu8 N32 O100 -","4","0.5","","Zhao, Lu; Xu, Zhenjie; Song, Xianzhen; Ding, Caifeng; Ju, Huangxian","Self-supplying coreactant radical and structural distortion induced by carbonate ligand in metal-organic framework for anomalous deep-red Self-electrochemiluminescence.","Chemical science","2025","16","27","12493","12498","10.1039/d5sc02359a","","x-ray","0.71073","MoKα","","0.0408","0.029","","","0.0629","0.0685","","","","","","1.033","","","","has coordinates,has disorder","301539","2025-08-05","21:15:59",""
"1574861","25.4801","0.0015","23.6113","0.0015","20.8659","0.0015","90","","127.581","0.004","90","","9948.4","1.2","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C116.654 H97.264 Ga8 N16.218 Nd2 O61.087 -","- C116.648 H97.264 Ga8 N16.216 Nd2 O61.092 -","- C233.296 H194.528 Ga16 N32.432 Nd4 O122.184 -","2","0.25","","Lathion, Timothée; Bourseguin, Julie; Eliseeva, Svetlana V.; Zeller, Matthias; Petoud, Stéphane; Pecoraro, Vincent L.","Novel lanthanide(iii)/gallium(iii) metallacrowns with appended visible-absorbing organic sensitizers for molecular near-infrared imaging of living cells.","Chemical science","2025","16","27","12623","12634","10.1039/d5sc01320h","","","0.71073","MoKα","","0.0757","0.0636","","","0.1821","0.1958","","","","","","1.032","","","","has coordinates,has disorder","301542","2025-08-05","21:17:07",""
"1574862","11.0048","0.0002","9.98913","0.00019","20.5935","0.0004","90","","99.8007","0.0019","90","","2230.77","0.07","99.99","0.1","99.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C46 H56 O17 -","- C46 H56 O17 -","- C92 H112 O34 -","2","1","","Zhang, Jing-Dong; Jie, Jia-Long; Yan, Shu-Yi; Zhang, Hui; Chen, Jia-Meng; Wu, Jiang-Cheng; Qin, Lu-Yang; Liu, Guang-Jian; Su, Hong-Mei; Xing, Guo-Wen","Single electron/energy transfer photocatalysis: α-/β-switchable synthesis of 3-deoxy-d-manno-oct-2-ulosonic acid <i>O</i>-glycosides.","Chemical science","2025","16","28","13070","13081","10.1039/d5sc02980e","","x-ray","1.54184","CuKα","","0.0548","0.0491","","","0.1348","0.1408","","","","","","1.051","","","","has coordinates","301538","2025-08-05","21:15:27",""
"1574863","10.19414","0.00011","11.29721","0.00014","28.984","0.0003","90","","90","","90","","3337.95","0.06","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 O17 -","- C30 H44 O17 -","- C120 H176 O68 -","4","1","","Zhang, Jing-Dong; Jie, Jia-Long; Yan, Shu-Yi; Zhang, Hui; Chen, Jia-Meng; Wu, Jiang-Cheng; Qin, Lu-Yang; Liu, Guang-Jian; Su, Hong-Mei; Xing, Guo-Wen","Single electron/energy transfer photocatalysis: α-/β-switchable synthesis of 3-deoxy-d-manno-oct-2-ulosonic acid <i>O</i>-glycosides.","Chemical science","2025","16","28","13070","13081","10.1039/d5sc02980e","","x-ray","1.54184","CuKα","","0.0542","0.0521","","","0.1309","0.1328","","","","","","1.059","","","","has coordinates","301538","2025-08-05","21:15:37",""
"1574864","11.3851","0.0008","11.3851","0.0008","64.721","0.007","90","","90","","120","","7265.2","1.1","100","2","100","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C24 H35 F N2 O2 Si -","- C24 H35 F N2 O2 Si -","- C288 H420 F12 N24 O24 Si12 -","12","1","","Chang, Yun-Pu; Blanco-Herrero, Kevin; Alturaifi, Turki M.; Fettinger, James C.; Liu, Peng; Franz, Annaliese K.","Multifunctional chiral silanol ligands for enantioselective catalysis.","Chemical science","2025","16","30","13678","13683","10.1039/d5sc02528a","","","0.71073","MoKα","","0.0404","0.0378","","","0.092","0.0933","","","","","","1.152","","","","has coordinates","301551","2025-08-05","21:20:37",""
"1574865","5.2703","0.0003","13.9801","0.0009","21.4626","0.0014","90","","90","","90","","1581.35","0.17","190","2","190","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 F N2 O -","- C18 H21 F N2 O -","- C72 H84 F4 N8 O4 -","4","1","","Chang, Yun-Pu; Blanco-Herrero, Kevin; Alturaifi, Turki M.; Fettinger, James C.; Liu, Peng; Franz, Annaliese K.","Multifunctional chiral silanol ligands for enantioselective catalysis.","Chemical science","2025","16","30","13678","13683","10.1039/d5sc02528a","","","1.54178","CuKα","","0.0455","0.0443","","","0.1179","0.12","","","","","","1.05","","","","has coordinates","301551","2025-08-05","21:20:37",""
"1574866","11.6012","0.0002","14.6138","0.0003","17.9894","0.0003","90","","90","","90","","3049.88","0.1","190","2","190","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 F N2 -","- C18 H19 F N2 -","- C144 H152 F8 N16 -","8","2","","Chang, Yun-Pu; Blanco-Herrero, Kevin; Alturaifi, Turki M.; Fettinger, James C.; Liu, Peng; Franz, Annaliese K.","Multifunctional chiral silanol ligands for enantioselective catalysis.","Chemical science","2025","16","30","13678","13683","10.1039/d5sc02528a","","","0.71073","MoKα","","0.0358","0.0319","","","0.0772","0.0798","","","","","","1.016","","","","has coordinates,has disorder","301551","2025-08-05","21:20:37",""
"1574867","10.4984","0.0006","23.5281","0.0013","11.1188","0.0006","90","","109.222","0.0012","90","","2593.3","0.2","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H37 F N2 O2 Si -","- C25 H37 F N2 O2 Si -","- C100 H148 F4 N8 O8 Si4 -","4","2","","Chang, Yun-Pu; Blanco-Herrero, Kevin; Alturaifi, Turki M.; Fettinger, James C.; Liu, Peng; Franz, Annaliese K.","Multifunctional chiral silanol ligands for enantioselective catalysis.","Chemical science","2025","16","30","13678","13683","10.1039/d5sc02528a","","","0.71073","MoKα","","0.0397","0.0344","","","0.0829","0.086","","","","","","1.038","","","","has coordinates,has disorder","301551","2025-08-05","21:20:37",""
"1574868","10.6067","0.0019","10.8407","0.0019","10.999","0.002","61.01","0.004","70.064","0.004","89.897","0.005","1019.2","0.3","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C24 H24 F N O2 Si -","- C24 H24 F N O2 Si -","- C48 H48 F2 N2 O4 Si2 -","2","2","","Chang, Yun-Pu; Blanco-Herrero, Kevin; Alturaifi, Turki M.; Fettinger, James C.; Liu, Peng; Franz, Annaliese K.","Multifunctional chiral silanol ligands for enantioselective catalysis.","Chemical science","2025","16","30","13678","13683","10.1039/d5sc02528a","","","0.71073","MoKα","","0.0284","0.028","","","0.0806","0.081","","","","","","1.02","","","","has coordinates","301551","2025-08-05","21:20:37",""
"1574869","12.8653","0.0014","12.9386","0.0014","14.2525","0.0016","76.0784","0.0015","80.3071","0.0016","65.8644","0.0015","2094.9","0.4","90","2","90","2","","","","","","","","8","P 1","P 1","1","","","","- C80 H84 B F26 N4 Na O5 Si2 -","- C80 H84 B F26 N4 Na O5 Si2 -","- C80 H84 B F26 N4 Na O5 Si2 -","1","1","","Chang, Yun-Pu; Blanco-Herrero, Kevin; Alturaifi, Turki M.; Fettinger, James C.; Liu, Peng; Franz, Annaliese K.","Multifunctional chiral silanol ligands for enantioselective catalysis.","Chemical science","2025","16","30","13678","13683","10.1039/d5sc02528a","","","0.71073","MoKα","","0.0702","0.0596","","","0.1549","0.1649","","","","","","1.033","","","","has coordinates,has disorder","301551","2025-08-05","21:20:37",""
"1574870","9.70607","0.0001","14.11052","0.00014","11.3915","0.00012","90","","93.1395","0.0009","90","","1557.81","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H25 B N2 O2 -","- C14 H25 B N2 O2 -","- C56 H100 B4 N8 O8 -","4","1","","Hu, Guanwen; Zhang, Peiqi; Wang, Xinmou; Wan, Chunteng; Fu, Yiyi; Leung, Wa Hung; Lin, Zhenyang; Quan, Yangjian","Nickel-catalyzed diastereoselective hydroboration of acrylates with a vinylborane reagent.","Chemical science","2025","16","29","13449","13458","10.1039/d5sc02695d","","x-ray","1.54184","CuKα","","0.0365","0.0345","","","0.09","0.092","","","","","","1.029","","","","has coordinates","301531","2025-08-05","21:14:06",""
"1574871","12.01864","0.00011","11.91416","0.00009","28.869","0.0002","90","","92.2828","0.0008","90","","4130.53","0.06","99.98","0.1","99.98","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H43.75 B F6 N2 Ni P2 -","- C46 H43.75 B F6 N2 Ni P2 -","- C184 H175 B4 F24 N8 Ni4 P8 -","4","1","","Hu, Guanwen; Zhang, Peiqi; Wang, Xinmou; Wan, Chunteng; Fu, Yiyi; Leung, Wa Hung; Lin, Zhenyang; Quan, Yangjian","Nickel-catalyzed diastereoselective hydroboration of acrylates with a vinylborane reagent.","Chemical science","2025","16","29","13449","13458","10.1039/d5sc02695d","","x-ray","1.54184","CuKα","","0.0411","0.0349","","","0.0903","0.0947","","","","","","1.026","","","","has coordinates,has disorder","301531","2025-08-05","21:14:07",""
"1574872","10.3051","0.0003","13.6933","0.0005","13.8874","0.0003","90","","103.092","0.003","90","","1908.73","0.1","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 B N2 O3 -","- C14.03 H21.239 B N2 O2.403 -","- C56.12 H84.956 B4 N8 O9.612 -","4","1","","Hu, Guanwen; Zhang, Peiqi; Wang, Xinmou; Wan, Chunteng; Fu, Yiyi; Leung, Wa Hung; Lin, Zhenyang; Quan, Yangjian","Nickel-catalyzed diastereoselective hydroboration of acrylates with a vinylborane reagent.","Chemical science","2025","16","29","13449","13458","10.1039/d5sc02695d","","x-ray","1.54184","CuKα","","0.0739","0.0599","","","0.1487","0.1605","","","","","","1.074","","","","has coordinates,has disorder","301531","2025-08-05","21:14:07",""
"1574873","14.471","0.005","8.507","0.003","23.459","0.007","90","","90.215","0.007","90","","2887.9","1.7","273.15","","273.15","","","","","","","","","6","P 1 2 1","P 2y","3","","","","- C58 H52 Br4 Mn2 N8 O10 -","- C58 H52 Br4 Mn2 N8 O10 -","- C116 H104 Br8 Mn4 N16 O20 -","2","1","","Paira, Soumen; Jain, Nupur; Adhikari, Debarsee; Sunoj, Raghavan B.; Sundararaju, Basker","<i>A priori</i> Design of [Mn(i)-Cinchona] catalyst for Asymmetric Hydrogenation of Ketones and β-Keto carbonyl Derivatives.","Chemical science","2025","16","30","13826","13837","10.1039/d5sc02606g","","","0.71073","MoKα","","0.1088","0.0809","","","0.1865","0.2002","","","","","","1.065","","","","has coordinates","301552","2025-08-05","21:20:47",""
"1574874","6.191","0.0003","12.6923","0.0006","18.1436","0.001","90","","90","","90","","1425.69","0.12","273.15","","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","soumen","","- C13 H21 N O3 S -","- C13 H21 N O3 S -","- C52 H84 N4 O12 S4 -","4","1","","Paira, Soumen; Jain, Nupur; Adhikari, Debarsee; Sunoj, Raghavan B.; Sundararaju, Basker","<i>A priori</i> Design of [Mn(i)-Cinchona] catalyst for Asymmetric Hydrogenation of Ketones and β-Keto carbonyl Derivatives.","Chemical science","2025","16","30","13826","13837","10.1039/d5sc02606g","","","0.71073","MoKα","","0.0363","0.0306","","","0.0718","0.0764","","","","","","1.058","","","","has coordinates","301552","2025-08-05","21:20:48",""
"1574875","5.5996","0.0014","8.103","0.002","23.254","0.006","91.263","0.008","91.912","0.007","91.077","0.008","1054.1","0.5","273.15","","273.15","","","","","","","","","3","P 1","P 1","1","","","","- C14 H14 O -","- C14 H14 O -","- C56 H56 O4 -","4","4","","Paira, Soumen; Jain, Nupur; Adhikari, Debarsee; Sunoj, Raghavan B.; Sundararaju, Basker","<i>A priori</i> Design of [Mn(i)-Cinchona] catalyst for Asymmetric Hydrogenation of Ketones and β-Keto carbonyl Derivatives.","Chemical science","2025","16","30","13826","13837","10.1039/d5sc02606g","","","0.71073","MoKα","","0.1669","0.0977","","","0.2414","0.297","","","","","","1.013","","","","has coordinates,has disorder","301552","2025-08-05","21:20:48",""
"1574877","15.8904","0.0003","18.3627","0.0006","20.0324","0.0004","99.057","0.002","96.562","0.002","93.372","0.002","5717","0.2","149.99","0.12","149.99","0.12","","","","","","","","5","P -1","-P 1","2","","","","- C84 H92 N2 O20 S4 -","- C84 H94 N2 O20 S4 -","- C252 H282 N6 O60 S12 -","3","1.5","","Ma, Yao; Li, Dongxu; Chen, Xin; Hua, Xinqiang; Yuan, Cheng-Shan; Wang, Jianguo; Liu, Zitong; Zhang, Hao-Li; Shao, Xiangfeng","Valence state engineering in multi-heteroatom-doped PAHs: a strategy for tunable photophysical properties and phototheranostic potentials.","Chemical science","2025","16","28","13057","13069","10.1039/d5sc02061a","","x-ray","1.54184","CuKα","","0.1209","0.0711","","","0.1859","0.2189","","","","","","1.001","","","","has coordinates","301535","2025-08-05","21:14:47",""
"1574878","9.12078","0.00014","18.7864","0.0003","25.9913","0.0004","90","","92.9385","0.0014","90","","4447.67","0.12","149.99","0.1","149.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H52 F3 N O9 S Se2 -","- C47 H52 F3 N O9 S Se2 -","- C188 H208 F12 N4 O36 S4 Se8 -","4","1","","Ma, Yao; Li, Dongxu; Chen, Xin; Hua, Xinqiang; Yuan, Cheng-Shan; Wang, Jianguo; Liu, Zitong; Zhang, Hao-Li; Shao, Xiangfeng","Valence state engineering in multi-heteroatom-doped PAHs: a strategy for tunable photophysical properties and phototheranostic potentials.","Chemical science","2025","16","28","13057","13069","10.1039/d5sc02061a","","x-ray","1.54184","CuKα","","0.0847","0.0767","","","0.1918","0.1948","","","","","","1.171","","","","has coordinates","301535","2025-08-05","21:14:48",""
"1574879","9.106","0.0001","18.7587","0.0002","25.8895","0.0002","90","","93.085","0.001","90","","4415.95","0.08","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H52 F3 N O9 S3 -","- C47 H52 F3 N O9 S3 -","- C188 H208 F12 N4 O36 S12 -","4","1","","Ma, Yao; Li, Dongxu; Chen, Xin; Hua, Xinqiang; Yuan, Cheng-Shan; Wang, Jianguo; Liu, Zitong; Zhang, Hao-Li; Shao, Xiangfeng","Valence state engineering in multi-heteroatom-doped PAHs: a strategy for tunable photophysical properties and phototheranostic potentials.","Chemical science","2025","16","28","13057","13069","10.1039/d5sc02061a","","x-ray","1.54184","CuKα","","0.0592","0.0502","","","0.1327","0.1386","","","","","","1.017","","","","has coordinates","301535","2025-08-05","21:14:48",""
"1574880","13.90582","0.00011","15.07813","0.00013","15.90307","0.00014","112.371","0.0008","104.294","0.0007","100.202","0.0007","2848.02","0.05","178","2","178","2","","","","","","","","7","P 1","P 1","1","","I-Si","","- C104 H92 N4 O40 P4 Si W12 -","- C104 H92 N4 O40 P4 Si W12 -","- C104 H92 N4 O40 P4 Si W12 -","1","1","","Yonesato, Kentaro; Watanabe, Yota; Pascual-Borràs, Magda; Errington, R. John; Yamaguchi, Kazuya; Suzuki, Kosuke","Synthesis of a Keggin-type polyoxoselenidotungstate <i>via</i> site-selective oxygen-to-selenium substitution.","Chemical science","2025","16","29","13183","13188","10.1039/d5sc03340c","","x-ray","0.71073","MoKα","","0.0419","0.0321","","","0.05","0.0518","","","","","","1.016","","","","has coordinates,has disorder","301534","2025-08-05","21:14:34",""
"1574881","13.76778","0.0001","14.64503","0.0001","17.18784","0.00013","68.0094","0.0007","68.5531","0.0007","89.6202","0.0006","2956.65","0.04","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C100 H86 N2 O28 P4 Se12 Si W12 -","- C100 H86 N2 O28 P4 Se12 Si W12 -","- C100 H86 N2 O28 P4 Se12 Si W12 -","1","1","","Yonesato, Kentaro; Watanabe, Yota; Pascual-Borràs, Magda; Errington, R. John; Yamaguchi, Kazuya; Suzuki, Kosuke","Synthesis of a Keggin-type polyoxoselenidotungstate <i>via</i> site-selective oxygen-to-selenium substitution.","Chemical science","2025","16","29","13183","13188","10.1039/d5sc03340c","","x-ray","0.413","synchrotron","","0.0234","0.0217","","","0.0568","0.0574","","","","","","1.041","","","","has coordinates,has disorder","301534","2025-08-05","21:14:35",""
"1574882","10.8763","0.0004","10.8816","0.0004","11.2207","0.0004","106.765","0.001","113.872","0.001","92.592","0.001","1142.7","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 N4 O12 U -","- C19 H20 N4 O12 U -","- C38 H40 N8 O24 U2 -","2","1","","Park, Kyoung Chul; Lim, Jaewoong; Thaggard, Grace C.; Maldeni Kankanamalage, Buddhima K. P.; Lehman-Andino, Ingrid; Liu, Yuan; Burrell, Jennii M.; Martin, Corey R.; Ta, An T.; Greytak, Andrew B.; Amoroso, Jake W.; DiPrete, David D.; Smith, Mark D.; Phillpot, Simon R.; Shustova, Natalia B.","Stimuli-responsive photoswitch-actinide binding: a match made in MOFs.","Chemical science","2025","16","31","14115","14126","10.1039/d5sc03171k","","x-ray","0.71073","MoKα","","0.0356","0.0332","","","0.0944","0.0952","","","","","","1.313","","","","has coordinates","302513","2025-10-06","07:45:33",""
"1574883","6.8431","0.0003","21.1213","0.0009","26.1977","0.0011","90","","90","","90","","3786.5","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H19 Cl N2 O5 -","- C20 H19 Cl N2 O5 -","- C160 H152 Cl8 N16 O40 -","8","1","","Park, Kyoung Chul; Lim, Jaewoong; Thaggard, Grace C.; Maldeni Kankanamalage, Buddhima K. P.; Lehman-Andino, Ingrid; Liu, Yuan; Burrell, Jennii M.; Martin, Corey R.; Ta, An T.; Greytak, Andrew B.; Amoroso, Jake W.; DiPrete, David D.; Smith, Mark D.; Phillpot, Simon R.; Shustova, Natalia B.","Stimuli-responsive photoswitch-actinide binding: a match made in MOFs.","Chemical science","2025","16","31","14115","14126","10.1039/d5sc03171k","","x-ray","0.71073","MoKα","","0.071","0.0532","","","0.106","0.1131","","","","","","1.095","","","","has coordinates","302513","2025-10-06","07:45:34",""
"1574884","9.6531","0.0005","14.4417","0.0006","9.9636","0.0005","90","","90","","90","","1389","0.12","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C68 H64 N8 O4 -","4","1","","Chen, Tian; Wang, Hao-Yang; Xu, Ronghua; Xu, Guangqing; Yang, He; Sun, Jiangtao; Chung, Lung Wa; Tang, Wenjun","Asymmetric intramolecular reductive coupling of bisimines templated by chiral diborons.","Chemical science","2025","16","29","13298","13305","10.1039/d5sc03633j","","","0.71073","MoKα","","0.07","0.0577","","","0.1479","0.1608","","","","","","1.025","","","","has coordinates","301528","2025-08-05","21:12:54",""
"1574885","4.9546","0.0001","15.547","0.0004","19.2131","0.0005","90","","90","","90","","1479.97","0.06","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","1","","Chen, Tian; Wang, Hao-Yang; Xu, Ronghua; Xu, Guangqing; Yang, He; Sun, Jiangtao; Chung, Lung Wa; Tang, Wenjun","Asymmetric intramolecular reductive coupling of bisimines templated by chiral diborons.","Chemical science","2025","16","29","13298","13305","10.1039/d5sc03633j","","","1.54178","CuKα","","0.0326","0.0298","","","0.0802","0.081","","","","","","1.017","","","","has coordinates","301528","2025-08-05","21:12:54",""
"1574886","5.1594","0.0004","15.095","0.0011","18.2386","0.0013","90","","90","","90","","1420.44","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Br N2 O -","- C17 H15 Br N2 O -","- C68 H60 Br4 N8 O4 -","4","1","","Chen, Tian; Wang, Hao-Yang; Xu, Ronghua; Xu, Guangqing; Yang, He; Sun, Jiangtao; Chung, Lung Wa; Tang, Wenjun","Asymmetric intramolecular reductive coupling of bisimines templated by chiral diborons.","Chemical science","2025","16","29","13298","13305","10.1039/d5sc03633j","","","1.54184","CuKα","","0.0539","0.0409","","","0.1025","0.1215","","","","","","1.084","","","","has coordinates","301528","2025-08-05","21:12:54",""
"1574887","3.8447","0.0002","12.8869","0.0008","30.8271","0.0016","90","","92.189","0.002","90","","1526.25","0.15","110","","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 N3 O2 -","- C21 H13 N3 O2 -","- C84 H52 N12 O8 -","4","1","","Lal, Anu; Sureshan, Kana M.","Isomer-dependent reactivity in the solid state: topochemical [4 + 4] <i>vs.</i> [4 + 2] cycloaddition reactions.","Chemical science","2025","16","29","13496","13502","10.1039/d5sc02327k","","","0.71073","MoKα","","0.0452","0.0385","","","0.1054","0.1115","","","","","","1.039","","","","has coordinates","301532","2025-08-05","21:14:15",""
"1574888","8.2554","0.0016","9.4866","0.0017","10.2722","0.0019","81.063","0.007","86.002","0.007","73.425","0.007","761.4","0.2","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H13 N3 O2 -","- C21 H13 N3 O2 -","- C42 H26 N6 O4 -","2","1","","Lal, Anu; Sureshan, Kana M.","Isomer-dependent reactivity in the solid state: topochemical [4 + 4] <i>vs.</i> [4 + 2] cycloaddition reactions.","Chemical science","2025","16","29","13496","13502","10.1039/d5sc02327k","","","0.71073","MoKα","","0.0971","0.0499","","","0.127","0.1589","","","","","","0.893","","","","has coordinates","301532","2025-08-05","21:14:15",""
"1574889","22.914","0.016","23.096","0.014","25.886","0.018","90","","90","","90","","13699","16","150","","150","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C136 H120 Cl12 F12 K2 O16 P2 -","- C136 H120 Cl12 F12 K2 O16 P2 -","- C544 H480 Cl48 F48 K8 O64 P8 -","4","1","","Hu, Yaning; Li, Tong; Su, Taotao; Shi, Wudi; Yu, Yabing; Li, Beibei; Li, Meng-Hua; Zhang, Sheng; Xu, Yuan-Qing; Liu, Qi; Wu, Di; Xu, Youzhi","Crown ether-cycloparaphenylene hybrid multimacrocycles: insights into supramolecular gas sensing and biological potential.","Chemical science","2025","16","28","13115","13121","10.1039/d5sc03476k","","x-ray","1.54184","CuKα","","0.0964","0.0755","","","0.2048","0.2215","","","","","","1.031","","","","has coordinates","301536","2025-08-05","21:15:03",""
"1574890","21.9739","0.0014","21.8794","0.0013","27.0805","0.0016","90","","106.434","0.003","90","","12487.7","1.3","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C80 H73.5 O8 -","- C80 H73.5 O8 -","- C640 H588 O64 -","8","2","","Hu, Yaning; Li, Tong; Su, Taotao; Shi, Wudi; Yu, Yabing; Li, Beibei; Li, Meng-Hua; Zhang, Sheng; Xu, Yuan-Qing; Liu, Qi; Wu, Di; Xu, Youzhi","Crown ether-cycloparaphenylene hybrid multimacrocycles: insights into supramolecular gas sensing and biological potential.","Chemical science","2025","16","28","13115","13121","10.1039/d5sc03476k","","x-ray","1.54184","CuKα","","0.1527","0.114","","","0.3217","0.3659","","","","","","1.256","","","","has coordinates,has disorder","301536","2025-08-05","21:15:04",""
"1574891","10.0108","0.0004","10.7763","0.0004","12.8755","0.0005","65.86","0.002","70.072","0.002","86.083","0.002","1187.54","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C51.2 H38 F8.4 N2 O3.6 P2.8 S3.2 -","- C51.2 H38 F8.4 N2 O3.6 P2.8 S3.2 -","- C51.2 H38 F8.4 N2 O3.6 P2.8 S3.2 -","1","0.5","","Wu, Zixiang; Anderson, Christopher L.; Zhang, Teng-Shuo; Liu, Yi; Fu, Hongbing; Wang, Long","Side-chain ionization enables ultrafast intramolecular singlet fission in the azaquinodimethane skeleton.","Chemical science","2025","16","29","13374","13381","10.1039/d5sc01980j","","","0.7749","synchrotron","","0.0909","0.0653","","","0.1355","0.1507","","","","","","1.069","","","","has coordinates,has disorder","301530","2025-08-05","21:13:40",""
"1574892","21.251","0.0011","13.6392","0.0007","19.481","0.001","90","","101.806","0.003","90","","5527.1","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C59.44 H42 F7.68 N2 O4.32 P2.56 S5.44 -","- C59.44 H42 F7.68 N2 O4.32 P2.56 S5.44 -","- C237.76 H168 F30.72 N8 O17.28 P10.24 S21.76 -","4","0.5","","Wu, Zixiang; Anderson, Christopher L.; Zhang, Teng-Shuo; Liu, Yi; Fu, Hongbing; Wang, Long","Side-chain ionization enables ultrafast intramolecular singlet fission in the azaquinodimethane skeleton.","Chemical science","2025","16","29","13374","13381","10.1039/d5sc01980j","","","0.7749","synchrotron","","0.0545","0.0442","","","0.1065","0.1139","","","","","","1.057","","","","has coordinates,has disorder","301530","2025-08-05","21:13:40",""
"1574893","9.8994","0.0007","10.0636","0.0007","22.7766","0.0017","93.244","0.003","100.968","0.003","95.729","0.003","2209.9","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C4 H4 Br Cl3 F39 O12 S3 Sb Te6 -","- C4 H4 Br Cl3 F39 O12 S3 Sb Te6 -","- C8 H8 Br2 Cl6 F78 O24 S6 Sb2 Te12 -","2","1","","Fischer, Lukas; Lee, Michael H.; Wiesner, Anja; Müller, Carsten; Riedel, Sebastian","On the synthesis and structure of reactive halonium ions.","Chemical science","2025","16","29","13229","13234","10.1039/d5sc03756e","","x-ray","0.71073","MoKα","","0.0364","0.0289","","","0.0549","0.0569","","","","","","1.136","","","","has coordinates","301524","2025-08-05","21:11:12",""
"1574894","13.8891","0.001","13.8891","0.001","13.2594","0.0014","90","","90","","120","","2215.1","0.3","100","2","100","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C4 H9 F30 O6 Sb Te6 -","- C4 H9 F30 O6 Sb Te6 -","- C12 H27 F90 O18 Sb3 Te18 -","3","0.333333","","Fischer, Lukas; Lee, Michael H.; Wiesner, Anja; Müller, Carsten; Riedel, Sebastian","On the synthesis and structure of reactive halonium ions.","Chemical science","2025","16","29","13229","13234","10.1039/d5sc03756e","","x-ray","0.71073","MoKα","","0.0338","0.0278","","","0.0524","0.0556","","","","","","1.078","","","","has coordinates","301524","2025-08-05","21:11:13",""
"1574895","9.9568","0.0007","10.0522","0.0006","10.7376","0.0008","92.26","0.003","114.527","0.003","119.573","0.002","808.81","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C4 H6 F34 I O6 Sb Te6 -","- C4 H6 F34 I O6 Sb Te6 -","- C4 H6 F34 I O6 Sb Te6 -","1","0.5","","Fischer, Lukas; Lee, Michael H.; Wiesner, Anja; Müller, Carsten; Riedel, Sebastian","On the synthesis and structure of reactive halonium ions.","Chemical science","2025","16","29","13229","13234","10.1039/d5sc03756e","","x-ray","0.71073","MoKα","","0.0342","0.0316","","","0.0668","0.0685","","","","","","1.085","","","","has coordinates,has disorder","301524","2025-08-05","21:11:13",""
"1574896","9.8884","0.0008","10.0411","0.0008","22.687","0.002","93.5","0.004","100.671","0.003","95.798","0.003","2195","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C4 H4 Cl4 F39 O12 S3 Sb Te6 -","- C4 H4 Cl4 F39 O12 S3 Sb Te6 -","- C8 H8 Cl8 F78 O24 S6 Sb2 Te12 -","2","1","","Fischer, Lukas; Lee, Michael H.; Wiesner, Anja; Müller, Carsten; Riedel, Sebastian","On the synthesis and structure of reactive halonium ions.","Chemical science","2025","16","29","13229","13234","10.1039/d5sc03756e","","x-ray","0.71073","MoKα","","0.0404","0.0368","","","0.0879","0.0899","","","","","","1.187","","","","has coordinates","301524","2025-08-05","21:11:13",""
"1574897","12.2416","0.0001","14.7054","0.0001","22.9539","0.0002","90","","90","","90","","4132.11","0.06","100.02","0.1","100.02","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H23 F2 O2 P -","- C24 H23 F2 O2 P -","- C192 H184 F16 O16 P8 -","8","1","","Kurosawa, Miki B.; Shimoyama, Shuhei; Tanaka, Hiroki; Yamaguchi, Junichiro","Difluoroenol phosphinates as difluoroenolate surrogates: synthesis and applications in defluorination and deoxygenative coupling.","Chemical science","2025","16","29","13390","13400","10.1039/d5sc03915k","","x-ray","1.54184","CuKα","","0.0334","0.0319","","","0.0811","0.0822","","","","","","1.051","","","","has coordinates","301533","2025-08-05","21:14:22",""
"1574914","9.6606","0.0004","15.0395","0.0007","18.49","0.0009","84.896","0.004","89.124","0.004","87.16","0.004","2672.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H16 F8 N2 -","- C35 H16 F8 N2 -","- C140 H64 F32 N8 -","4","2","","Hu, Wenbo; Li, Heng; Yuan, Bingxin","Perfluoroarene-arene interaction cocrystal of perfluorocarbazoles toward IEF-enhanced photocatalysis.","Chemical science","2025","16","30","13794","13806","10.1039/d5sc02837j","","x-ray","1.54184","CuKα","","0.0949","0.0614","","","0.1744","0.2065","","","","","","1.026","","","","has coordinates","301550","2025-08-05","21:20:19",""
"1574915","8.7918","0.0009","9.1879","0.0011","10.5298","0.001","72.342","0.009","70.631","0.009","67.564","0.01","726.3","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H4 F8 N2 -","- C17 H4 F8 N2 -","- C34 H8 F16 N4 -","2","1","","Hu, Wenbo; Li, Heng; Yuan, Bingxin","Perfluoroarene-arene interaction cocrystal of perfluorocarbazoles toward IEF-enhanced photocatalysis.","Chemical science","2025","16","30","13794","13806","10.1039/d5sc02837j","","x-ray","1.54184","CuKα","","0.0632","0.0479","","","0.1336","0.1522","","","","","","1.054","","","","has coordinates","301550","2025-08-05","21:20:20",""
"1574916","9.9143","0.001","10.2042","0.001","11.3792","0.0012","80.453","0.008","70.664","0.01","87.322","0.008","1071.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H10 F8 N2 -","- C27 H10 F8 N2 -","- C54 H20 F16 N4 -","2","1","","Hu, Wenbo; Li, Heng; Yuan, Bingxin","Perfluoroarene-arene interaction cocrystal of perfluorocarbazoles toward IEF-enhanced photocatalysis.","Chemical science","2025","16","30","13794","13806","10.1039/d5sc02837j","","x-ray","1.54184","CuKα","","0.084","0.0562","","","0.1577","0.189","","","","","","1.024","","","","has coordinates,has disorder","301550","2025-08-05","21:20:20",""
"1574917","15.6247","0.001","13.0336","0.0006","8.6155","0.0006","90","","115.441","0.008","90","","1584.4","0.2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 F13 N -","- C18 F13 N -","- C72 F52 N4 -","4","0.5","","Hu, Wenbo; Li, Heng; Yuan, Bingxin","Perfluoroarene-arene interaction cocrystal of perfluorocarbazoles toward IEF-enhanced photocatalysis.","Chemical science","2025","16","30","13794","13806","10.1039/d5sc02837j","","x-ray","1.54184","CuKα","","0.0549","0.0429","","","0.1174","0.1337","","","","","","1.039","","","","has coordinates","301550","2025-08-05","21:20:20",""
"1574918","18.4815","0.0007","11.2751","0.0004","21.751","0.0009","90","","90","","90","","4532.5","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H13 F8 N O -","- C29 H13 F8 N O -","- C232 H104 F64 N8 O8 -","8","1","","Hu, Wenbo; Li, Heng; Yuan, Bingxin","Perfluoroarene-arene interaction cocrystal of perfluorocarbazoles toward IEF-enhanced photocatalysis.","Chemical science","2025","16","30","13794","13806","10.1039/d5sc02837j","","x-ray","1.54184","CuKα","","0.0639","0.0463","","","0.1276","0.1432","","","","","","1.028","","","","has coordinates","301550","2025-08-05","21:20:20",""
"1574919","8.5802","0.0005","9.2837","0.0003","18.2358","0.0003","97.408","0.002","98.221","0.003","105.005","0.004","1367.56","0.1","293","4","293","4","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Cl5 In N2 -","- C26 H24 Cl5 In N2 -","- C52 H48 Cl10 In2 N4 -","2","1","","Chen, Chudong; Li, Ziquan; Xiao, Yonghong; Ye, Chenghao; Wei, Jianwu; Zeng, Ruosheng; Pang, Qi; Luo, Binbin","Photosalient effect and reversible photochromic photoluminescence driven by cascade [2 + 2] cycloaddition reaction and water adsorption in a 0D hybrid metal halide.","Chemical science","2025","16","30","13731","13740","10.1039/d5sc03344f","","x-ray","1.54184","CuKα","","0.0367","0.0325","","","0.0861","0.0882","","","","","","1.082","","","","has coordinates,has disorder","301553","2025-08-05","21:20:57",""
"1574920","10.8192","0.0004","11.7903","0.0005","11.9138","0.0005","99.72","0.004","92.935","0.003","98.493","0.003","1476.98","0.11","199.99","0.1","199.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 Cl5 In N2 O -","- C26 H26 Cl5 In N2 O -","- C52 H52 Cl10 In2 N4 O2 -","2","1","","Chen, Chudong; Li, Ziquan; Xiao, Yonghong; Ye, Chenghao; Wei, Jianwu; Zeng, Ruosheng; Pang, Qi; Luo, Binbin","Photosalient effect and reversible photochromic photoluminescence driven by cascade [2 + 2] cycloaddition reaction and water adsorption in a 0D hybrid metal halide.","Chemical science","2025","16","30","13731","13740","10.1039/d5sc03344f","","x-ray","1.54184","CuKα","","0.0894","0.0801","","","0.2314","0.242","","","","","","1.03","","","","has coordinates,has disorder","301553","2025-08-05","21:20:58",""
"1574921","10.8121","0.0003","15.0764","0.0005","18.006","0.0004","90.349","0.002","91.409","0.002","95.489","0.002","2920.67","0.14","200","0.1","200","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C52 H50 Cl10 In2 N4 O -","- C52 H50 Cl10 In2 N4 O -","- C104 H100 Cl20 In4 N8 O2 -","2","1","","Chen, Chudong; Li, Ziquan; Xiao, Yonghong; Ye, Chenghao; Wei, Jianwu; Zeng, Ruosheng; Pang, Qi; Luo, Binbin","Photosalient effect and reversible photochromic photoluminescence driven by cascade [2 + 2] cycloaddition reaction and water adsorption in a 0D hybrid metal halide.","Chemical science","2025","16","30","13731","13740","10.1039/d5sc03344f","","x-ray","1.54184","CuKα","","0.102","0.0641","","","0.1612","0.1738","","","","","","1.059","","","","has coordinates,has disorder","301553","2025-08-05","21:20:58",""
"1574937","17.9573","0.0003","14.299","0.0002","14.6854","0.0002","90","","90","","90","","3770.79","0.1","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C38 H33 Mn2 N10 O5 Re -","- C38 H33 Mn2 N10 O5 Re -","- C152 H132 Mn8 N40 O20 Re4 -","4","1","","Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer.","Chemical science","2025","16","29","13413","13421","10.1039/d4sc08700c","","","0.4139","synchrotron","","0.0457","0.0413","","","0.1174","0.1216","","","","","","1.083","","","","has coordinates","301529","2025-08-05","21:13:27",""
"1574938","14.4061","0.0003","14.4061","0.0003","18.3403","0.0008","90","","90","","90","","3806.3","0.2","300","","300","","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C38 H28 Mn2 N10 O4 Re -","- C38 H28 Mn2 N10 O4 Re -","- C152 H112 Mn8 N40 O16 Re4 -","4","0.25","","Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer.","Chemical science","2025","16","29","13413","13421","10.1039/d4sc08700c","","","0.71073","MoKα","","0.0721","0.0572","","","0.1098","0.1135","","","","","","1.359","","","","has coordinates","301529","2025-08-05","21:13:29",""
"1574939","14.4843","0.0004","14.4843","0.0004","18.3887","0.0009","90","","90","","90","","3857.9","0.2","420","","420","","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C38 H28 Mn2 N10 O4 Re -","- C38 H28 Mn2 N10 O4 Re -","- C152 H112 Mn8 N40 O16 Re4 -","4","0.25","","Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer.","Chemical science","2025","16","29","13413","13421","10.1039/d4sc08700c","","","0.71073","MoKα","","0.0663","0.0439","","","0.1035","0.1132","","","","","","1.126","","","","has coordinates","301529","2025-08-05","21:13:29",""
"1574940","14.3742","0.0003","14.3742","0.0003","18.1157","0.0006","90","","90","","90","","3743.02","0.17","170","","170","","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C38 H28 Mn2 N10 O4 Re -","- C38 H28 Mn2 N10 O4 Re -","- C152 H112 Mn8 N40 O16 Re4 -","4","0.5","","Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer.","Chemical science","2025","16","29","13413","13421","10.1039/d4sc08700c","","","0.71073","MoKα","","0.0626","0.0574","","","0.1446","0.1469","","","","","","1.138","","","","has coordinates,has disorder","301529","2025-08-05","21:13:29",""
"1574941","14.4601","0.0004","14.4601","0.0004","18.3914","0.0009","90","","90","","90","","3845.5","0.2","400","","400","","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C38 H28 Mn2 N10 O4 Re -","- C38 H28 Mn2 N10 O4 Re -","- C152 H112 Mn8 N40 O16 Re4 -","4","0.25","","Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer.","Chemical science","2025","16","29","13413","13421","10.1039/d4sc08700c","","","0.71073","MoKα","","0.0672","0.0405","","","0.0878","0.0972","","","","","","1.113","","","","has coordinates","301529","2025-08-05","21:13:29",""
"1574942","14.4217","0.0004","14.4217","0.0004","18.3812","0.0009","90","","90","","90","","3823","0.2","330","","330","","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C38 H28 Mn2 N10 O4 Re -","- C38 H28 Mn2 N10 O4 Re -","- C152 H112 Mn8 N40 O16 Re4 -","4","0.25","","Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer.","Chemical science","2025","16","29","13413","13421","10.1039/d4sc08700c","","","0.71073","MoKα","","0.0594","0.0392","","","0.084","0.0904","","","","","","1.146","","","","has coordinates","301529","2025-08-05","21:13:29",""
"1574943","14.3719","0.0003","14.3719","0.0003","18.0827","0.0006","90","","90","","90","","3735.01","0.17","150","","150","","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C38 H26 Mn2 N10 O4 Re -","- C38 H26 Mn2 N10 O4 Re -","- C152 H104 Mn8 N40 O16 Re4 -","4","0.5","","Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer.","Chemical science","2025","16","29","13413","13421","10.1039/d4sc08700c","","","0.71073","MoKα","","0.0639","0.059","","","0.1482","0.1506","","","","","","1.131","","","","has coordinates,has disorder","301529","2025-08-05","21:13:29",""
"1574944","14.428","0.0003","14.428","0.0003","18.3832","0.0009","90","","90","","90","","3826.8","0.2","350","","350","","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C38 H28 Mn2 N10 O4 Re -","- C38 H28 Mn2 N10 O4 Re -","- C152 H112 Mn8 N40 O16 Re4 -","4","0.25","","Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer.","Chemical science","2025","16","29","13413","13421","10.1039/d4sc08700c","","","0.71073","MoKα","","0.0598","0.038","","","0.0843","0.0916","","","","","","1.112","","","","has coordinates","301529","2025-08-05","21:13:29",""
"1574945","14.3963","0.0003","14.3963","0.0003","18.2533","0.0007","90","","90","","90","","3783.06","0.18","250","","250","","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C38 H28 Mn2 N10 O4 Re -","- C38 H28 Mn2 N10 O4 Re -","- C152 H112 Mn8 N40 O16 Re4 -","4","0.5","","Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer.","Chemical science","2025","16","29","13413","13421","10.1039/d4sc08700c","","","0.71073","MoKα","","0.0546","0.045","","","0.1069","0.1106","","","","","","1.178","","","","has coordinates,has disorder","301529","2025-08-05","21:13:29",""
"1574946","14.3992","0.0003","14.3992","0.0003","18.2847","0.0007","90","","90","","90","","3791.09","0.18","270","","270","","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C38 H26 Mn2 N10 O4 Re -","- C38 H26 Mn2 N10 O4 Re -","- C152 H104 Mn8 N40 O16 Re4 -","4","0.5","","Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer.","Chemical science","2025","16","29","13413","13421","10.1039/d4sc08700c","","","0.71073","MoKα","","0.0538","0.0422","","","0.0967","0.1008","","","","","","1.183","","","","has coordinates,has disorder","301529","2025-08-05","21:13:29",""
"1574947","14.3878","0.0003","14.3878","0.0003","18.169","0.0006","90","","90","","90","","3761.14","0.17","200","","200","","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C38 H28 Mn2 N10 O4 Re -","- C38 H28 Mn2 N10 O4 Re -","- C152 H112 Mn8 N40 O16 Re4 -","4","0.5","","Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo","A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer.","Chemical science","2025","16","29","13413","13421","10.1039/d4sc08700c","","","0.71073","MoKα","","0.0606","0.054","","","0.1406","0.1439","","","","","","1.124","","","","has coordinates,has disorder","301529","2025-08-05","21:13:29",""
"1574948","8.718","0.0004","18.4723","0.0008","16.8326","0.0006","90","","91.306","0.002","90","","2710","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 Cl3 F6 N P2 Ru -","- C21 H32 Cl3 F6 N P2 Ru -","- C84 H128 Cl12 F24 N4 P8 Ru4 -","4","1","","Melnikov, Stanislav; Hwang, Donghun; Gabbert, Philip; Park, Bohyun; Lutz, Martin; Baik, Mu-Hyun; Broere, Daniël L J","Ruthenium-mediated nucleophilic aromatic substitution of hydrogen in benzene.","Chemical science","2025","16","29","13422","13434","10.1039/d5sc02090e","","","0.71073","MoKα","","0.0326","0.0238","","","0.0552","0.0568","","","","","","1.096","","","","has coordinates,has disorder","301525","2025-08-05","21:11:46",""
"1574949","17.0703","0.0003","22.3344","0.0005","16.3747","0.0004","90","","98.02","0.001","90","","6181.9","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H48 Cl2 N2 P2 Ru -","- C28 H48 Cl2 N2 P2 Ru -","- C224 H384 Cl16 N16 P16 Ru8 -","8","2","","Melnikov, Stanislav; Hwang, Donghun; Gabbert, Philip; Park, Bohyun; Lutz, Martin; Baik, Mu-Hyun; Broere, Daniël L J","Ruthenium-mediated nucleophilic aromatic substitution of hydrogen in benzene.","Chemical science","2025","16","29","13422","13434","10.1039/d5sc02090e","","","0.71073","MoKα","","0.0317","0.023","","","0.0542","0.0566","","","","","","1.035","","","","has coordinates","301525","2025-08-05","21:11:48",""
"1574950","13.9298","0.0004","16.2626","0.0004","13.8275","0.0004","90","","112.534","0.002","90","","2893.26","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H47 N2 P Ru Si2 -","- C26 H47 N2 P Ru Si2 -","- C104 H188 N8 P4 Ru4 Si8 -","4","1","","Melnikov, Stanislav; Hwang, Donghun; Gabbert, Philip; Park, Bohyun; Lutz, Martin; Baik, Mu-Hyun; Broere, Daniël L J","Ruthenium-mediated nucleophilic aromatic substitution of hydrogen in benzene.","Chemical science","2025","16","29","13422","13434","10.1039/d5sc02090e","","","0.71073","MoKα","","0.0217","0.02","","","0.0507","0.0516","","","","","","1.045","","","","has coordinates","301525","2025-08-05","21:11:48",""
"1574951","15.6389","0.0004","13.6916","0.0005","23.9526","0.0009","90","","90","","90","","5128.8","0.3","153","","153","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C79 H44 N9 O P -","- C79 H44 N9 O P -","- C316 H176 N36 O4 P4 -","4","0.5","","Röthel, Maike B; Franzen, Jonas H.; Leitner, Daniel; Hofer, Thomas S.; Seidl, Michael; Dielmann, Fabian","Phosphonium fullerides: isolable zwitterionic adducts of a phosphine with C<sub>60</sub>.","Chemical science","2025","16","29","13189","13195","10.1039/d5sc00367a","","","0.71073","MoKα","","0.0725","0.0553","","","0.153","0.1673","","","","","","1.034","","","","has coordinates,has disorder","301527","2025-08-05","21:12:44",""
"1574958","10.4696","0.0007","10.7334","0.0007","19.3518","0.0013","91.039","0.002","104.121","0.002","105.729","0.002","2021.7","0.2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H130 Al2 N6 P2 Si2 -","- C75 H130 Al2 N6 P2 Si2 -","- C75 H130 Al2 N6 P2 Si2 -","1","0.5","","Xu, Huihui; León Baeza, José Miguel; Baceiredo, Antoine; Rojas Guerrero, René Segundo; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Aluminacyclopropene-phosphine complex: a carbene-exchange reagent.","Chemical science","2025","16","31","14225","14230","10.1039/d5sc03846d","","","0.71073","MoKα","","0.0877","0.0572","","","0.1532","0.1758","","","","","","1.021","","","","has coordinates,has disorder","302511","2025-10-06","07:44:58",""
"1574959","24.8337","0.0012","10.5705","0.0005","25.3214","0.0012","90","","109.228","0.002","90","","6276.2","0.5","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C62 H99 Al Cl Cu N5 P Si -","- C62 H99 Al Cl Cu N5 P Si -","- C248 H396 Al4 Cl4 Cu4 N20 P4 Si4 -","4","1","","Xu, Huihui; León Baeza, José Miguel; Baceiredo, Antoine; Rojas Guerrero, René Segundo; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Aluminacyclopropene-phosphine complex: a carbene-exchange reagent.","Chemical science","2025","16","31","14225","14230","10.1039/d5sc03846d","","x-ray","0.71073","MoKα","","0.092","0.0606","","","0.1494","0.1714","","","","","","1.046","","","","has coordinates,has disorder","302511","2025-10-06","07:44:58",""
"1574960","13.896","0.0014","17.3957","0.0016","19.5978","0.0017","90","","104.351","0.003","90","","4589.6","0.7","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H79 Al N5 P Si -","- C46 H79 Al N5 P Si -","- C184 H316 Al4 N20 P4 Si4 -","4","1","","Xu, Huihui; León Baeza, José Miguel; Baceiredo, Antoine; Rojas Guerrero, René Segundo; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Aluminacyclopropene-phosphine complex: a carbene-exchange reagent.","Chemical science","2025","16","31","14225","14230","10.1039/d5sc03846d","","","0.71073","MoKα","","0.23","0.1028","","","0.2089","0.2851","","","","","","1.035","","","","has coordinates,has disorder","302511","2025-10-06","07:44:58",""
"1574961","12.659","0.001","17.5105","0.0012","20.6407","0.0015","90","","90.19","0.003","90","","4575.3","0.6","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H79 Al N5 P Si -","- C46 H79 Al N5 P Si -","- C184 H316 Al4 N20 P4 Si4 -","4","1","","Xu, Huihui; León Baeza, José Miguel; Baceiredo, Antoine; Rojas Guerrero, René Segundo; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Aluminacyclopropene-phosphine complex: a carbene-exchange reagent.","Chemical science","2025","16","31","14225","14230","10.1039/d5sc03846d","","","0.71073","MoKα","","0.0799","0.0458","","","0.1026","0.1197","","","","","","1.026","","","","has coordinates","302511","2025-10-06","07:44:58",""
"1574962","12.0584","0.0009","13.9968","0.0009","18.0629","0.0013","90.561","0.002","92.765","0.002","98.516","0.002","3011.1","0.4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H101 Al N5 O P Si -","- C62 H101 Al N5 O P Si -","- C124 H202 Al2 N10 O2 P2 Si2 -","2","1","","Xu, Huihui; León Baeza, José Miguel; Baceiredo, Antoine; Rojas Guerrero, René Segundo; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Aluminacyclopropene-phosphine complex: a carbene-exchange reagent.","Chemical science","2025","16","31","14225","14230","10.1039/d5sc03846d","","x-ray","0.71073","MoKα","","0.1175","0.0661","","","0.1736","0.2024","","","","","","1.047","","","","has coordinates,has disorder","302511","2025-10-06","07:44:58",""
"1574963","15.9863","0.0009","17.6296","0.001","18.6567","0.0011","90","","95.958","0.002","90","","5229.7","0.5","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H87 Al N5 P Si -","- C50 H87 Al N5 P Si -","- C200 H348 Al4 N20 P4 Si4 -","4","1","","Xu, Huihui; León Baeza, José Miguel; Baceiredo, Antoine; Rojas Guerrero, René Segundo; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Aluminacyclopropene-phosphine complex: a carbene-exchange reagent.","Chemical science","2025","16","31","14225","14230","10.1039/d5sc03846d","","","0.71073","MoKα","","0.0922","0.0533","","","0.1247","0.1462","","","","","","1.012","","","","has coordinates","302511","2025-10-06","07:44:58",""
"1574964","12.1189","0.0012","21.9059","0.0016","18.1582","0.0017","90","","100.85","0.004","90","","4734.4","0.7","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H79 Al N5 P Si -","- C46 H79 Al N5 P Si -","- C184 H316 Al4 N20 P4 Si4 -","4","1","","Xu, Huihui; León Baeza, José Miguel; Baceiredo, Antoine; Rojas Guerrero, René Segundo; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi","Aluminacyclopropene-phosphine complex: a carbene-exchange reagent.","Chemical science","2025","16","31","14225","14230","10.1039/d5sc03846d","","","0.71073","MoKα","","0.0505","0.0361","","","0.0916","0.1013","","","","","","1.012","","","","has coordinates","302511","2025-10-06","07:44:58",""
"1574965","16.06","0.003","9.6579","0.0015","22.092","0.004","90","","91.67","0.005","90","","3425.1","1","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H104 Cu2 N6 Se2 Si6 -","- C60 H104 Cu2 N6 Se2 Si6 -","- C120 H208 Cu4 N12 Se4 Si12 -","2","0.5","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0386","0.0285","","","0.0624","0.0671","","","","","","1.068","","","","has coordinates","302489","2025-10-06","07:36:57",""
"1574966","10.836","0.003","11.503","0.003","11.911","0.003","100.995","0.007","101.007","0.008","99.443","0.007","1399.3","0.6","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H86 Cu2 N4 O2 Si2 -","- C56 H86 Cu2 N4 O2 Si2 -","- C56 H86 Cu2 N4 O2 Si2 -","1","0.5","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.1287","0.0868","","","0.2066","0.2342","","","","","","1.03","","","","has coordinates","302489","2025-10-06","07:36:58",""
"1574967","10.839","0.002","18.764","0.004","17.165","0.004","90","","91.861","0.007","90","","3489.2","1.3","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57.5 H94 B2 Cu2 N6 O4 Si6 -","- C54 H90 B2 Cu2 N6 O4 Si6 -","- C108 H180 B4 Cu4 N12 O8 Si12 -","2","0.5","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.2414","0.1016","","","0.1711","0.2244","","","","","","0.997","","","","has coordinates,has disorder","302489","2025-10-06","07:36:58",""
"1574968","10.4355","0.001","27.531","0.003","13.1929","0.0011","90","","103.102","0.002","90","","3691.6","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H102 Ag2 N6 P2 Si6 -","- C66 H102 Ag2 N6 P2 Si6 -","- C132 H204 Ag4 N12 P4 Si12 -","2","0.5","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0676","0.0616","","","0.1714","0.1752","","","","","","1.452","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574969","9.8038","0.0008","25.541","0.0017","14.7234","0.0011","90","","98.888","0.002","90","","3642.5","0.5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H104 Ag2 N6 Se2 Si6 -","- C60 H104 Ag2 N6 Se2 Si6 -","- C120 H208 Ag4 N12 Se4 Si12 -","2","0.5","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.1493","0.063","","","0.1182","0.1451","","","","","","1.043","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574970","10.0668","0.0017","12.265","0.002","19.889","0.004","78.55","0.005","77.056","0.005","65.83","0.004","2167.7","0.7","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H63 Ag2 N3 Si3 -","- C39 H63 Ag2 N3 Si3 -","- C78 H126 Ag4 N6 Si6 -","2","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0457","0.0329","","","0.0738","0.0847","","","","","","1.152","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574971","8.7311","0.0017","16.101","0.003","24.398","0.004","90","","96.891","0.006","90","","3405.1","1.1","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H52 Cu N3 Si3 -","- C30 H52 Cu N3 Si3 -","- C120 H208 Cu4 N12 Si12 -","4","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0623","0.0424","","","0.0811","0.0885","","","","","","1.056","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574972","23.369","0.004","11.3535","0.0019","4.5612","0.0007","90","","90","","90","","1210.2","0.3","150","","150","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C15 H15 B O2 -","- C15 H15 B O2 -","- C60 H60 B4 O8 -","4","0.5","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.056","0.0439","","","0.0975","0.1028","","","","","","1.101","","","","has coordinates,has disorder","302489","2025-10-06","07:36:59",""
"1574973","21.7756","0.001","9.2187","0.0005","22.1281","0.0012","90","","102.979","0.002","90","","4328.6","0.4","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 Cu N3 Si3 -","- C40 H64 Cu N3 Si3 -","- C160 H256 Cu4 N12 Si12 -","4","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0887","0.0537","","","0.1138","0.1332","","","","","","1.15","","","","has coordinates,has disorder","302489","2025-10-06","07:36:59",""
"1574974","17.1666","0.0019","13.51","0.0015","22.268","0.003","90","","102.071","0.003","90","","5050.2","1","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C46 H76 Cu N5 Si3 -","- C46 H76 Cu N5 Si3 -","- C184 H304 Cu4 N20 Si12 -","4","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0598","0.0408","","","0.0846","0.0917","","","","","","1.03","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574975","9.4686","0.0017","21.957","0.005","19.381","0.004","90","","99.17","0.005","90","","3977.9","1.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H60 Cu N3 Si2 -","- C39 H60 Cu N3 Si2 -","- C156 H240 Cu4 N12 Si8 -","4","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.1151","0.0607","","","0.0948","0.111","","","","","","1.061","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574976","10.4856","0.0016","26.848","0.005","13.129","0.002","90","","102.797","0.005","90","","3604.2","1","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H51 Cu N3 P Si3 -","- C33 H51 Cu N3 P Si3 -","- C132 H204 Cu4 N12 P4 Si12 -","4","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0611","0.0483","","","0.113","0.1213","","","","","","1.178","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574977","12.089","0.007","12.897","0.008","13.78","0.008","85.671","0.014","71.467","0.015","66.64","0.015","1866.9","1.9","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H58 Cu N3 Si3 -","- C33 H58 Cu N3 Si3 -","- C66 H116 Cu2 N6 Si6 -","2","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.1225","0.0564","","","0.1163","0.1515","","","","","","0.983","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574978","25.182","0.008","13.756","0.004","20.876","0.007","90","","90","","90","","7232","4","150","","150","","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C65 H100 Cu2 N6 Si6 -","- C65 H100 Cu2 N6 Si6 -","- C260 H400 Cu8 N24 Si24 -","4","0.5","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0418","0.0379","","","0.0995","0.1046","","","","","","1.046","","","","has coordinates,has disorder","302489","2025-10-06","07:36:59",""
"1574979","15.1058","0.0011","13.7633","0.0008","19.4686","0.0015","90","","106.283","0.002","90","","3885.3","0.5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H41 Ag F10 N4 Si3 -","- C33 H41 Ag F10 N4 Si3 -","- C132 H164 Ag4 F40 N16 Si12 -","4","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0888","0.0454","","","0.0942","0.112","","","","","","1.019","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574980","10.07","0.004","39.582","0.015","16.882","0.006","90","","102.573","0.007","90","","6568","4","273","2","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C127 H196 N12 Si8 -","- C127 H196 N12 Si8 -","- C254 H392 N24 Si16 -","2","0.5","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0773","0.0608","","","0.1349","0.1438","","","","","","1.127","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574981","10.1287","0.0009","13.8838","0.0014","17.7827","0.0018","90","","94.649","0.003","90","","2492.5","0.4","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H68 Cl2 Cu2 N4 Si2 -","- C48 H68 Cl2 Cu2 N4 Si2 -","- C96 H136 Cl4 Cu4 N8 Si4 -","2","0.5","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0746","0.0572","","","0.1545","0.1691","","","","","","1.041","","","","has coordinates,has disorder","302489","2025-10-06","07:36:59",""
"1574982","12.0478","0.0007","13.1539","0.0008","13.8184","0.0009","86.515","0.002","71.449","0.002","67.362","0.002","1911.4","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H58 Ag N3 Si3 -","- C33 H58 Ag N3 Si3 -","- C66 H116 Ag2 N6 Si6 -","2","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0378","0.0335","","","0.086","0.0932","","","","","","1.156","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574983","9.365","0.005","20.278","0.011","21.736","0.012","90","","97.745","0.007","90","","4090","4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H64 Ag N3 Si3 -","- C36 H64 Ag N3 Si3 -","- C144 H256 Ag4 N12 Si12 -","4","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0547","0.039","","","0.0834","0.0899","","","","","","1.066","","","","has coordinates,has disorder","302489","2025-10-06","07:36:59",""
"1574984","17.82","0.003","11.6656","0.0017","31.588","0.005","90","","97.787","0.004","90","","6506","1.8","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H36 Cu N3 Se Si3 -","- C31 H36 Cu N3 Se Si3 -","- C248 H288 Cu8 N24 Se8 Si24 -","8","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.172","0.103","","","0.2301","0.2767","","","","","","1.03","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574985","11.5755","0.0012","14.9774","0.0016","22.191","0.002","90","","90.984","0.003","90","","3846.7","0.7","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H56 Cu N5 Si3 -","- C35 H56 Cu N5 Si3 -","- C140 H224 Cu4 N20 Si12 -","4","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0966","0.0584","","","0.1055","0.1177","","","","","","1.067","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574986","12.8772","0.0011","13.0612","0.0011","14.7699","0.0013","70.646","0.003","75.242","0.003","60.717","0.002","2031.3","0.3","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H55 Cu N4 Si3 -","- C34 H55 Cu N4 Si3 -","- C68 H110 Cu2 N8 Si6 -","2","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.0554","0.0376","","","0.0868","0.0945","","","","","","1.025","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574987","14.938","0.003","13.376","0.002","19.384","0.004","90","","105.935","0.005","90","","3724.3","1.2","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H41 Cu F10 N4 Si3 -","- C33 H41 Cu F10 N4 Si3 -","- C132 H164 Cu4 F40 N16 Si12 -","4","1","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.114","0.0606","","","0.0933","0.1091","","","","","","1.043","","","","has coordinates","302489","2025-10-06","07:36:59",""
"1574988","8.9008","0.0019","40.36","0.008","19.289","0.004","90","","101.101","0.005","90","","6800","2","150","","150","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28.5 H49 Cu N4 Si3 -","- C25 H45 Cu N4 Si3 -","- C200 H360 Cu8 N32 Si24 -","8","2","","Ghosh, Moushakhi; Gaurav, Kumar; Panwaria, Prakash; Panday, Rishukumar; Tothadi, Srinu; Khan, Shabana","Driving diverse bond functionalisation with <i>N</i>-heterocyclic silylene-coinage metal-aryl complexes.","Chemical science","2025","16","32","14518","14533","10.1039/d5sc00879d","","","0.71073","MoKα","","0.1529","0.1018","","","0.1835","0.2047","","","","","","1.0676","","","","has coordinates,has disorder","302489","2025-10-06","07:36:59",""
"1574989","8.7713","0.0001","9.3831","0.0001","10.1855","0.0001","84.231","0.001","69.773","0.001","75.245","0.001","760.579","0.015","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H17 B N2 O S Si -","- C14 H17 B N2 O S Si -","- C28 H34 B2 N4 O2 S2 Si2 -","2","1","","Wüst, Leonie; Chorbacher, Johannes; Keim, Timo; Wellnitz, Tim; Spieß, Julian; Wieprecht, Nele; Michel, Maximilian; Helten, Holger; Braunschweig, Holger","Tuning the emission properties of luminescent 1,2,3-diazaborinates.","Chemical science","2025","16","33","15086","15096","10.1039/d5sc03814f","","x-ray","1.54184","CuKα","K-L~2,3~","0.031","0.0304","","","0.0868","0.0872","","","","","","1.089","","","","has coordinates","302496","2025-10-06","07:39:14",""
"1574990","11.1933","0.0002","9.5312","0.0002","13.974","0.0003","90","","101.575","0.002","90","","1460.51","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 B N2 S -","- C17 H13 B N2 S -","- C68 H52 B4 N8 S4 -","4","1","","Wüst, Leonie; Chorbacher, Johannes; Keim, Timo; Wellnitz, Tim; Spieß, Julian; Wieprecht, Nele; Michel, Maximilian; Helten, Holger; Braunschweig, Holger","Tuning the emission properties of luminescent 1,2,3-diazaborinates.","Chemical science","2025","16","33","15086","15096","10.1039/d5sc03814f","","x-ray","1.54184","CuKα","K-L~2,3~","0.0519","0.0479","","","0.1298","0.1324","","","","","","1.053","","","","has coordinates","302496","2025-10-06","07:39:15",""
"1574991","7.8893","0.0002","9.6176","0.0002","41.2385","0.0007","90","","90","","90","","3129.02","0.12","99.98","0.1","99.98","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S,5R)-2-isopropyl-3,6-dimethoxy-5-(4-methoxyphenyl)-2,5-dihydropyrazine","","- C32 H44 N4 O6 -","- C32 H44 N4 O6 -","- C128 H176 N16 O24 -","4","1","","Sowa Prendes, Daniel; Löffler, Julian; Barreto, Ivan Martins; Sankaran, Nagesh; Remm, Henning; Nascimento de Oliveira, Ronaldo; Gessner, Viktoria H.; Gooßen, Lukas J","Diastereoselective arylation of bis-lactim ethers catalyzed by <i>N</i>-coordinating ylide-functionalized phosphine (NYPhos).","Chemical science","2025","16","31","14152","14160","10.1039/d5sc02814k","","x-ray","1.54184","CuKα","","0.0514","0.0482","","","0.1298","0.1322","","","","","","1.0273","","","","has coordinates","302514","2025-10-06","07:45:57",""
"1574992","14.591","0.0001","17.3926","0.0002","18.466","0.0001","102.698","0.001","97.838","0.001","114.743","0.001","4011.6","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H63 N3 P2 -","- C37 H63 N3 P2 -","- C148 H252 N12 P8 -","4","2","","Sowa Prendes, Daniel; Löffler, Julian; Barreto, Ivan Martins; Sankaran, Nagesh; Remm, Henning; Nascimento de Oliveira, Ronaldo; Gessner, Viktoria H.; Gooßen, Lukas J","Diastereoselective arylation of bis-lactim ethers catalyzed by <i>N</i>-coordinating ylide-functionalized phosphine (NYPhos).","Chemical science","2025","16","31","14152","14160","10.1039/d5sc02814k","","x-ray","1.54184","CuKα","","0.0386","0.0347","","","0.0901","0.0923","","","","","","1.051","","","","has coordinates","302514","2025-10-06","07:45:57",""
"1574993","17.505","0.0001","18.2908","0.0002","20.1417","0.0002","66.305","0.001","68.119","0.001","72.629","0.001","5395.23","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H51 N3 P2 -","- C25 H51 N3 P2 -","- C200 H408 N24 P16 -","8","4","","Sowa Prendes, Daniel; Löffler, Julian; Barreto, Ivan Martins; Sankaran, Nagesh; Remm, Henning; Nascimento de Oliveira, Ronaldo; Gessner, Viktoria H.; Gooßen, Lukas J","Diastereoselective arylation of bis-lactim ethers catalyzed by <i>N</i>-coordinating ylide-functionalized phosphine (NYPhos).","Chemical science","2025","16","31","14152","14160","10.1039/d5sc02814k","","x-ray","1.54184","CuKα","","0.0595","0.054","","","0.1498","0.1562","","","","","","1.041","","","","has coordinates","302514","2025-10-06","07:45:57",""
"1574995","22.468","0.005","10.54","0.002","20.861","0.004","90","","91.8","0.03","90","","4937.7","1.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C104 H130 Cu2 O27 -","- C104 H130 Cu2 O27 -","- C208 H260 Cu4 O54 -","2","0.5","","Jia, Xiao-Ran; Gao, Zi-Xuan; Fei, Hai-Ming; Lan, Li-Juan; Yu, Cai-Xia; Qian, Yong; Liu, Lei-Lei","Highly efficient and selective Sr<sup>2+</sup> capture using robust two-dimensional MOF nanosheets decorated with cage-like cavities.","Chemical science","2025","16","31","14231","14241","10.1039/d5sc02612a","","","0.71073","MoKα","","0.0438","0.0354","","","0.0958","0.1014","","","","","","1.043","","","","has coordinates","302515","2025-10-06","07:46:07",""
"1574996","5.6865","0.0002","8.1059","0.0003","10.908","0.0004","98.438","0.002","101.431","0.002","101.186","0.002","474.41","0.03","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C14 H22 Cl2 N2 Ni O4 S2 -","- C14 H22 Cl2 N2 Ni O4 S2 -","- C14 H22 Cl2 N2 Ni O4 S2 -","1","0.5","","Kong, Xianqiang; Chen, Yiyi; Zhang, Shuangquan; Feng, Kun; Chen, Xiaohui; Dong, Lin-Hui; Li, Meng-Hua; Xu, Yuan-Qing; Cao, Zhong-Yan","Electrochemically promoted defluorinative sulfoximination and fluorosulfonylation of non-activated aryl fluorides at room temperature.","Chemical science","2025","16","31","14161","14169","10.1039/d5sc03674g","","x-ray","0.71073","MoKα","","0.0267","0.0237","","","0.056","0.0574","","","","","","1.109","","","","has coordinates","302516","2025-10-06","07:46:15",""
"1574997","14.018","0.003","17.554","0.003","7.8113","0.0015","90","","104.941","0.005","90","","1857.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C84 H80 N8 O20 -","4","1","","Vinod, Kavya; Thomas, Diana; Hariharan, Mahesh","Structural disorder as a key to photoprotection in eumelanin multimers.","Chemical science","2025","16","31","14304","14313","10.1039/d5sc00920k","","","0.71073","MoKα","","0.1613","0.0664","","","0.1446","0.1789","","","","","","1.025","","","","has coordinates","302509","2025-10-06","07:44:12",""
"1574998","9.8734","0.0007","20.7159","0.0008","26.4929","0.0003","90","","96.162","0.003","90","","5387.5","0.4","140","0.1","140","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C115.2 H174.8 N8 O4 U2 -","- C90 H146 N8 O4 U2 -","- C180 H292 N16 O8 U4 -","2","0.5","","Shivaraam, R. A. Keerthi; Maria, Leonor; Rajeshkumar, Thayalan; Scopelliti, Rosario; Živković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Facile N-C bond cleavage and arene reduction by a transient uranium(ii) complex.","Chemical science","2025","16","31","14242","14251","10.1039/d5sc03694a","","x-ray","1.54184","CuKα","","0.0523","0.0412","","","0.1039","0.1092","","","","","","1.05","","","","has coordinates,has disorder","302508","2025-10-06","07:43:59",""
"1574999","11.2069","0.0003","14.7053","0.0005","18.7776","0.0006","84.7","0.003","80.165","0.002","82.473","0.002","3015.04","0.16","199.99","0.1","199.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C57 H104 N4 O6 Si U -","- C57 H104 N4 O6 Si U -","- C114 H208 N8 O12 Si2 U2 -","2","1","","Shivaraam, R. A. Keerthi; Maria, Leonor; Rajeshkumar, Thayalan; Scopelliti, Rosario; Živković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Facile N-C bond cleavage and arene reduction by a transient uranium(ii) complex.","Chemical science","2025","16","31","14242","14251","10.1039/d5sc03694a","","x-ray","1.54184","CuKα","","0.0576","0.0434","","","0.0977","0.1023","","","","","","0.975","","","","has coordinates,has disorder","302508","2025-10-06","07:44:00",""
"1575000","16.1897","0.0004","15.6587","0.0006","19.7929","0.0008","90","","96.971","0.003","90","","4980.6","0.3","140","0.1","140","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H86 N4 O4 U -","- C42 H70 N4 O2 U -","- C168 H280 N16 O8 U4 -","4","1","","Shivaraam, R. A. Keerthi; Maria, Leonor; Rajeshkumar, Thayalan; Scopelliti, Rosario; Živković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Facile N-C bond cleavage and arene reduction by a transient uranium(ii) complex.","Chemical science","2025","16","31","14242","14251","10.1039/d5sc03694a","","x-ray","1.54184","CuKα","","0.1021","0.0633","","","0.1386","0.1589","","","","","","1.002","","","","has coordinates,has disorder","302508","2025-10-06","07:44:00",""
"1575001","12.587","0.009","20.924","0.014","22.9","0.015","90","","90.935","0.01","90","","6030","7","143","","143","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","C118H138O18(C6H14)2","","","- C130 H166 O18 -","- C130 H166 O18 -","- C260 H332 O36 -","2","0.5","","Ohtani, Shunsuke; Nakagawa, Keigo; Akine, Shigehisa; Kato, Kenichi; Ogoshi, Tomoki","Dimerization of pillar[5]arene: length-adaptive encapsulation of long-chain guests.","Chemical science","2025","16","31","14262","14269","10.1039/d5sc01403d","","","0.71075","MoKα","","0.227","0.12","","","0.231","0.2819","","","","","","1.157","","","","has coordinates,has disorder","302507","2025-10-06","07:43:44",""
"1575002","12.062","0.005","21.595","0.009","23.1024","0.001","95.788","0.007","92.174","0.007","99.902","0.008","5888","3","143.15","","143.15","","","","","","","","","3","P -1","-P 1","2","","","","- C126.89 H168.73 O18 -","- C126.898 H168.735 O18 -","- C253.796 H337.47 O36 -","2","1","","Ohtani, Shunsuke; Nakagawa, Keigo; Akine, Shigehisa; Kato, Kenichi; Ogoshi, Tomoki","Dimerization of pillar[5]arene: length-adaptive encapsulation of long-chain guests.","Chemical science","2025","16","31","14262","14269","10.1039/d5sc01403d","","","0.71075","MoKα","","0.2451","0.1375","","","0.2709","0.339","","","","","","1.125","","","","has coordinates,has disorder","302507","2025-10-06","07:43:45",""
"1575003","10.2331","0.0006","17.097","0.001","12.6421","0.0007","90","","100.465","0.005","90","","2175","0.2","299.99","0.1","299.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Cl2 Mn N4 -","- C24 H16 Cl2 Mn N4 -","- C96 H64 Cl8 Mn4 N16 -","4","1","","Lin, Quan; Lin, Liping; Wang, Jingjing; Yu, Daohong; Chen, Zhengwang; Wang, Zhong-Xia","Manganese-mediated C(sp)-Si cross-electrophile coupling of alkynyl halides with chlorosilanes.","Chemical science","2025","16","31","14216","14224","10.1039/d5sc03449c","","x-ray","1.54184","CuKα","","0.1676","0.1305","","","0.3044","0.3278","","","","","","1.036","","","","has coordinates","302506","2025-10-06","07:43:29",""
"1575004","9.4383","0.0004","15.9847","0.0007","18.7749","0.0008","90","","90","","90","","2832.5","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 Cl N5 O Ru -","- C27 H22 Cl N5 O Ru -","- C108 H88 Cl4 N20 O4 Ru4 -","4","1","","Chen, Guo; Ding, Xiao-Lv; He, Piao; Cheng, Tao; Chen, Yang; Lin, Jian; Zhang, Xi; Zhao, Shan; Qiao, Na; Yi, Xiao-Yi","Understanding the factors governing the ammonia oxidation reaction by a mononuclear ruthenium complex","Chemical Science","2025","16","17","7573","7578","10.1039/D4SC02360A","","x-ray","0.71073","MoKα","","0.0886","0.0541","","","0.1343","0.1502","","","","","","0.922","","","","has coordinates","300325","2025-07-04","15:24:19",""
"1575005","9.4605","0.0005","9.5615","0.0004","9.9418","0.0004","116.535","0.004","108.263","0.005","100.865","0.004","704.62","0.08","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N3 O -","- C17 H15 N3 O -","- C34 H30 N6 O2 -","2","1","","Chen, Guo; Ding, Xiao-Lv; He, Piao; Cheng, Tao; Chen, Yang; Lin, Jian; Zhang, Xi; Zhao, Shan; Qiao, Na; Yi, Xiao-Yi","Understanding the factors governing the ammonia oxidation reaction by a mononuclear ruthenium complex","Chemical Science","2025","16","17","7573","7578","10.1039/D4SC02360A","","x-ray","1.54184","CuKα","","0.077","0.0644","","","0.1808","0.1971","","","","","","1.064","","","","has coordinates","300325","2025-07-04","15:24:20",""
"1575006","11.9831","0.0006","11.9831","0.0006","8.335","0.0004","90","","90","","120","","1036.51","0.09","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","Co MOF","","- C6 H5 Co0.5 N O3 -","- C6 H5 Co0.5 N O3 -","- C36 H30 Co3 N6 O18 -","6","1","","Hussain, Nissar; Mobin, Shaikh M.","Tailored design of an oxygen-rich stable Co-MOF integrated with MXene nanofibers as an advanced heterostructure for high-performance ammonium-ion supercapacitors","Chemical Science","2025","16","19","8460","8469","10.1039/D5SC00171D","","","0.71073","MoKα","","0.0882","0.059","","","0.1274","0.1459","","","","","","1.067","","","","has coordinates","300326","2025-07-04","15:28:53",""
"1575007","26.3081","0.0016","31.481","0.002","32.9947","0.0019","71.067","0.004","86.315","0.004","89.79","0.004","25790","3","173","","173","","","","","","","","","11","P -1","-P 1","2","","","","- C402.5 H396 Au21 Br Cl20 Cu30 F54 N17 P18 S9 Sb9 -","- C402.5 H396 Au21 Br Cl20 Cu30 F54 N17 P18 S9 Sb9 -","- C805 H792 Au42 Br2 Cl40 Cu60 F108 N34 P36 S18 Sb18 -","2","1","","Zhang, Wei; Xu, Tingting; Kong, Jie; Li, Yuanming; Zhou, Xiaoguo; Zhang, Jiachen; Zhang, Qun; Song, Yongbo; Luo, Yi; Zhou, Meng","Intensive near-infrared emitting Au7Cu10 nanoclusters for both energy and electron harvesting","Chemical Science","2025","16","20","8910","8921","10.1039/D5SC00671F","","","1.34139","GaKα","","0.1364","0.0886","","","0.2446","0.2834","","","","","","0.99","","","","has coordinates,has disorder","300327","2025-07-04","15:34:14",""
"1575008","16.014","0.0003","14.2052","0.0002","15.6151","0.0003","90","","106.374","0.002","90","","3408.09","0.11","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C81 H70 B4 Cl2 S4 -","- C81 H70 B4 Cl2 S4 -","- C162 H140 B8 Cl4 S8 -","2","0.5","","Narita, Hiroki; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias; Yamaguchi, Shigehiro","Intramolecular arylsulfide-coordinated diboraanthracenes: effect of B–S coordination on ground-state and excited-state behavior","Chemical Science","2025","16","20","8764","8771","10.1039/D5SC01726B","","","0.71073","MoKα","","0.0441","0.0392","","","0.1064","0.1091","","","","","","1.039","","","","has coordinates,has disorder","300328","2025-07-04","15:35:02",""
"1575009","8.0487","0.0003","11.461","0.0004","13.8943","0.0004","83.718","0.002","78.136","0.003","84.362","0.003","1243","0.07","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H42 B2 Cl2 F6 S2 -","- C63 H42 B2 Cl2 F6 S2 -","- C63 H42 B2 Cl2 F6 S2 -","1","0.5","","Narita, Hiroki; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias; Yamaguchi, Shigehiro","Intramolecular arylsulfide-coordinated diboraanthracenes: effect of B–S coordination on ground-state and excited-state behavior","Chemical Science","2025","16","20","8764","8771","10.1039/D5SC01726B","","","0.71073","MoKα","","0.0626","0.0457","","","0.1121","0.1196","","","","","","1.068","","","","has coordinates,has disorder","300328","2025-07-04","15:35:04",""
"1575010","28.7061","0.0007","28.7061","0.0007","13.725","0.0012","90","","90","","90","","11310","1.1","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C72 H70 B2 S2 -","- C72 H70 B2 S2 -","- C576 H560 B16 S16 -","8","0.5","","Narita, Hiroki; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias; Yamaguchi, Shigehiro","Intramolecular arylsulfide-coordinated diboraanthracenes: effect of B–S coordination on ground-state and excited-state behavior","Chemical Science","2025","16","20","8764","8771","10.1039/D5SC01726B","","","0.71073","MoKα","","0.1174","0.0733","","","0.1935","0.2245","","","","","","1.048","","","","has coordinates,has disorder","300328","2025-07-04","15:35:04",""
"1575011","13.4613","0.0004","15.9611","0.0004","18.0475","0.0005","88.617","0.002","74.222","0.002","75.94","0.002","3616.09","0.18","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 B2 F6 S2 -","- C42 H32 B2 F6 S2 -","- C168 H128 B8 F24 S8 -","4","2","","Narita, Hiroki; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias; Yamaguchi, Shigehiro","Intramolecular arylsulfide-coordinated diboraanthracenes: effect of B–S coordination on ground-state and excited-state behavior","Chemical Science","2025","16","20","8764","8771","10.1039/D5SC01726B","","","0.71073","MoKα","","0.1367","0.0641","","","0.1371","0.1615","","","","","","1.022","","","","has coordinates,has disorder","300328","2025-07-04","15:35:05",""
"1575012","11.443","0.002","11.3282","0.0013","17.464","0.003","90","","102.219","0.004","90","","2212.5","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 O2 P2 -","- C26 H24 O2 P2 -","- C104 H96 O8 P8 -","4","1","","Hoffman, Aleksander; Zychowicz, Mikolaj; Wang, Junhao; Matsuura, Keisuke; Kagawa, Fumitaka; Rzepiela, Jan; Heczko, Michal; Baś, Sebastian; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Chorazy, Szymon","Photoluminescent, dielectric, and magnetic responsivity to the humidity variation in SHG-active pyroelectric manganese(ii)-based molecular material","Chemical Science","2025","16","20","8979","8997","10.1039/D5SC00404G","","x-ray","0.71073","MoKα","","0.0576","0.0453","","","0.0992","0.1041","","","","","","1.102","","","","has coordinates","300329","2025-07-04","15:37:03",""
"1575013","11.2956","0.0008","26.7171","0.0018","25.3047","0.0017","90","","100.865","0.002","90","","7499.7","0.9","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C78 H74 Cl4 Mn2 O7 P6 -","- C78 H74 Cl4 Mn2 O7 P6 -","- C312 H296 Cl16 Mn8 O28 P24 -","4","1","","Hoffman, Aleksander; Zychowicz, Mikolaj; Wang, Junhao; Matsuura, Keisuke; Kagawa, Fumitaka; Rzepiela, Jan; Heczko, Michal; Baś, Sebastian; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Chorazy, Szymon","Photoluminescent, dielectric, and magnetic responsivity to the humidity variation in SHG-active pyroelectric manganese(ii)-based molecular material","Chemical Science","2025","16","20","8979","8997","10.1039/D5SC00404G","","x-ray","0.71073","MoKα","","0.0434","0.0423","","","0.0966","0.0971","","","","","","1.131","","","","has coordinates","300329","2025-07-04","15:37:04",""
"1575014","11.2591","0.0005","26.7307","0.0012","25.1411","0.0011","90","","100.52","0.001","90","","7439.4","0.6","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C78 H74 Cl4 Mn O7 P6 Zn -","- C78 H74 Cl4 Mn O7 P6 Zn -","- C312 H296 Cl16 Mn4 O28 P24 Zn4 -","4","1","","Hoffman, Aleksander; Zychowicz, Mikolaj; Wang, Junhao; Matsuura, Keisuke; Kagawa, Fumitaka; Rzepiela, Jan; Heczko, Michal; Baś, Sebastian; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Chorazy, Szymon","Photoluminescent, dielectric, and magnetic responsivity to the humidity variation in SHG-active pyroelectric manganese(ii)-based molecular material","Chemical Science","2025","16","20","8979","8997","10.1039/D5SC00404G","","x-ray","0.71073","MoKα","","0.0461","0.0428","","","0.086","0.087","","","","","","1.14","","","","has coordinates","300329","2025-07-04","15:37:05",""
"1575015","13.0568","0.0005","19.8458","0.0008","29.0464","0.0012","90","","91.42","0.002","90","","7524.3","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C79 H72 Cl4 Mn2 N2 O6 P6 -","- C79 H72 Cl4 Mn2 N2 O6 P6 -","- C316 H288 Cl16 Mn8 N8 O24 P24 -","4","1","","Hoffman, Aleksander; Zychowicz, Mikolaj; Wang, Junhao; Matsuura, Keisuke; Kagawa, Fumitaka; Rzepiela, Jan; Heczko, Michal; Baś, Sebastian; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Chorazy, Szymon","Photoluminescent, dielectric, and magnetic responsivity to the humidity variation in SHG-active pyroelectric manganese(ii)-based molecular material","Chemical Science","2025","16","20","8979","8997","10.1039/D5SC00404G","","x-ray","0.71073","MoKα","","0.0857","0.068","","","0.146","0.1533","","","","","","1.146","","","","has coordinates","300329","2025-07-04","15:37:05",""
"1575016","26.4176","0.0014","26.4176","0.0014","20.5907","0.0017","90","","90","","120","","12444.8","1.4","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C52 H48 Cl4 O5 P4 Zn2 -","- C52 H48 Cl4 O5 P4 Zn2 -","- C468 H432 Cl36 O45 P36 Zn18 -","9","0.5","","Hoffman, Aleksander; Zychowicz, Mikolaj; Wang, Junhao; Matsuura, Keisuke; Kagawa, Fumitaka; Rzepiela, Jan; Heczko, Michal; Baś, Sebastian; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Chorazy, Szymon","Photoluminescent, dielectric, and magnetic responsivity to the humidity variation in SHG-active pyroelectric manganese(ii)-based molecular material","Chemical Science","2025","16","20","8979","8997","10.1039/D5SC00404G","","x-ray","0.71073","MoKα","","0.0869","0.0757","","","0.1634","0.1681","","","","","","1.22","","","","has coordinates","300329","2025-07-04","15:37:05",""
"1575017","11.4017","0.0007","27.3917","0.0017","25.2074","0.0016","90","","99.877","0.002","90","","7755.9","0.8","330","2","330","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C78 H72 Cl4 Mn2 O6 P6 -","- C78 H72 Cl4 Mn2 O6 P6 -","- C312 H288 Cl16 Mn8 O24 P24 -","4","1","","Hoffman, Aleksander; Zychowicz, Mikolaj; Wang, Junhao; Matsuura, Keisuke; Kagawa, Fumitaka; Rzepiela, Jan; Heczko, Michal; Baś, Sebastian; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Chorazy, Szymon","Photoluminescent, dielectric, and magnetic responsivity to the humidity variation in SHG-active pyroelectric manganese(ii)-based molecular material","Chemical Science","2025","16","20","8979","8997","10.1039/D5SC00404G","","x-ray","0.71073","MoKα","","0.0465","0.0435","","","0.1099","0.1116","","","","","","1.057","","","","has coordinates","300329","2025-07-04","15:37:05",""
"1575018","11.3912","0.0007","27.2867","0.0017","25.2528","0.0016","90","","100.008","0.002","90","","7729.8","0.8","300","2","300","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C78 H72 Cl4 Mn2 O6 P6 -","- C78 H72 Cl4 Mn2 O6 P6 -","- C312 H288 Cl16 Mn8 O24 P24 -","4","1","","Hoffman, Aleksander; Zychowicz, Mikolaj; Wang, Junhao; Matsuura, Keisuke; Kagawa, Fumitaka; Rzepiela, Jan; Heczko, Michal; Baś, Sebastian; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Chorazy, Szymon","Photoluminescent, dielectric, and magnetic responsivity to the humidity variation in SHG-active pyroelectric manganese(ii)-based molecular material","Chemical Science","2025","16","20","8979","8997","10.1039/D5SC00404G","","x-ray","0.71073","MoKα","","0.0464","0.044","","","0.1126","0.1139","","","","","","1.055","","","","has coordinates","300329","2025-07-04","15:37:06",""
"1575019","11.3782","0.0007","27.137","0.0015","25.3156","0.0014","90","","100.19","0.002","90","","7693.4","0.8","270","2","270","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C78 H74 Cl4 Mn2 O7 P6 -","- C78 H74 Cl4 Mn2 O7 P6 -","- C312 H296 Cl16 Mn8 O28 P24 -","4","1","","Hoffman, Aleksander; Zychowicz, Mikolaj; Wang, Junhao; Matsuura, Keisuke; Kagawa, Fumitaka; Rzepiela, Jan; Heczko, Michal; Baś, Sebastian; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Chorazy, Szymon","Photoluminescent, dielectric, and magnetic responsivity to the humidity variation in SHG-active pyroelectric manganese(ii)-based molecular material","Chemical Science","2025","16","20","8979","8997","10.1039/D5SC00404G","","x-ray","0.71073","MoKα","","0.0454","0.0434","","","0.1097","0.1108","","","","","","1.074","","","","has coordinates","300329","2025-07-04","15:37:06",""
"1575020","11.2747","0.0007","26.9136","0.0019","25.1091","0.0017","90","","100.442","0.002","90","","7493","0.9","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C78 H72 Cl4 Mn2 O6 P6 -","- C78 H72 Cl4 Mn2 O6 P6 -","- C312 H288 Cl16 Mn8 O24 P24 -","4","1","","Hoffman, Aleksander; Zychowicz, Mikolaj; Wang, Junhao; Matsuura, Keisuke; Kagawa, Fumitaka; Rzepiela, Jan; Heczko, Michal; Baś, Sebastian; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Chorazy, Szymon","Photoluminescent, dielectric, and magnetic responsivity to the humidity variation in SHG-active pyroelectric manganese(ii)-based molecular material","Chemical Science","2025","16","20","8979","8997","10.1039/D5SC00404G","","x-ray","0.71073","MoKα","","0.039","0.0357","","","0.0882","0.0907","","","","","","1.019","","","","has coordinates","300329","2025-07-04","15:37:06",""
"1575021","7.7941","0.0001","15.0015","0.0002","18.7462","0.0001","95.028","0.001","94.368","0.001","92.216","0.001","2174.82","0.04","100","0.2","100","0.2","","","","","","","","5","P 1","P 1","1","","","","- C27 H20 F N O6 -","- C27 H20 F N O6 -","- C108 H80 F4 N4 O24 -","4","4","","Ren, Panlong; Zhao, Qing; Chi, Yonggui Robin; Zhu, Tingshun","Carbene-catalyzed enantioselective construction of a quasi-symmetrical spirocyclic hydroquinone with a minor chiral distinction","Chemical Science","2025","16","20","8940","8945","10.1039/D5SC01605C","","x-ray","1.54184","CuKα","","0.0506","0.0467","","","0.1301","0.1335","","","","","","1.06","","","","has coordinates","300330","2025-07-04","15:38:12",""
"1575022","13.2767","0.0001","7.8477","0.0001","19.7078","0.0002","90","","109.306","0.001","90","","1937.92","0.04","99.9","0.5","99.9","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H38 Cl2 O10 -","- C48 H38 Cl2 O10 -","- C96 H76 Cl4 O20 -","2","1","","Ren, Panlong; Zhao, Qing; Chi, Yonggui Robin; Zhu, Tingshun","Carbene-catalyzed enantioselective construction of a quasi-symmetrical spirocyclic hydroquinone with a minor chiral distinction","Chemical Science","2025","16","20","8940","8945","10.1039/D5SC01605C","","x-ray","1.54184","CuKα","","0.031","0.0297","","","0.0814","0.0819","","","","","","1.095","","","","has coordinates","300330","2025-07-04","15:38:16",""
"1575023","13.3142","0.0002","7.8396","0.0001","19.8412","0.0003","90","","108.449","0.002","90","","1964.55","0.05","100","0.4","100","0.4","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H38 Br2 O10 -","- C48 H38 Br2 O10 -","- C96 H76 Br4 O20 -","2","1","","Ren, Panlong; Zhao, Qing; Chi, Yonggui Robin; Zhu, Tingshun","Carbene-catalyzed enantioselective construction of a quasi-symmetrical spirocyclic hydroquinone with a minor chiral distinction","Chemical Science","2025","16","20","8940","8945","10.1039/D5SC01605C","","x-ray","1.54184","CuKα","","0.0362","0.0356","","","0.0943","0.0947","","","","","","1.028","","","","has coordinates","300330","2025-07-04","15:38:17",""
"1575024","10.0323","0.0004","14.0039","0.0005","10.9141","0.0004","90","","116.185","0.002","90","","1375.98","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 B N3 O2 S -","- C12 H18 B N3 O2 S -","- C48 H72 B4 N12 O8 S4 -","4","1","","Ankudinov, Nikita M.; Alexeev, Nikita V.; Podyacheva, Evgeniya S.; Chusov, Denis A.; Lyssenko, Konstantin A.; Perekalin, Dmitry S.","Catalytic insertion of nitrenes into B–H bonds","Chemical Science","2025","16","15","6298","6306","10.1039/D5SC00723B","","x-ray","0.71073","MoKα","","0.0513","0.0435","","","0.1141","0.1204","","","","","","1.071","","","","has coordinates","300331","2025-07-04","15:41:19",""
"1575025","7.0532","0.0008","13.9162","0.0015","14.4394","0.0016","80.019","0.004","81.48","0.004","81.506","0.004","1369.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H29 B11 N2 O5 S -","- C22 H29 B11 N2 O5 S -","- C44 H58 B22 N4 O10 S2 -","2","1","","Ankudinov, Nikita M.; Alexeev, Nikita V.; Podyacheva, Evgeniya S.; Chusov, Denis A.; Lyssenko, Konstantin A.; Perekalin, Dmitry S.","Catalytic insertion of nitrenes into B–H bonds","Chemical Science","2025","16","15","6298","6306","10.1039/D5SC00723B","","x-ray","0.71073","MoKα","","0.1006","0.0762","","","0.1809","0.1995","","","","","","0.999","","","","has coordinates","300331","2025-07-04","15:41:20",""
"1575026","7.948","0.002","8.047","0.002","16.16","0.004","92.793","0.009","100.437","0.008","107.826","0.009","961.6","0.4","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C18 H11 B Br F5 N2 O3 S -","- C18 H11 B Br F5 N2 O3 S -","- C36 H22 B2 Br2 F10 N4 O6 S2 -","2","2","","Ankudinov, Nikita M.; Alexeev, Nikita V.; Podyacheva, Evgeniya S.; Chusov, Denis A.; Lyssenko, Konstantin A.; Perekalin, Dmitry S.","Catalytic insertion of nitrenes into B–H bonds","Chemical Science","2025","16","15","6298","6306","10.1039/D5SC00723B","","x-ray","0.71073","MoKα","","0.1492","0.0872","","","0.1628","0.2037","","","","","","1.017","","","","has coordinates,has disorder","300331","2025-07-04","15:41:21",""
"1575027","15.601","0.0013","8.9989","0.0011","15.8836","0.0016","90","","107.422","0.003","90","","2127.6","0.4","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H25 B N4 O4 S2 -","- C19 H25 B N4 O4 S2 -","- C76 H100 B4 N16 O16 S8 -","4","1","","Ankudinov, Nikita M.; Alexeev, Nikita V.; Podyacheva, Evgeniya S.; Chusov, Denis A.; Lyssenko, Konstantin A.; Perekalin, Dmitry S.","Catalytic insertion of nitrenes into B–H bonds","Chemical Science","2025","16","15","6298","6306","10.1039/D5SC00723B","","x-ray","0.71073","MoKα","","0.0854","0.0519","","","0.1095","0.1251","","","","","","1.041","","","","has coordinates","300331","2025-07-04","15:41:21",""
"1575028","15.0095","0.0009","15.3676","0.0009","17.4816","0.001","78.015","0.002","77.183","0.002","81.734","0.002","3825.9","0.4","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C18.86 H18.72 B Cl1.72 N2 O2 S -","- C18.8575 H18.715 B Cl1.715 N2 O2 S -","- C150.86 H149.72 B8 Cl13.72 N16 O16 S8 -","8","4","","Ankudinov, Nikita M.; Alexeev, Nikita V.; Podyacheva, Evgeniya S.; Chusov, Denis A.; Lyssenko, Konstantin A.; Perekalin, Dmitry S.","Catalytic insertion of nitrenes into B–H bonds","Chemical Science","2025","16","15","6298","6306","10.1039/D5SC00723B","","x-ray","0.71073","MoKα","","0.1142","0.0643","","","0.1695","0.2074","","","","","","0.988","","","","has coordinates,has disorder","300331","2025-07-04","15:41:21",""
"1575029","21.67271","0.00016","21.67271","0.00016","10.76754","0.0001","90","","90","","120","","4379.99","0.06","173","","173","","","","","","","","","7","R 3 :H","R 3","146","","(R,Z)-4-((3-(4-cyanophenyl)-4-oxo-6-(trifluoromethyl)-1,3-thiazinan-2-ylidene)amino)benzonitrile chloroform solvate","","- C19.33 H11.33 Cl F3 N4 O S -","- C19.3333 H11.3333 Cl F3 N4 O S -","- C174 H102 Cl9 F27 N36 O9 S9 -","9","1","","Nimmo, Alastair J.; Goodfellow, Alister S.; Guntley, Jacob T.; McKay, Aidan P.; Cordes, David B.; Bühl, Michael; Smith, Andrew D.","Isothiourea catalysed enantioselective generation of point and axially chiral iminothia- and iminoselenazinanones","Chemical Science","2025","16","23","10494","10502","10.1039/D5SC02435H","","x-ray","1.54184","CuKα","","0.0216","0.0215","","","0.056","0.056","","","","","","1.058","","","","has coordinates","300332","2025-07-04","15:45:57",""
"1575030","8.07483","0.00006","15.56758","0.00015","17.59729","0.00015","90","","90","","90","","2212.08","0.03","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(R,Z)-N-(3-(2-isopropylphenyl)-4-oxo-6-(trifluoromethyl)-1,3-thiazinan-2-ylidene)-4-methylbenzenesulfonamide","","- C21 H21 F3 N2 O3 S2 -","- C21 H21 F3 N2 O3 S2 -","- C84 H84 F12 N8 O12 S8 -","4","1","","Nimmo, Alastair J.; Goodfellow, Alister S.; Guntley, Jacob T.; McKay, Aidan P.; Cordes, David B.; Bühl, Michael; Smith, Andrew D.","Isothiourea catalysed enantioselective generation of point and axially chiral iminothia- and iminoselenazinanones","Chemical Science","2025","16","23","10494","10502","10.1039/D5SC02435H","","x-ray","1.54184","CuKα","","0.0394","0.0386","","","0.1028","0.1033","","","","","","1.043","","","","has coordinates","300332","2025-07-04","15:46:08",""
"1575031","9.51115","0.00005","16.17558","0.00009","10.71507","0.00005","90","","91.4505","0.0005","90","","1647.97","0.015","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","(R,Z)-N-(4-oxo-3-phenyl-6-(trifluoromethyl)-1,3-selenazinan-2-ylidene)benzamide","","- C18 H13 F3 N2 O2 Se -","- C18 H13 F3 N2 O2 Se -","- C72 H52 F12 N8 O8 Se4 -","4","2","","Nimmo, Alastair J.; Goodfellow, Alister S.; Guntley, Jacob T.; McKay, Aidan P.; Cordes, David B.; Bühl, Michael; Smith, Andrew D.","Isothiourea catalysed enantioselective generation of point and axially chiral iminothia- and iminoselenazinanones","Chemical Science","2025","16","23","10494","10502","10.1039/D5SC02435H","","x-ray","1.54184","CuKα","","0.0285","0.028","","","0.0752","0.0755","","","","","","1.07","","","","has coordinates","300332","2025-07-04","15:46:10",""
"1575032","11.2146","0.0003","14.2724","0.0004","13.2961","0.0004","90","","105.298","0.0012","90","","2052.76","0.1","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H37 B2 N -","- C25 H37 B2 N -","- C100 H148 B8 N4 -","4","1","","Bisai, Milan Kumar; Łosiewicz, Justyna; Nichol, Gary S.; Dominey, Andrew P.; Thomas, Stephen P.; Macgregor, Stuart A.; Ingleson, Michael J.","Ligand non-innocence and an unusual σ-bond metathesis step enables catalytic borylation using 9-borabicyclo-[3.3.1]-nonane","Chemical Science","2025","16","21","9255","9263","10.1039/D5SC02085A","","","0.71073","MoKα","","0.0403","0.0248","","","0.0397","0.045","","","","","","1.1054","","","","has coordinates","300333","2025-07-04","15:50:57",""
"1575033","6.5122","0.0002","9.5179","0.0005","10.1405","0.0007","116.147","0.006","98.075","0.004","99.496","0.003","540.11","0.06","120","0.1","120","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H32 B2 S2 -","- C24 H32 B2 S2 -","- C24 H32 B2 S2 -","1","0.5","","Bisai, Milan Kumar; Łosiewicz, Justyna; Nichol, Gary S.; Dominey, Andrew P.; Thomas, Stephen P.; Macgregor, Stuart A.; Ingleson, Michael J.","Ligand non-innocence and an unusual σ-bond metathesis step enables catalytic borylation using 9-borabicyclo-[3.3.1]-nonane","Chemical Science","2025","16","21","9255","9263","10.1039/D5SC02085A","","x-ray","1.54184","CuKα","","0.0509","0.0455","","","0.13","0.133","","","","","","1.065","","","","has coordinates","300333","2025-07-04","15:50:58",""
"1575034","6.45827","0.00007","21.26402","0.00019","18.39205","0.00017","90","","94.8085","0.0009","90","","2516.87","0.04","120","0.1","120","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H34 B2 S3 -","- C28 H34 B2 S3 -","- C112 H136 B8 S12 -","4","2","","Bisai, Milan Kumar; Łosiewicz, Justyna; Nichol, Gary S.; Dominey, Andrew P.; Thomas, Stephen P.; Macgregor, Stuart A.; Ingleson, Michael J.","Ligand non-innocence and an unusual σ-bond metathesis step enables catalytic borylation using 9-borabicyclo-[3.3.1]-nonane","Chemical Science","2025","16","21","9255","9263","10.1039/D5SC02085A","","x-ray","1.54184","CuKα","","0.0394","0.0376","","","0.0959","0.0975","","","","","","1.031","","","","has coordinates,has disorder","300333","2025-07-04","15:50:58",""
"1575035","6.4133","0.0007","8.766","0.001","9.6703","0.0011","112.891","0.003","91.006","0.003","102.222","0.003","486.47","0.1","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H30 B2 S2 -","- C22 H30 B2 S2 -","- C22 H30 B2 S2 -","1","0.5","","Bisai, Milan Kumar; Łosiewicz, Justyna; Nichol, Gary S.; Dominey, Andrew P.; Thomas, Stephen P.; Macgregor, Stuart A.; Ingleson, Michael J.","Ligand non-innocence and an unusual σ-bond metathesis step enables catalytic borylation using 9-borabicyclo-[3.3.1]-nonane","Chemical Science","2025","16","21","9255","9263","10.1039/D5SC02085A","","","0.71073","MoKα","","0.0494","0.0423","","","0.1121","0.1183","","","","","","1.0978","","","","has coordinates","300333","2025-07-04","15:50:59",""
"1575036","13.5001","0.0005","15.0759","0.0005","12.6679","0.0005","90","","90","","90","","2578.25","0.16","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C29 H48 B3 N -","- C29 H48 B3 N -","- C116 H192 B12 N4 -","4","0.5","","Bisai, Milan Kumar; Łosiewicz, Justyna; Nichol, Gary S.; Dominey, Andrew P.; Thomas, Stephen P.; Macgregor, Stuart A.; Ingleson, Michael J.","Ligand non-innocence and an unusual σ-bond metathesis step enables catalytic borylation using 9-borabicyclo-[3.3.1]-nonane","Chemical Science","2025","16","21","9255","9263","10.1039/D5SC02085A","","","0.71073","MoKα","","0.0301","0.0199","","","0.0349","0.0388","","","","","","1.1684","","","","has coordinates","300333","2025-07-04","15:50:59",""
"1575037","12.7925","0.0004","24.0811","0.0007","13.5539","0.0005","90","","107.123","0.002","90","","3990.3","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H63 B N2 Zn -","- C43 H63 B N2 Zn -","- C172 H252 B4 N8 Zn4 -","4","1","","Bisai, Milan Kumar; Łosiewicz, Justyna; Nichol, Gary S.; Dominey, Andrew P.; Thomas, Stephen P.; Macgregor, Stuart A.; Ingleson, Michael J.","Ligand non-innocence and an unusual σ-bond metathesis step enables catalytic borylation using 9-borabicyclo-[3.3.1]-nonane","Chemical Science","2025","16","21","9255","9263","10.1039/D5SC02085A","","","0.71073","MoKα","","0.041","0.0237","","","0.0297","0.0335","","","","","","1.0862","","","","has coordinates,has disorder","300333","2025-07-04","15:50:59",""
"1575038","6.3123","0.0003","6.8085","0.0003","9.1809","0.0004","98.952","0.004","105.115","0.004","108.659","0.004","348.36","0.03","119.99","0.1","119.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 Cu N2 O8 -","- C12 H16 Cu N2 O8 -","- C12 H16 Cu N2 O8 -","1","0.5","","Saha, Rajat; Sharma, Amitosh; Siddiqui, Anjila I.; Benmansour, Samia; Ortega-Castro, Joaquín; Frontera, Antonio; Mondal, Biswajit; Lah, Myoung Soo; Gómez García, Carlos J.","Simultaneous electron and proton conduction in a stable metal organic material with highly selective electrocatalytic oxygen reduction reaction to water","Chemical Science","2025","16","21","9501","9508","10.1039/D5SC02474A","","x-ray","1.54184","CuKα","","0.0316","0.0283","","","0.0711","0.0784","","","","","","1.112","","","","has coordinates","300334","2025-07-04","15:51:50",""
"1575039","11.8011","0.001","13.8575","0.001","26.5401","0.0017","90","","90","","90","","4340.2","0.6","149.98","0.1","149.98","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H26 Br2 N P -","- C22 H26 Br2 N P -","- C176 H208 Br16 N8 P8 -","8","2","","Chen, Jing-Hua; Luo, Jian-Bin; He, Zi-Lin; Peng, Qing-Peng; Wei, Jun-Hua; Zhang, Zhi-Zhong; Guo, Xiu-Xian; Kuang, Dai-Bin","An anti-thermal-quenching organic–inorganic hybrid manganese-based single-crystal scintillator for high-temperature X-ray imaging","Chemical Science","2025","16","21","9375","9384","10.1039/D4SC08499C","","x-ray","0.71073","MoKα","","0.0841","0.0534","","","0.0873","0.0999","","","","","","1.05","","","","has coordinates","300335","2025-07-04","15:54:16",""
"1575040","13.0431","0.0005","11.9668","0.0005","18.5423","0.0006","90","","100.809","0.004","90","","2842.81","0.19","302.99","0.1","302.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Br4 Mn N P -","- C24 H30 Br4 Mn N P -","- C96 H120 Br16 Mn4 N4 P4 -","4","1","","Chen, Jing-Hua; Luo, Jian-Bin; He, Zi-Lin; Peng, Qing-Peng; Wei, Jun-Hua; Zhang, Zhi-Zhong; Guo, Xiu-Xian; Kuang, Dai-Bin","An anti-thermal-quenching organic–inorganic hybrid manganese-based single-crystal scintillator for high-temperature X-ray imaging","Chemical Science","2025","16","21","9375","9384","10.1039/D4SC08499C","","x-ray","0.71073","MoKα","","0.1055","0.0558","","","0.103","0.1277","","","","","","1.031","","","","has coordinates","300335","2025-07-04","15:54:17",""
"1575041","13.0107","0.0006","12.3135","0.0007","18.7294","0.0008","90","","101.032","0.004","90","","2945.1","0.3","472.99","0.1","473.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Br4 Mn N P -","- C24 H30 Br4 Mn N P -","- C96 H120 Br16 Mn4 N4 P4 -","4","1","","Chen, Jing-Hua; Luo, Jian-Bin; He, Zi-Lin; Peng, Qing-Peng; Wei, Jun-Hua; Zhang, Zhi-Zhong; Guo, Xiu-Xian; Kuang, Dai-Bin","An anti-thermal-quenching organic–inorganic hybrid manganese-based single-crystal scintillator for high-temperature X-ray imaging","Chemical Science","2025","16","21","9375","9384","10.1039/D4SC08499C","","","0.71073","MoKα","","0.1754","0.0688","","","0.148","0.2002","","","","","","1.008","","","","has coordinates","300335","2025-07-04","15:54:18",""
"1575042","13.0405","0.0005","11.9672","0.0005","18.5389","0.0006","90","","100.787","0.004","90","","2842.03","0.19","302.99","0.1","303.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H29 Br4 Mn N P -","- C24 H30 Br4 Mn N P -","- C96 H120 Br16 Mn4 N4 P4 -","4","1","","Chen, Jing-Hua; Luo, Jian-Bin; He, Zi-Lin; Peng, Qing-Peng; Wei, Jun-Hua; Zhang, Zhi-Zhong; Guo, Xiu-Xian; Kuang, Dai-Bin","An anti-thermal-quenching organic–inorganic hybrid manganese-based single-crystal scintillator for high-temperature X-ray imaging","Chemical Science","2025","16","21","9375","9384","10.1039/D4SC08499C","","","0.71073","MoKα","","0.1131","0.0545","","","0.0936","0.1183","","","","","","1.003","","","","has coordinates","300335","2025-07-04","15:54:18",""
"1575043","13.0435","0.0003","11.7766","0.0003","18.3955","0.0004","90","","100.719","0.002","90","","2776.39","0.11","149.99","0.1","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Br4 Mn N P -","- C24 H30 Br4 Mn N P -","- C96 H120 Br16 Mn4 N4 P4 -","4","1","","Chen, Jing-Hua; Luo, Jian-Bin; He, Zi-Lin; Peng, Qing-Peng; Wei, Jun-Hua; Zhang, Zhi-Zhong; Guo, Xiu-Xian; Kuang, Dai-Bin","An anti-thermal-quenching organic–inorganic hybrid manganese-based single-crystal scintillator for high-temperature X-ray imaging","Chemical Science","2025","16","21","9375","9384","10.1039/D4SC08499C","","x-ray","0.71073","MoKα","","0.049","0.0376","","","0.0779","0.0841","","","","","","1.029","","","","has coordinates","300335","2025-07-04","15:54:18",""
"1575044","8.5137","0.0002","12.2993","0.0004","12.7994","0.0003","105.646","0.002","95.716","0.002","93.676","0.002","1278.38","0.06","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 Br4 Mn N P -","- C22 H26 Br4 Mn N P -","- C44 H52 Br8 Mn2 N2 P2 -","2","1","","Chen, Jing-Hua; Luo, Jian-Bin; He, Zi-Lin; Peng, Qing-Peng; Wei, Jun-Hua; Zhang, Zhi-Zhong; Guo, Xiu-Xian; Kuang, Dai-Bin","An anti-thermal-quenching organic–inorganic hybrid manganese-based single-crystal scintillator for high-temperature X-ray imaging","Chemical Science","2025","16","21","9375","9384","10.1039/D4SC08499C","","x-ray","0.71073","MoKα","","0.0504","0.0336","","","0.0651","0.0711","","","","","","1.038","","","","has coordinates","300335","2025-07-04","15:54:18",""
"1575045","13.0324","0.0006","12.1492","0.0006","18.6523","0.0008","90","","100.893","0.004","90","","2900.1","0.2","402.99","0.1","403.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Br4 Mn N P -","- C24 H30 Br4 Mn N P -","- C96 H120 Br16 Mn4 N4 P4 -","4","1","","Chen, Jing-Hua; Luo, Jian-Bin; He, Zi-Lin; Peng, Qing-Peng; Wei, Jun-Hua; Zhang, Zhi-Zhong; Guo, Xiu-Xian; Kuang, Dai-Bin","An anti-thermal-quenching organic–inorganic hybrid manganese-based single-crystal scintillator for high-temperature X-ray imaging","Chemical Science","2025","16","21","9375","9384","10.1039/D4SC08499C","","","0.71073","MoKα","","0.1544","0.0648","","","0.1365","0.1824","","","","","","0.981","","","","has coordinates","300335","2025-07-04","15:54:18",""
"1575046","27.4156","0.0019","14.9303","0.0008","11.6527","0.0007","90","","101.431","0.006","90","","4675.1","0.5","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29.5 Br2 N P -","- C24 H30 Br2 N P -","- C192 H240 Br16 N8 P8 -","8","2","","Chen, Jing-Hua; Luo, Jian-Bin; He, Zi-Lin; Peng, Qing-Peng; Wei, Jun-Hua; Zhang, Zhi-Zhong; Guo, Xiu-Xian; Kuang, Dai-Bin","An anti-thermal-quenching organic–inorganic hybrid manganese-based single-crystal scintillator for high-temperature X-ray imaging","Chemical Science","2025","16","21","9375","9384","10.1039/D4SC08499C","","x-ray","0.71073","MoKα","","0.0891","0.0509","","","0.0929","0.1077","","","","","","1.028","","","","has coordinates","300335","2025-07-04","15:54:19",""
"1575048","9.2269","0.0002","13.0774","0.0003","15.755","0.0004","90","","100.223","0.001","90","","1870.88","0.08","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H19 F O3 -","- C24 H19 F O3 -","- C96 H76 F4 O12 -","4","2","","Lin, Ziwei; Jiang, Yuqing; Wang, Fen; Huang, Genping; Li, Jessica; Li, Xingwei","Palladium-catalyzed redox diversified entry to axially chiral styrenes <i>via</i> asymmetric olefination with alkynes.","Chemical science","2025","16","31","14252","14261","10.1039/d5sc04080a","","","1.54178","CuKα","","0.0339","0.0334","","","0.0947","0.0953","","","","","","1.03","","","","has coordinates","302512","2025-10-06","07:45:23",""
"1575049","9.8872","0.0012","31.082","0.004","11.0103","0.0014","90","","108.905","0.004","90","","3201.1","0.7","243","","243","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C152 H132 N4 O20 S4 -","- C152 H132 N4 O20 S4 -","- C152 H132 N4 O20 S4 -","1","0.5","","Lin, Ziwei; Jiang, Yuqing; Wang, Fen; Huang, Genping; Li, Jessica; Li, Xingwei","Palladium-catalyzed redox diversified entry to axially chiral styrenes <i>via</i> asymmetric olefination with alkynes.","Chemical science","2025","16","31","14252","14261","10.1039/d5sc04080a","","","1.54178","CuKα","","0.0906","0.0895","","","0.2533","0.2551","","","","","","0.995","","","","has coordinates","302512","2025-10-06","07:45:23",""
"1575050","10.0206","0.0009","15.6245","0.0014","17.2804","0.0016","90","","90","","90","","2705.5","0.4","183","","183","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 N O5 S -","- C30 H33 N O5 S -","- C120 H132 N4 O20 S4 -","4","1","","Lin, Ziwei; Jiang, Yuqing; Wang, Fen; Huang, Genping; Li, Jessica; Li, Xingwei","Palladium-catalyzed redox diversified entry to axially chiral styrenes <i>via</i> asymmetric olefination with alkynes.","Chemical science","2025","16","31","14252","14261","10.1039/d5sc04080a","","","1.54178","CuKα","","0.0325","0.0318","","","0.0867","0.0874","","","","","","1.0479","","","","has coordinates","302512","2025-10-06","07:45:23",""
"1575066","8.2856","0.0012","17.898","0.002","21.953","0.003","108.813","0.011","97.313","0.012","93.276","0.011","3039.8","0.7","150","0.14","150","0.14","","","","","","","","4","P -1","-P 1","2","","Syn 1","","- C65.1 H32.4 Cl16 N2 -","- C56 H22 Cl16 N2 -","- C112 H44 Cl32 N4 -","2","1","","Arnold, Mona E.; Lebzelter, Anika; Thielert, Philipp; Blinder, Rémi; Schmid, Jonas; Zolg, Julia; Spatola, Emanuele; Jelezko, Fedor; von Delius, Max; Richert, Sabine; Kuehne, Alexander J. C.","Photostable triphenylmethyl-based diradicals with a degenerate singlet-triplet ground state and strong photoluminescence.","Chemical science","2025","16","32","14616","14624","10.1039/d5sc03673a","","x-ray","1.54184","CuKα","","0.1899","0.0882","","","0.1854","0.2727","","","","","","0.852","","","","has coordinates","302492","2025-10-06","07:37:46",""
"1575071","12.0927","0.0005","12.8115","0.0006","26.9444","0.0009","90","","90","","90","","4174.4","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H24 B10 S3 Ti -","- C12 H24 B10 S3 Ti -","- C96 H192 B80 S24 Ti8 -","8","1","","Bairagi, Subhash; Patel, Deepak Kumar; Chatterjee, Debipada; Kučeráková, Monika; Macháček, Jan; Base, Tomas; Pradeep, Thalappil; Ghosh, Sundargopal","Cluster <i>versus</i> coordination: the chemistry of cyclopentadienyl titanium and vanadium complexes with B- and C-functionalized carborane-thiols, [C<sub>2</sub>B<sub>10</sub>H<sub>12-<i>n</i></sub> (SH) <sub><i>n</i></sub> ] (<i>n</i> = 2 or 3).","Chemical science","2025","16","31","14127","14139","10.1039/d5sc03562g","","","0.71073","MoKα","","0.0864","0.0506","","","0.1038","0.1194","","","","","","1.028","","","","has coordinates","302505","2025-10-06","07:43:06",""
"1575072","10.449","0.002","14.2128","0.0019","13.26","0.003","90","","92.289","0.007","90","","1967.7","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 B9 S3 V -","- C12 H24 B9 S3 V -","- C48 H96 B36 S12 V4 -","4","1","","Bairagi, Subhash; Patel, Deepak Kumar; Chatterjee, Debipada; Kučeráková, Monika; Macháček, Jan; Base, Tomas; Pradeep, Thalappil; Ghosh, Sundargopal","Cluster <i>versus</i> coordination: the chemistry of cyclopentadienyl titanium and vanadium complexes with B- and C-functionalized carborane-thiols, [C<sub>2</sub>B<sub>10</sub>H<sub>12-<i>n</i></sub> (SH) <sub><i>n</i></sub> ] (<i>n</i> = 2 or 3).","Chemical science","2025","16","31","14127","14139","10.1039/d5sc03562g","","","0.71073","MoKα","","0.1146","0.0565","","","0.1075","0.1322","","","","","","0.994","","","","has coordinates","302505","2025-10-06","07:43:09",""
"1575073","13.4518","0.0006","12.5002","0.0006","19.0272","0.0011","90","","90","","90","","3199.4","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H14 B10 S3 Ti -","- C7 H14 B10 S3 Ti -","- C56 H112 B80 S24 Ti8 -","8","1","","Bairagi, Subhash; Patel, Deepak Kumar; Chatterjee, Debipada; Kučeráková, Monika; Macháček, Jan; Base, Tomas; Pradeep, Thalappil; Ghosh, Sundargopal","Cluster <i>versus</i> coordination: the chemistry of cyclopentadienyl titanium and vanadium complexes with B- and C-functionalized carborane-thiols, [C<sub>2</sub>B<sub>10</sub>H<sub>12-<i>n</i></sub> (SH) <sub><i>n</i></sub> ] (<i>n</i> = 2 or 3).","Chemical science","2025","16","31","14127","14139","10.1039/d5sc03562g","","","0.71073","MoKα","","0.0379","0.029","","","0.0709","0.0764","","","","","","1.048","","","","has coordinates,has disorder","302505","2025-10-06","07:43:10",""
"1575074","12.1687","0.0009","12.8758","0.001","26.9268","0.0018","90","","90","","90","","4218.9","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H27 B11 S2 Ti -","- C12 H27 B11 S2 Ti -","- C96 H216 B88 S16 Ti8 -","8","1","","Bairagi, Subhash; Patel, Deepak Kumar; Chatterjee, Debipada; Kučeráková, Monika; Macháček, Jan; Base, Tomas; Pradeep, Thalappil; Ghosh, Sundargopal","Cluster <i>versus</i> coordination: the chemistry of cyclopentadienyl titanium and vanadium complexes with B- and C-functionalized carborane-thiols, [C<sub>2</sub>B<sub>10</sub>H<sub>12-<i>n</i></sub> (SH) <sub><i>n</i></sub> ] (<i>n</i> = 2 or 3).","Chemical science","2025","16","31","14127","14139","10.1039/d5sc03562g","","","0.71073","MoKα","","0.0594","0.0433","","","0.1091","0.1175","","","","","","1.123","","","","has coordinates","302505","2025-10-06","07:43:10",""
"1575075","22.5923","0.0005","21.4585","0.0009","12.9948","0.001","90","","96.737","0.0014","90","","6256.3","0.6","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C83 H130 B10 S15 Ti10 -","- C83 H130 B10 S15 Ti10 -","- C166 H260 B20 S30 Ti20 -","2","0.5","","Bairagi, Subhash; Patel, Deepak Kumar; Chatterjee, Debipada; Kučeráková, Monika; Macháček, Jan; Base, Tomas; Pradeep, Thalappil; Ghosh, Sundargopal","Cluster <i>versus</i> coordination: the chemistry of cyclopentadienyl titanium and vanadium complexes with B- and C-functionalized carborane-thiols, [C<sub>2</sub>B<sub>10</sub>H<sub>12-<i>n</i></sub> (SH) <sub><i>n</i></sub> ] (<i>n</i> = 2 or 3).","Chemical science","2025","16","31","14127","14139","10.1039/d5sc03562g","","","0.71073","MoKα","","0.0977","0.0763","","","0.2219","0.2465","","","","","","1.05","","","","has coordinates,has disorder","302505","2025-10-06","07:43:10",""
"1575076","13.468","0.0008","24.0416","0.0015","22.536","0.0016","90","","100.988","0.002","90","","7163.2","0.8","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C88 H160 B40 O4 S20 Ti12 -","- C88 H160 B40 O4 S20 Ti12 -","- C176 H320 B80 O8 S40 Ti24 -","2","0.5","","Bairagi, Subhash; Patel, Deepak Kumar; Chatterjee, Debipada; Kučeráková, Monika; Macháček, Jan; Base, Tomas; Pradeep, Thalappil; Ghosh, Sundargopal","Cluster <i>versus</i> coordination: the chemistry of cyclopentadienyl titanium and vanadium complexes with B- and C-functionalized carborane-thiols, [C<sub>2</sub>B<sub>10</sub>H<sub>12-<i>n</i></sub> (SH) <sub><i>n</i></sub> ] (<i>n</i> = 2 or 3).","Chemical science","2025","16","31","14127","14139","10.1039/d5sc03562g","","","0.71073","MoKα","","0.0698","0.0445","","","0.1111","0.1256","","","","","","1.026","","","","has coordinates","302505","2025-10-06","07:43:10",""
"1575077","7.6245","0.0008","11.3457","0.0011","18.9104","0.0016","98.867","0.007","96.371","0.008","104.22","0.009","1547.7","0.3","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C43 H30 N2 -","- C43 H30 N2 -","- C86 H60 N4 -","2","1","","Du, Yuqin; Peng, Yali; Dong, Wenjian; Xu, Huixia; Li, Xinyu; Chen, Kang; Wang, Feng; Miao, Yanqin; Tao, Peng; Wang, Hua; Yu, Junsheng","Hybridized local and charge-transfer materials using pyrene as π-bridge towards negligible efficiency roll-off in non-doped OLED.","Chemical science","2025","16","31","14342","14349","10.1039/d5sc01756d","","x-ray","0.71073","MoKα","","0.1451","0.0693","","","0.1559","0.1898","","","","","","1.002","","","","has coordinates","302517","2025-10-06","07:46:24",""
"1575078","7.88303","0.00017","9.5602","0.0003","36.0425","0.0008","90","","93.3839","0.0019","90","","2711.55","0.12","160","0.1","160","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 B Br2 F2 N2 O3 -","- C30 H25 B Br2 F2 N2 O3 -","- C120 H100 B4 Br8 F8 N8 O12 -","4","1","","Kuznetsov, Kirill M.; Mesdom, Pierre; Purkait, Kallol; Blacque, Olivier; Winter, Arthur H.; Cariou, Kevin; Gasser, Gilles","Phototoxicity of hydroxymethyl-BODIPYs: are photocages that innocent?","Chemical science","2025","16","32","14553","14563","10.1039/d5sc04032a","","x-ray","1.54184","CuKα","","0.0669","0.0572","","","0.1396","0.1441","","","","","","1.194","","","","has coordinates","302495","2025-10-06","07:38:56",""
"1575079","9.4724","0.0007","36.55","0.003","9.4864","0.0007","90","","117.303","0.003","90","","2918.4","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H34 B N O2 -","- C39 H34 B N O2 -","- C156 H136 B4 N4 O8 -","4","2","","Chen, Zi-Jian; Lu, Hsiu-Feng; Chiu, Chun-Wei; Liu, Yi-Hung; Hsu, Chao-Ping; Yang, Jye-Shane","Extrinsic gating of the rotary direction of a light-driven molecular motor by dynamic boronic acid-diol complexation.","Chemical science","2025","16","31","14366","14376","10.1039/d5sc03240g","","","1.54178","CuKα","","0.0635","0.0586","","","0.1525","0.1611","","","","","","1.071","","","","has coordinates","302510","2025-10-06","07:44:31",""
"1575080","17.4621","0.001","8.4696","0.0005","27.8916","0.0016","90","","90","","90","","4125.1","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H24 B N O2 -","- C25 H24 B N O2 -","- C200 H192 B8 N8 O16 -","8","1","","Chen, Zi-Jian; Lu, Hsiu-Feng; Chiu, Chun-Wei; Liu, Yi-Hung; Hsu, Chao-Ping; Yang, Jye-Shane","Extrinsic gating of the rotary direction of a light-driven molecular motor by dynamic boronic acid-diol complexation.","Chemical science","2025","16","31","14366","14376","10.1039/d5sc03240g","","","1.54178","CuKα","","0.0407","0.0394","","","0.0982","0.0995","","","","","","1.06","","","","has coordinates","302510","2025-10-06","07:44:33",""
"1575083","35.035","0.003","10.1418","0.0008","16.1052","0.0015","90","","108.426","0.003","90","","5429.1","0.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H43 N2 Sc -","- C32 H43 N2 Sc -","- C256 H344 N16 Sc8 -","8","1","","You, Fen; Zhao, Yanan; Shi, Xiaochao","Octahydrofluorenyl rare-earth metal-catalyzed simultaneous chain-growth and step-growth polymerization of para-methoxystyrene","Polymer Chemistry","2025","16","32","3650","3660","10.1039/D5PY00591D","","","0.71073","MoKα","","0.0533","0.0388","","","0.0891","0.1009","","","","","","1.074","","","","has coordinates,has disorder","302794","2025-10-06","10:39:38",""
"1575084","35.6226","0.0008","10.224","0.0002","16.1859","0.0003","90","","108.227","0.001","90","","5599.2","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H43 Gd N2 -","- C32 H43 Gd N2 -","- C256 H344 Gd8 N16 -","8","1","","You, Fen; Zhao, Yanan; Shi, Xiaochao","Octahydrofluorenyl rare-earth metal-catalyzed simultaneous chain-growth and step-growth polymerization of para-methoxystyrene","Polymer Chemistry","2025","16","32","3650","3660","10.1039/D5PY00591D","","","0.71073","MoKα","","0.0269","0.0209","","","0.0467","0.0505","","","","","","1.085","","","","has coordinates,has disorder","302794","2025-10-06","10:39:39",""
"1575085","35.5583","0.0011","10.2175","0.0003","16.1683","0.0006","90","","108.351","0.001","90","","5575.5","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H43 N2 Tb -","- C32 H43 N2 Tb -","- C256 H344 N16 Tb8 -","8","1","","You, Fen; Zhao, Yanan; Shi, Xiaochao","Octahydrofluorenyl rare-earth metal-catalyzed simultaneous chain-growth and step-growth polymerization of para-methoxystyrene","Polymer Chemistry","2025","16","32","3650","3660","10.1039/D5PY00591D","","","0.71073","MoKα","","0.0256","0.0221","","","0.0447","0.0465","","","","","","1.097","","","","has coordinates,has disorder","302794","2025-10-06","10:39:39",""
"1575086","35.403","0.003","10.1885","0.001","16.1303","0.0011","90","","108.195","0.002","90","","5527.3","0.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H43 Er N2 -","- C32 H43 Er N2 -","- C256 H344 Er8 N16 -","8","1","","You, Fen; Zhao, Yanan; Shi, Xiaochao","Octahydrofluorenyl rare-earth metal-catalyzed simultaneous chain-growth and step-growth polymerization of para-methoxystyrene","Polymer Chemistry","2025","16","32","3650","3660","10.1039/D5PY00591D","","","0.71073","MoKα","","0.0347","0.0272","","","0.0555","0.0595","","","","","","1.081","","","","has coordinates,has disorder","302794","2025-10-06","10:39:39",""
"1575088","20.6","","20.6","","7.36","","90","","90","","90","","3123.29","","293","2","293","2","","","","","","","","4","P 42","P 4c","77","CIM-2","","","- C H N O -","- C162 H112 N8 O8 -","- C162 H112 N8 O8 -","1","0.25","","Liu, Jiaqiang; Su, Xin; Xu, Yan; Tang, Weiwei; Yang, Taimin; Gong, Junbo","Facile and scalable synthesis of high-quality three-dimensional imine-linked covalent organic frameworks <i>via</i> crystalline intermediate transformation.","Chemical science","2025","16","33","15037","15044","10.1039/d5sc04741b","","","0.0197","","","0.2291","0.1943","","","0.4532","0.4966","","","","","","1.023","","","","has coordinates","302500","2025-10-06","07:40:13",""
"1575089","24.8","","24.8","","7.86","","90","","90","","90","","4834.21","","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","CIM-1","","","- C228 H128 N16 O16 -","- C228 H128 N16 O16 -","- C228 H128 N16 O16 -","1","0.0625","","Liu, Jiaqiang; Su, Xin; Xu, Yan; Tang, Weiwei; Yang, Taimin; Gong, Junbo","Facile and scalable synthesis of high-quality three-dimensional imine-linked covalent organic frameworks <i>via</i> crystalline intermediate transformation.","Chemical science","2025","16","33","15037","15044","10.1039/d5sc04741b","","","0.0197","","","0.3152","0.2696","","","0.6413","0.659","","","","","","1.075","","","","has coordinates","302500","2025-10-06","07:40:14",""
"1575090","6.6993","0.0011","14.819","0.002","21.974","0.003","90","","90","","90","","2181.5","0.6","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 B O4 -","- C23 H29 B O4 -","- C92 H116 B4 O16 -","4","1","","Ramudu, G. Raghu; Patil, Vaibhav B.; Nanubolu, Jagadeesh Babu; Chegondi, Rambabu","Cu(i)-catalyzed enantioselective and stereospecific borylative annulation of cyclic 1,3-dione-tethered 1,3-enynes.","Chemical science","2025","16","33","14988","14994","10.1039/d5sc03007b","","","0.71073","MoKα","","0.0849","0.0522","","","0.1022","0.1123","","","","","","1.033","","","","has coordinates,has disorder","302501","2025-10-06","07:40:36",""
"1575091","6.661","0.002","19.722","0.005","20.481","0.005","90","","90","","90","","2690.6","1.2","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 B Br O4 -","- C29 H32 B Br O4 -","- C116 H128 B4 Br4 O16 -","4","1","","Ramudu, G. Raghu; Patil, Vaibhav B.; Nanubolu, Jagadeesh Babu; Chegondi, Rambabu","Cu(i)-catalyzed enantioselective and stereospecific borylative annulation of cyclic 1,3-dione-tethered 1,3-enynes.","Chemical science","2025","16","33","14988","14994","10.1039/d5sc03007b","","","0.71073","MoKα","","0.1134","0.0462","","","0.1034","0.1278","","","","","","1.01","","","","has coordinates,has disorder","302501","2025-10-06","07:40:38",""
"1575092","8.1618","0.0002","11.0202","0.0003","12.1858","0.0003","80.226","0.006","71.038","0.005","81.929","0.006","1017.24","0.06","93","2","93.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 N O5 -","- C24 H23 N O5 -","- C48 H46 N2 O10 -","2","1","","Isono, Tomohiro; Harada, Shingo; Yanagawa, Mai; Nemoto, Tetsuhiro","Copper-catalyzed direct regioselective C5-H alkylation reactions of functionalized indoles with α-diazomalonates.","Chemical science","2025","16","33","14967","14975","10.1039/d5sc03417e","","x-ray","1.54187","CuKα","","0.0563","0.0429","","","0.1096","0.1165","","","","","","1.054","","","","has coordinates,has disorder","302499","2025-10-06","07:39:58",""
"1575093","9.3355","0.0008","11.5289","0.0012","14.8376","0.0015","100.397","0.003","93.544","0.003","110.076","0.003","1462","0.2","102","2","102","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H28 N4 O4 -","- C37 H28 N4 O4 -","- C74 H56 N8 O8 -","2","1","","Huber, Alexander; Thiele, Tobias; Rex, Tobias; Daniliuc, Constantin; Wölper, Christoph; Lorberg, Rick Y.; Höfmann, Lea; Strassert, Cristian A.; Giese, Michael; Voskuhl, Jens","Steric pressure in heteropentacenes modulates the photophysical properties - a molecular design strategy for functional materials.","Chemical science","2025","16","34","15723","15733","10.1039/d5sc03028e","","x-ray","0.71073","MoKα","","0.089","0.063","","","0.1617","0.1877","","","","","","1.014","","","","has coordinates","302553","2025-10-06","08:02:14",""
"1575094","30.5559","0.0013","6.7574","0.0003","21.5694","0.0009","90","","124.734","0.002","90","","3660","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H13 F2 N3 O2 -","- C22 H13 F2 N3 O2 -","- C176 H104 F16 N24 O16 -","8","1","","Huber, Alexander; Thiele, Tobias; Rex, Tobias; Daniliuc, Constantin; Wölper, Christoph; Lorberg, Rick Y.; Höfmann, Lea; Strassert, Cristian A.; Giese, Michael; Voskuhl, Jens","Steric pressure in heteropentacenes modulates the photophysical properties - a molecular design strategy for functional materials.","Chemical science","2025","16","34","15723","15733","10.1039/d5sc03028e","","x-ray","1.54178","CuKα","","0.0619","0.048","","","0.1237","0.1368","","","","","","1.02","","","","has coordinates","302553","2025-10-06","08:02:15",""
"1575095","6.8945","0.0007","7.9423","0.0008","12.3462","0.0012","74.095","0.003","83.457","0.003","82.201","0.003","642.07","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H22 N4 O2 -","- C34 H22 N4 O2 -","- C34 H22 N4 O2 -","1","0.5","","Huber, Alexander; Thiele, Tobias; Rex, Tobias; Daniliuc, Constantin; Wölper, Christoph; Lorberg, Rick Y.; Höfmann, Lea; Strassert, Cristian A.; Giese, Michael; Voskuhl, Jens","Steric pressure in heteropentacenes modulates the photophysical properties - a molecular design strategy for functional materials.","Chemical science","2025","16","34","15723","15733","10.1039/d5sc03028e","","","0.71073","MoKα","","0.061","0.0478","","","0.1329","0.1438","","","","","","1.041","","","","has coordinates","302553","2025-10-06","08:02:15",""
"1575096","7.684","0.0007","7.9687","0.0008","12.3504","0.0012","71.581","0.003","72.351","0.003","85.723","0.003","683.53","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H26 N4 O4 -","- C36 H26 N4 O4 -","- C36 H26 N4 O4 -","1","0.5","","Huber, Alexander; Thiele, Tobias; Rex, Tobias; Daniliuc, Constantin; Wölper, Christoph; Lorberg, Rick Y.; Höfmann, Lea; Strassert, Cristian A.; Giese, Michael; Voskuhl, Jens","Steric pressure in heteropentacenes modulates the photophysical properties - a molecular design strategy for functional materials.","Chemical science","2025","16","34","15723","15733","10.1039/d5sc03028e","","","1.54178","CuKα","","0.0378","0.0345","","","0.0928","0.0964","","","","","","1.067","","","","has coordinates","302553","2025-10-06","08:02:15",""
"1575097","11.6575","0.0002","12.9957","0.0003","14.0878","0.0003","66.322","0.001","89.808","0.001","75.429","0.001","1880.21","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H15 F2 N3 O2 -","- C23 H15 F2 N3 O2 -","- C92 H60 F8 N12 O8 -","4","2","","Huber, Alexander; Thiele, Tobias; Rex, Tobias; Daniliuc, Constantin; Wölper, Christoph; Lorberg, Rick Y.; Höfmann, Lea; Strassert, Cristian A.; Giese, Michael; Voskuhl, Jens","Steric pressure in heteropentacenes modulates the photophysical properties - a molecular design strategy for functional materials.","Chemical science","2025","16","34","15723","15733","10.1039/d5sc03028e","","x-ray","1.54178","CuKα","","0.0417","0.0337","","","0.0829","0.0883","","","","","","1.031","","","","has coordinates","302553","2025-10-06","08:02:15",""
"1575098","17.4318","0.0003","7.66062","0.00014","34.8985","0.0004","90","","98.133","0.0013","90","","4613.42","0.13","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59 H54 B3 N O2 -","- C59 H54 B3 N O2 -","- C236 H216 B12 N4 O8 -","4","1","","Wu, Sen; Chen, Dongyang; Seinfeld, Mathilde; McKay, Aidan P.; Cordes, David B.; Zhang, Xiaohong; Zysman-Colman, Eli","A three boron doped B/O/N multi-resonant TADF emitter for improved reverse intersystem crossing rate and efficient pure blue organic light-emitting diodes.","Chemical science","2025","16","33","15256","15264","10.1039/d5sc03560k","","x-ray","1.54184","CuKα","","0.1151","0.0818","","","0.1905","0.2076","","","","","","1.143","","","","has coordinates","302497","2025-10-06","07:39:25",""
"1575099","12.1103","0.0016","12.1103","0.0016","94.1","0.02","90","","90","","120","","11952","3","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C66 H50 N6 Na4 O25 Si2 -","- C66 H50.0004 N6 Na4 O25 Si2 -","- C396 H300.002 N36 Na24 O150 Si12 -","6","0.166667","","Guan, Yu-Tao; Ji, Heng; Yang, Ju; Yu, Sai-Sai; Liu, Ming","Construction of helicates based on six-coordinated silicon centres.","Chemical science","2025","16","32","14448","14454","10.1039/d5sc03271g","","x-ray","1.54178","CuKα","","0.176","0.1432","","","0.313","0.3272","","","","","","1.109","","","","has coordinates,has disorder","302494","2025-10-06","07:38:43",""
"1575100","12.0214","0.0019","12.0214","0.0019","46.609","0.012","90","","90","","120","","5833","2","150","2","150","2","","","","","","","","6","P 3","P 3","143","","","","- C105 H107.5 N9.5 Na4 O23.5 Si2 -","- C81 H57 N6 Na4 O19.5 Si2 -","- C162 H114 N12 Na8 O39 Si4 -","2","0.666667","","Guan, Yu-Tao; Ji, Heng; Yang, Ju; Yu, Sai-Sai; Liu, Ming","Construction of helicates based on six-coordinated silicon centres.","Chemical science","2025","16","32","14448","14454","10.1039/d5sc03271g","","x-ray","1.54178","CuKα","","0.2075","0.094","","","0.232","0.2719","","","","","","1.074","","","","has coordinates","302494","2025-10-06","07:38:43",""
"1575101","12.0134","0.001","12.0134","0.001","44.831","0.008","90","","90","","120","","5603.3","1.2","150","2","150","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C212 H232 N14 Na8 O49 Si4 -","- C156 H96 N12 Na8 O36 Si4 -","- C156 H96 N12 Na8 O36 Si4 -","1","0.0833333","","Guan, Yu-Tao; Ji, Heng; Yang, Ju; Yu, Sai-Sai; Liu, Ming","Construction of helicates based on six-coordinated silicon centres.","Chemical science","2025","16","32","14448","14454","10.1039/d5sc03271g","","x-ray","1.54178","CuKα","","0.1243","0.0948","","","0.2369","0.2541","","","","","","1.046","","","","has coordinates","302494","2025-10-06","07:38:43",""
"1575102","15.2692","0.0002","15.2692","0.0002","28.4569","0.0007","90","","90","","120","","5745.8","0.18","150","2","150","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C92 H94 N6 Na4 O33 S3 Si2 -","- C84 H74.0004 N6 Na3.9999 O31 S3 Si2 -","- C168 H148.001 N12 Na7.9998 O62 S6 Si4 -","2","0.333333","","Guan, Yu-Tao; Ji, Heng; Yang, Ju; Yu, Sai-Sai; Liu, Ming","Construction of helicates based on six-coordinated silicon centres.","Chemical science","2025","16","32","14448","14454","10.1039/d5sc03271g","","x-ray","1.54178","CuKα","","0.077","0.0722","","","0.2028","0.2094","","","","","","1.037","","","","has coordinates,has disorder","302494","2025-10-06","07:38:43",""
"1575103","40.459","0.004","18.6423","0.0018","33.242","0.004","90","","95.13","0.006","90","","24972","5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C110.6 H139.3 N6 Na4 O38.05 Si2 -","- C102 H120 N6 Na4 O35 Si2 -","- C816 H960 N48 Na32 O280 Si16 -","8","1","","Guan, Yu-Tao; Ji, Heng; Yang, Ju; Yu, Sai-Sai; Liu, Ming","Construction of helicates based on six-coordinated silicon centres.","Chemical science","2025","16","32","14448","14454","10.1039/d5sc03271g","","x-ray","1.54178","CuKα","","0.2424","0.1768","","","0.3603","0.3869","","","","","","1.061","","","","has coordinates,has disorder","302494","2025-10-06","07:38:43",""
"1575104","26.7856","0.0007","22.6021","0.0007","23.289","0.0006","90","","113.954","0.002","90","","12885.1","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C233 H311 N12 Na8 O66.5 Si4 -","- C179 H176 N12 Na8 O53 Si4 -","- C358 H352 N24 Na16 O106 Si8 -","2","0.5","","Guan, Yu-Tao; Ji, Heng; Yang, Ju; Yu, Sai-Sai; Liu, Ming","Construction of helicates based on six-coordinated silicon centres.","Chemical science","2025","16","32","14448","14454","10.1039/d5sc03271g","","x-ray","1.54178","CuKα","","0.1571","0.1213","","","0.2793","0.2992","","","","","","1.012","","","","has coordinates,has disorder","302494","2025-10-06","07:38:43",""
"1575105","20.0833","0.0007","21.0558","0.0007","24.167","0.0008","97.617","0.002","111.2","0.002","91.323","0.002","9415.9","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H61.5 N6 Na4 O28.5 Si2 -","- C83.5 H74.5 N6 Na4 O27 Si2 -","- C334 H298 N24 Na16 O108 Si8 -","4","2","","Guan, Yu-Tao; Ji, Heng; Yang, Ju; Yu, Sai-Sai; Liu, Ming","Construction of helicates based on six-coordinated silicon centres.","Chemical science","2025","16","32","14448","14454","10.1039/d5sc03271g","","x-ray","1.54178","CuKα","","0.1624","0.0976","","","0.2192","0.2489","","","","","","1.041","","","","has coordinates","302494","2025-10-06","07:38:43",""
"1575109","18.6571","0.0008","16.184","0.0007","7.4554","0.0003","90","","91.619","0.002","90","","2250.23","0.16","273.15","","273.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 N2 -","- C31 H20 N2 -","- C124 H80 N8 -","4","1","","Zhang, Li; Ma, Chenglin; Wang, Xin; Zhou, Yannan; Song, Jingru; Sun, Mizhen; Sun, Qikun; Zhang, Shi-Tong; Yang, Wenjun; Xue, Shanfeng","Efficient near-ultraviolet (NUV) electroluminescence based on a benzonitrile acceptor HLCT material with balanced carrier mobilities and high color purity.","Chemical science","2025","16","32","14478","14484","10.1039/d5sc03458b","","","1.54178","CuKα","","0.0684","0.0541","","","0.1379","0.1457","","","","","","1.061","","","","has coordinates","302490","2025-10-06","07:37:25",""
"1575110","8.147","","9.625","","16.714","","97.07","","100.55","","113.8","","1150.29","","273.15","","273.15","","","","","","","","","3","P -1","-P 1","2","","","","- C31 H22 N2 -","- C31 H22 N2 -","- C62 H44 N4 -","2","1","","Zhang, Li; Ma, Chenglin; Wang, Xin; Zhou, Yannan; Song, Jingru; Sun, Mizhen; Sun, Qikun; Zhang, Shi-Tong; Yang, Wenjun; Xue, Shanfeng","Efficient near-ultraviolet (NUV) electroluminescence based on a benzonitrile acceptor HLCT material with balanced carrier mobilities and high color purity.","Chemical science","2025","16","32","14478","14484","10.1039/d5sc03458b","","","1.54178","CuKα","","0.1108","0.0799","","","0.2338","0.2713","","","","","","1.032","","","","has coordinates","302490","2025-10-06","07:37:25",""
"1575122","22.58","0.003","12.2624","0.0016","16.199","0.002","90","","94.048","0.005","90","","4474.1","1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H61 Br N2 P2 -","- C48 H45 Br N2 P2 -","- C192 H180 Br4 N8 P8 -","4","1","","Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens","Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides.","Chemical science","2025","16","35","16232","16239","10.1039/d5sc03320a","","","0.71073","MoKα","","0.0403","0.035","","","0.0966","0.1","","","","","","1.072","","","","has coordinates","302530","2025-10-06","07:50:54",""
"1575123","14.8002","0.0007","19.5276","0.0009","18.1091","0.0008","90","","91.085","0.002","90","","5232.8","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H59 Al As Cl5 N2 P2 -","- C48 H45 Al As Cl5 N2 P2 -","- C192 H180 Al4 As4 Cl20 N8 P8 -","4","1","","Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens","Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides.","Chemical science","2025","16","35","16232","16239","10.1039/d5sc03320a","","","0.71073","MoKα","","0.0726","0.0587","","","0.1657","0.1732","","","","","","1.061","","","","has coordinates","302530","2025-10-06","07:50:55",""
"1575124","10.682","0.004","18.781","0.009","22.801","0.01","90","","90.795","0.018","90","","4574","3","107","","107","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H51 Cl2 N2 O P2 Sb -","- C51 H51 Cl2 N2 O P2 Sb -","- C204 H204 Cl8 N8 O4 P8 Sb4 -","4","1","","Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens","Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides.","Chemical science","2025","16","35","16232","16239","10.1039/d5sc03320a","","","0.71073","MoKα","","0.0548","0.041","","","0.077","0.0817","","","","","","1.064","","","","has coordinates","302530","2025-10-06","07:50:56",""
"1575125","11.0961","0.0003","18.1134","0.0004","22.978","0.0006","90","","101.282","0.001","90","","4529.1","0.2","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H53 N2 O P2 Sb Se -","- C52 H53 N2 O P2 Sb Se -","- C208 H212 N8 O4 P8 Sb4 Se4 -","4","1","","Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens","Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides.","Chemical science","2025","16","35","16232","16239","10.1039/d5sc03320a","","","0.71073","MoKα","","0.0231","0.0208","","","0.0506","0.0517","","","","","","1.027","","","","has coordinates","302530","2025-10-06","07:50:56",""
"1575126","11.017","0.005","18.037","0.008","27.534","0.012","90","","90","","90","","5471","4","100","","100","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C56 H61 Al Cl5 N2 O2 P2 Sb -","- C52 H53 Al Cl5 N2 O P2 Sb -","- C208 H212 Al4 Cl20 N8 O4 P8 Sb4 -","4","1","","Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens","Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides.","Chemical science","2025","16","35","16232","16239","10.1039/d5sc03320a","","","0.71073","MoKα","","0.0663","0.0527","","","0.0969","0.1021","","","","","","1.031","","","","has coordinates","302530","2025-10-06","07:50:56",""
"1575127","24.7633","0.0006","16.3853","0.0004","26.216","0.0004","90","","90","","90","","10637.2","0.4","100","","100","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C55 H59 Al Cl3 N2 O1.75 P2 Sb -","- C55 H59 Al Cl3 N2 O1.75 P2 Sb -","- C440 H472 Al8 Cl24 N16 O14 P16 Sb8 -","8","1","","Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens","Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides.","Chemical science","2025","16","35","16232","16239","10.1039/d5sc03320a","","","0.71073","MoKα","","0.0802","0.0573","","","0.1301","0.1379","","","","","","1.084","","","","has coordinates,has disorder","302530","2025-10-06","07:50:56",""
"1575128","37.562","0.002","13.2376","0.0006","20.6432","0.0011","90","","104.313","0.002","90","","9945.8","0.9","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H68 B N2 O2.5 P2 Sb -","- C48 H48 B N2 P2 Sb -","- C384 H384 B8 N16 P16 Sb8 -","8","1","","Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens","Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides.","Chemical science","2025","16","35","16232","16239","10.1039/d5sc03320a","","","0.71073","MoKα","","0.0499","0.0378","","","0.1058","0.1154","","","","","","1.039","","","","has coordinates","302530","2025-10-06","07:50:56",""
"1575129","10.1844","0.0007","15.2867","0.0012","34.707","0.002","90","","97.585","0.002","90","","5356.1","0.6","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H69 Bi N2 O3 P2 Te -","- C60 H69 Bi N2 O3 P2 Te -","- C240 H276 Bi4 N8 O12 P8 Te4 -","4","1","","Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens","Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides.","Chemical science","2025","16","35","16232","16239","10.1039/d5sc03320a","","x-ray","0.71073","MoKα","","0.0393","0.034","","","0.07","0.0716","","","","","","1.133","","","","has coordinates,has disorder","302530","2025-10-06","07:50:56",""
"1575130","12.1739","0.0004","12.6388","0.0005","36.2781","0.0012","88.698","0.001","81.1","0.001","64.73","0.001","4981.1","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C56 H63 Cl Mg N2 O2 P2 -","- C56 H63 Cl Mg N2 O2 P2 -","- C224 H252 Cl4 Mg4 N8 O8 P8 -","4","2","","Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens","Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides.","Chemical science","2025","16","35","16232","16239","10.1039/d5sc03320a","","","0.71073","MoKα","","0.0621","0.0471","","","0.1215","0.1295","","","","","","1.058","","","","has coordinates,has disorder","302530","2025-10-06","07:50:57",""
"1575131","16.2659","0.0014","19.044","0.0015","16.1671","0.0014","90","","110.717","0.003","90","","4684.2","0.7","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48.5 H46 Bi Cl3 N2 P2 -","- C48 H45 Bi Cl2 N2 P2 -","- C192 H180 Bi4 Cl8 N8 P8 -","4","1","","Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens","Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides.","Chemical science","2025","16","35","16232","16239","10.1039/d5sc03320a","","","0.71073","MoKα","","0.0502","0.0336","","","0.0799","0.0863","","","","","","1.05","","","","has coordinates","302530","2025-10-06","07:50:58",""
"1575132","12.9688","0.0009","18.3595","0.0012","26.9379","0.0016","106.082","0.002","93.732","0.002","105.763","0.002","5862.5","0.7","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C57 H51 As3 Cl6 F3 N2 O P2 -","- C51 H47 As3 Cl6 F N2 O P2 -","- C204 H188 As12 Cl24 F4 N8 O4 P8 -","4","2","","Meyer, Fabio; Siumbeli, Arina; Dostál, Libor; Hupf, Emanuel; Beckmann, Jens","Nature of the heavy formal double bonds As[double bond, length as m-dash]Ch, Sb[double bond, length as m-dash]Ch and Bi[double bond, length as m-dash]Ch (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides.","Chemical science","2025","16","35","16232","16239","10.1039/d5sc03320a","","","0.71073","MoKα","","0.0837","0.0451","","","0.1023","0.115","","","","","","1.022","","","","has coordinates","302530","2025-10-06","07:50:58",""
"1575141","18.7562","0.001","10.3796","0.0006","34.981","0.002","90","","90","","90","","6810.2","0.7","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H38 O5 P2 Pd -","- C40 H38 O5 P2 Pd -","- C320 H304 O40 P16 Pd8 -","8","2","","Bouley, Bailey S.; Bae, Dae Young; Chakrabarti, Sagnik; Rosen, Mari; Kennedy, Robert D.; Mirica, Liviu M.","Insights into the mechanism of active catalyst generation for the Pd<sup>II</sup>(acac)<sub>2</sub>/PPh<sub>3</sub> system in the context of telomerization of 1,3-butadiene.","Chemical science","2025","16","34","15486","15498","10.1039/d5sc02171e","","","0.71073","MoKα","","0.1138","0.073","","","0.1588","0.1866","","","","","","1.042","","","","has coordinates","302549","2025-10-06","08:01:03",""
"1575142","10.9495","0.0004","15.9935","0.0006","16.2962","0.0006","90","","99.235","0.001","90","","2816.81","0.18","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H33 O6 P Pd -","- C30 H33 O6 P Pd -","- C120 H132 O24 P4 Pd4 -","4","1","","Bouley, Bailey S.; Bae, Dae Young; Chakrabarti, Sagnik; Rosen, Mari; Kennedy, Robert D.; Mirica, Liviu M.","Insights into the mechanism of active catalyst generation for the Pd<sup>II</sup>(acac)<sub>2</sub>/PPh<sub>3</sub> system in the context of telomerization of 1,3-butadiene.","Chemical science","2025","16","34","15486","15498","10.1039/d5sc02171e","","","0.71073","MoKα","","0.0483","0.0333","","","0.06","0.0664","","","","","","1.053","","","","has coordinates","302549","2025-10-06","08:01:04",""
"1575143","13.697","0.0003","9.2164","0.0002","18.8878","0.0004","90","","106.9","","90","","2281.37","0.09","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 O4 P Pd -","- C25 H25 O4 P Pd -","- C100 H100 O16 P4 Pd4 -","4","1","","Bouley, Bailey S.; Bae, Dae Young; Chakrabarti, Sagnik; Rosen, Mari; Kennedy, Robert D.; Mirica, Liviu M.","Insights into the mechanism of active catalyst generation for the Pd<sup>II</sup>(acac)<sub>2</sub>/PPh<sub>3</sub> system in the context of telomerization of 1,3-butadiene.","Chemical science","2025","16","34","15486","15498","10.1039/d5sc02171e","","","0.71073","MoKα","","0.0175","0.0166","","","0.0405","0.041","","","","","","1.068","","","","has coordinates","302549","2025-10-06","08:01:04",""
"1575144","7.281","0.0015","14.499","0.003","15.355","0.003","104.6","0.03","99.89","0.03","90.32","0.03","1543.3","0.6","130","","130","","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H30.5 Fe N12 O4.5 Pd -","- C27.5 H30.5 Fe N12 O4.5 Pd -","- C55 H61 Fe2 N24 O9 Pd2 -","2","1","","Chai, Yuqiao; Yang, Yu-Ting; Xue, Jin-Peng","Entanglement of spin transition and structural adaptability: manipulating the slow spin equilibrium by the guest-mediated fine-tuning of elastic frustration.","Chemical science","2025","16","34","15555","15563","10.1039/d5sc01202c","","","0.71073","MoKα","","0.0811","0.0745","","","0.2042","0.2148","","","","","","1.029","","","","has coordinates","302551","2025-10-06","08:01:31",""
"1575145","7.26","0.0015","14.476","0.003","15.344","0.003","104.57","0.03","99.87","0.03","90.32","0.03","1535.6","0.6","85","","85","","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H30.5 Fe N12 O4.5 Pd -","- C27.5 H30.5 Fe N12 O4.5 Pd -","- C55 H61 Fe2 N24 O9 Pd2 -","2","1","","Chai, Yuqiao; Yang, Yu-Ting; Xue, Jin-Peng","Entanglement of spin transition and structural adaptability: manipulating the slow spin equilibrium by the guest-mediated fine-tuning of elastic frustration.","Chemical science","2025","16","34","15555","15563","10.1039/d5sc01202c","","","0.71073","MoKα","","0.1558","0.1307","","","0.3327","0.3547","","","","","","1.37","","","","has coordinates","302551","2025-10-06","08:01:31",""
"1575146","7.278","0.0015","14.5","0.003","15.347","0.003","104.59","0.03","99.88","0.03","90.32","0.03","1542.1","0.6","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H30.5 Fe N12 O4.5 Pd -","- C27.5 H30.5 Fe N12 O4.5 Pd -","- C55 H61 Fe2 N24 O9 Pd2 -","2","1","","Chai, Yuqiao; Yang, Yu-Ting; Xue, Jin-Peng","Entanglement of spin transition and structural adaptability: manipulating the slow spin equilibrium by the guest-mediated fine-tuning of elastic frustration.","Chemical science","2025","16","34","15555","15563","10.1039/d5sc01202c","","","0.71073","MoKα","","0.0826","0.0761","","","0.2091","0.2183","","","","","","1.033","","","","has coordinates,has disorder","302551","2025-10-06","08:01:31",""
"1575147","7.277","0.0015","14.509","0.003","15.381","0.003","104.67","0.03","99.99","0.03","90.32","0.03","1545.1","0.6","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H30.5 Fe N12 O4.5 Pd -","- C27.5 H30.5 Fe N12 O4.5 Pd -","- C55 H61 Fe2 N24 O9 Pd2 -","2","1","","Chai, Yuqiao; Yang, Yu-Ting; Xue, Jin-Peng","Entanglement of spin transition and structural adaptability: manipulating the slow spin equilibrium by the guest-mediated fine-tuning of elastic frustration.","Chemical science","2025","16","34","15555","15563","10.1039/d5sc01202c","","","0.71073","MoKα","","0.0748","0.0699","","","0.194","0.2012","","","","","","1.038","","","","has coordinates","302551","2025-10-06","08:01:31",""
"1575148","7.288","0.0015","14.504","0.003","15.422","0.003","104.7","0.03","100.07","0.03","90.33","0.03","1550.4","0.6","190","","190","","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H30.5 Fe N12 O4.5 Pd -","- C27.5 H30.5 Fe N12 O4.5 Pd -","- C55 H61 Fe2 N24 O9 Pd2 -","2","1","","Chai, Yuqiao; Yang, Yu-Ting; Xue, Jin-Peng","Entanglement of spin transition and structural adaptability: manipulating the slow spin equilibrium by the guest-mediated fine-tuning of elastic frustration.","Chemical science","2025","16","34","15555","15563","10.1039/d5sc01202c","","","0.71073","MoKα","","0.0744","0.0692","","","0.1884","0.1962","","","","","","1.034","","","","has coordinates","302551","2025-10-06","08:01:31",""
"1575149","7.457","0.0015","14.711","0.003","15.442","0.003","104.49","0.03","99.92","0.03","90.28","0.03","1613.5","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H30.5 Fe N12 O4.5 Pd -","- C27.5 H30.5 Fe N12 O4.5 Pd -","- C55 H61 Fe2 N24 O9 Pd2 -","2","1","","Chai, Yuqiao; Yang, Yu-Ting; Xue, Jin-Peng","Entanglement of spin transition and structural adaptability: manipulating the slow spin equilibrium by the guest-mediated fine-tuning of elastic frustration.","Chemical science","2025","16","34","15555","15563","10.1039/d5sc01202c","","","0.71073","MoKα","","0.0739","0.0675","","","0.1885","0.1997","","","","","","1.07","","","","has coordinates","302551","2025-10-06","08:01:31",""
"1575150","8.071","0.002","16.12","0.004","26.964","0.008","90","","90","","90","","3508.1","1.6","143","2","143","2","","","","","","","","8","I b a m","-I 2 2c","72","","","","- C7.5 H8 Cu0.25 F1.5 N1.25 O2 P0 S0.5 -","- C7.5 H8 Cu0.25 F1.5 N1.25 O2 S0.5 -","- C120 H128 Cu4 F24 N20 O32 S8 -","16","1","","Zhang, Yuzhe; Higashino, Tomohiro; Namikawa, Keigo; Osterloh, W. Ryan; Imahori, Hiroshi","Molecular engineering of porphyrin dyes and copper complexes for enhanced dye regeneration toward high-performance dye-sensitized solar cells using copper(i/ii) redox shuttles.","Chemical science","2025","16","33","15004","15014","10.1039/d5sc03537f","","","0.71075","MoKα","","0.0597","0.0556","","","0.2083","0.2108","","","","","","1.056","","","","has coordinates,has disorder","302503","2025-10-06","07:41:22",""
"1575151","9.7349","0.0008","11.1899","0.001","15.3441","0.0012","73.793","0.008","74.976","0.007","88.82","0.007","1547.8","0.2","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H32 Cu F6 N4 O4 P -","- C28 H32 Cu F6 N4 O4 P -","- C56 H64 Cu2 F12 N8 O8 P2 -","2","1","","Zhang, Yuzhe; Higashino, Tomohiro; Namikawa, Keigo; Osterloh, W. Ryan; Imahori, Hiroshi","Molecular engineering of porphyrin dyes and copper complexes for enhanced dye regeneration toward high-performance dye-sensitized solar cells using copper(i/ii) redox shuttles.","Chemical science","2025","16","33","15004","15014","10.1039/d5sc03537f","","","0.71073","MoKα","","0.1736","0.1232","","","0.3634","0.3925","","","","","","1.093","","","","has coordinates,has disorder","302503","2025-10-06","07:41:22",""
"1575152","14.6532","0.0004","11.4428","0.0003","16.8771","0.0005","90","","95.086","0.003","90","","2818.7","0.14","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 B Cu F4 N4 O4 -","- C28 H32 B Cu F4 N4 O4 -","- C112 H128 B4 Cu4 F16 N16 O16 -","4","1","","Zhang, Yuzhe; Higashino, Tomohiro; Namikawa, Keigo; Osterloh, W. Ryan; Imahori, Hiroshi","Molecular engineering of porphyrin dyes and copper complexes for enhanced dye regeneration toward high-performance dye-sensitized solar cells using copper(i/ii) redox shuttles.","Chemical science","2025","16","33","15004","15014","10.1039/d5sc03537f","","","0.71073","MoKα","","0.0551","0.0453","","","0.1053","0.1104","","","","","","1.065","","","","has coordinates","302503","2025-10-06","07:41:22",""
"1575153","18.3443","0.0004","8.22852","0.00016","13.382","0.0003","90","","90.251","0.002","90","","2019.95","0.07","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H33 Ir Mo N3 -","- C16 H33 Ir Mo N3 -","- C64 H132 Ir4 Mo4 N12 -","4","1","","Dubrawski, Zachary; Del Rosal, Iker; Jeanneau, Erwann; Maron, Laurent; Thieuleux, Chloé; Camp, Clément","Synergistic C-H bond activation across molybdenum-iridium multiply bonded complexes: a cascade of transformations.","Chemical science","2025","16","32","14564","14577","10.1039/d5sc03465e","","x-ray","0.71073","MoKα","","0.0646","0.0495","","","0.1114","0.1181","","","","","","1.06","","","","has coordinates,has disorder","302493","2025-10-06","07:38:03",""
"1575154","10.3728","0.0002","11.1282","0.0002","11.9391","0.0002","86.479","0.001","80.478","0.001","80.646","0.001","1340.23","0.04","100.1","0.4","100.1","0.4","","","","","","","","5","P -1","-P 1","2","","","","- C24 H42 Ir2 Mo N2 -","- C24 H42 Ir2 Mo N2 -","- C48 H84 Ir4 Mo2 N4 -","2","1","","Dubrawski, Zachary; Del Rosal, Iker; Jeanneau, Erwann; Maron, Laurent; Thieuleux, Chloé; Camp, Clément","Synergistic C-H bond activation across molybdenum-iridium multiply bonded complexes: a cascade of transformations.","Chemical science","2025","16","32","14564","14577","10.1039/d5sc03465e","","x-ray","0.71073","MoKα","","0.0445","0.0409","","","0.1095","0.1113","","","","","","1.029","","","","has coordinates","302493","2025-10-06","07:38:04",""
"1575155","10.4733","0.0002","14.127","0.0003","15.97","0.0003","90","","104.7","0.002","90","","2285.52","0.08","100.02","0.16","100.02","0.16","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H33 Ir Mo N3 O -","- C19 H33 Ir Mo N3 O -","- C76 H132 Ir4 Mo4 N12 O4 -","4","1","","Dubrawski, Zachary; Del Rosal, Iker; Jeanneau, Erwann; Maron, Laurent; Thieuleux, Chloé; Camp, Clément","Synergistic C-H bond activation across molybdenum-iridium multiply bonded complexes: a cascade of transformations.","Chemical science","2025","16","32","14564","14577","10.1039/d5sc03465e","","x-ray","0.71073","MoKα","","0.0442","0.0337","","","0.0828","0.088","","","","","","1.038","","","","has coordinates","302493","2025-10-06","07:38:04",""
"1575156","10.568","0.0002","14.3581","0.0002","17.6451","0.0002","100.148","0.001","101.617","0.001","98.071","0.001","2538.22","0.07","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C21 H42 Ir Mo N4 O -","- C21 H42 Ir Mo N4 O -","- C84 H168 Ir4 Mo4 N16 O4 -","4","2","","Dubrawski, Zachary; Del Rosal, Iker; Jeanneau, Erwann; Maron, Laurent; Thieuleux, Chloé; Camp, Clément","Synergistic C-H bond activation across molybdenum-iridium multiply bonded complexes: a cascade of transformations.","Chemical science","2025","16","32","14564","14577","10.1039/d5sc03465e","","x-ray","0.71073","MoKα","","0.0293","0.0265","","","0.0626","0.0635","","","","","","1.029","","","","has coordinates,has disorder","302493","2025-10-06","07:38:04",""
"1575157","9.9756","0.0003","11.6881","0.0003","15.1321","0.0004","90","","90","","90","","1764.34","0.08","100","0.3","100","0.3","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H16 N2 O -","- C7 H16 N2 O -","- C56 H128 N16 O8 -","8","1","","Dubrawski, Zachary; Del Rosal, Iker; Jeanneau, Erwann; Maron, Laurent; Thieuleux, Chloé; Camp, Clément","Synergistic C-H bond activation across molybdenum-iridium multiply bonded complexes: a cascade of transformations.","Chemical science","2025","16","32","14564","14577","10.1039/d5sc03465e","","x-ray","1.54184","CuKα","","0.0522","0.0418","","","0.103","0.1086","","","","","","1.081","","","","has coordinates","302493","2025-10-06","07:38:04",""
"1575158","10.9967","0.0002","10.9728","0.0002","12.1515","0.0002","90","","90.354","0.002","90","","1466.23","0.04","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C26 H42 Ir2 Mo N2 O4 -","- C26 H42 Ir2 Mo N2 O4 -","- C52 H84 Ir4 Mo2 N4 O8 -","2","0.5","","Dubrawski, Zachary; Del Rosal, Iker; Jeanneau, Erwann; Maron, Laurent; Thieuleux, Chloé; Camp, Clément","Synergistic C-H bond activation across molybdenum-iridium multiply bonded complexes: a cascade of transformations.","Chemical science","2025","16","32","14564","14577","10.1039/d5sc03465e","","x-ray","0.71073","MoKα","","0.0448","0.0352","","","0.0638","0.0668","","","","","","1.028","","","","has coordinates,has disorder","302493","2025-10-06","07:38:04",""
"1575159","10.3416","0.0002","18.4312","0.0004","14.9177","0.0003","90","","104.443","0.002","90","","2753.57","0.1","100","0.4","100","0.4","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H45 Ir Mo N4 O2 -","- C24 H45 Ir Mo N4 O2 -","- C96 H180 Ir4 Mo4 N16 O8 -","4","1","","Dubrawski, Zachary; Del Rosal, Iker; Jeanneau, Erwann; Maron, Laurent; Thieuleux, Chloé; Camp, Clément","Synergistic C-H bond activation across molybdenum-iridium multiply bonded complexes: a cascade of transformations.","Chemical science","2025","16","32","14564","14577","10.1039/d5sc03465e","","x-ray","0.71073","MoKα","","0.0617","0.052","","","0.0988","0.101","","","","","","1.253","","","","has coordinates","302493","2025-10-06","07:38:04",""
"1575160","5.8212","0.0002","14.194","0.0004","14.7214","0.0005","69.915","0.003","81.048","0.002","86.989","0.002","1128.48","0.07","149.97","0.1","149.97","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 Br N O -","- C28 H22 Br N O -","- C56 H44 Br2 N2 O2 -","2","1","","Liu, Tu-Ming; Zhu, Lin-Yuan; Qi, Min-Hao; Li, Si-Jia; Wang, Xiao-Jian; Xu, Jia-Rui; Han, Bing","Photosensitized diradical rearrangement of alkenyl oxime ethers towards amino-featured oxiranes: reaction, mechanism, and structural prediction.","Chemical science","2025","16","32","14811","14821","10.1039/d5sc03379a","","x-ray","1.54184","CuKα","","0.0492","0.0433","","","0.1222","0.1255","","","","","","1.029","","","","has coordinates","302491","2025-10-06","07:37:33",""
"1575161","6.6576","0.0002","18.5752","0.0005","9.4128","0.0002","90","","100.585","0.001","90","","1144.24","0.05","301","","301","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N3 O12 -","- C7 H7 N3 O12 -","- C28 H28 N12 O48 -","4","1","","Li, Huan; Zhou, Qi; Hou, Tianjiao; Yi, Zhenxin; Wang, Guixiang; Zhu, Long; Gao, Yuan; Zhang, Yu; Luo, Jun","Impact of stereochemistry in 3D energetic materials science: a case based on peripheral editing of the 2,4,10-trioxaadamantane backbone.","Chemical science","2025","16","34","15587","15596","10.1039/d5sc02800k","","","0.71073","MoKα","","0.0451","0.0337","","","0.0848","0.0979","","","","","","1.0715","","","","has coordinates","302548","2025-10-06","08:00:45",""
"1575162","8.73","0.007","8.696","0.007","15.978","0.013","90","","101.351","0.009","90","","1189.3","1.7","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N3 O12 -","- C7 H7 N3 O12 -","- C28 H28 N12 O48 -","4","1","","Li, Huan; Zhou, Qi; Hou, Tianjiao; Yi, Zhenxin; Wang, Guixiang; Zhu, Long; Gao, Yuan; Zhang, Yu; Luo, Jun","Impact of stereochemistry in 3D energetic materials science: a case based on peripheral editing of the 2,4,10-trioxaadamantane backbone.","Chemical science","2025","16","34","15587","15596","10.1039/d5sc02800k","","","0.71073","MoKα","","0.0411","0.0352","","","0.0903","0.0946","","","","","","1.05","","","","has coordinates","302548","2025-10-06","08:00:46",""
"1575163","6.0238","0.0003","8.8265","0.0004","12.058","0.0007","69.746","0.002","89.688","0.002","72.481","0.002","570.07","0.05","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C7 H7 N3 O12 -","- C7 H7 N3 O12 -","- C14 H14 N6 O24 -","2","1","","Li, Huan; Zhou, Qi; Hou, Tianjiao; Yi, Zhenxin; Wang, Guixiang; Zhu, Long; Gao, Yuan; Zhang, Yu; Luo, Jun","Impact of stereochemistry in 3D energetic materials science: a case based on peripheral editing of the 2,4,10-trioxaadamantane backbone.","Chemical science","2025","16","34","15587","15596","10.1039/d5sc02800k","","","0.71073","MoKα","","0.0374","0.0345","","","0.09","0.0927","","","","","","1.034","","","","has coordinates","302548","2025-10-06","08:00:46",""
"1575164","15.062","0.005","5.9269","0.0016","14.178","0.004","90","","113.806","0.01","90","","1158","0.6","293.15","","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N3 O12 -","- C7 H7 N3 O12 -","- C28 H28 N12 O48 -","4","1","","Li, Huan; Zhou, Qi; Hou, Tianjiao; Yi, Zhenxin; Wang, Guixiang; Zhu, Long; Gao, Yuan; Zhang, Yu; Luo, Jun","Impact of stereochemistry in 3D energetic materials science: a case based on peripheral editing of the 2,4,10-trioxaadamantane backbone.","Chemical science","2025","16","34","15587","15596","10.1039/d5sc02800k","","","0.71073","MoKα","","0.1008","0.0594","","","0.1104","0.1294","","","","","","1.103","","","","has coordinates","302548","2025-10-06","08:00:46",""
"1575165","8.3535","0.0004","9.1128","0.0005","15.6114","0.0008","90","","90","","90","","1188.4","0.11","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H6 N4 O13 -","- C7 H6 N4 O13 -","- C28 H24 N16 O52 -","4","1","","Li, Huan; Zhou, Qi; Hou, Tianjiao; Yi, Zhenxin; Wang, Guixiang; Zhu, Long; Gao, Yuan; Zhang, Yu; Luo, Jun","Impact of stereochemistry in 3D energetic materials science: a case based on peripheral editing of the 2,4,10-trioxaadamantane backbone.","Chemical science","2025","16","34","15587","15596","10.1039/d5sc02800k","","","0.71073","MoKα","","0.0312","0.0267","","","0.0655","0.0668","","","","","","1.059","","","","has coordinates","302548","2025-10-06","08:00:46",""
"1575166","7.1632","0.0009","12.3721","0.0013","13.9868","0.0018","90","","92.234","0.005","90","","1238.6","0.3","294.8","","294.8","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N4 O13 -","- C7 H6 N4 O13 -","- C28 H24 N16 O52 -","4","1","","Li, Huan; Zhou, Qi; Hou, Tianjiao; Yi, Zhenxin; Wang, Guixiang; Zhu, Long; Gao, Yuan; Zhang, Yu; Luo, Jun","Impact of stereochemistry in 3D energetic materials science: a case based on peripheral editing of the 2,4,10-trioxaadamantane backbone.","Chemical science","2025","16","34","15587","15596","10.1039/d5sc02800k","","","0.71073","MoKα","","0.0491","0.0381","","","0.0906","0.0981","","","","","","1.04","","","","has coordinates","302548","2025-10-06","08:00:46",""
"1575167","8.5994","0.0004","7.2097","0.0003","20.1577","0.0009","90","","92.167","0.001","90","","1248.87","0.1","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 N4 O13 -","- C7 H6 N4 O13 -","- C28 H24 N16 O52 -","4","1","","Li, Huan; Zhou, Qi; Hou, Tianjiao; Yi, Zhenxin; Wang, Guixiang; Zhu, Long; Gao, Yuan; Zhang, Yu; Luo, Jun","Impact of stereochemistry in 3D energetic materials science: a case based on peripheral editing of the 2,4,10-trioxaadamantane backbone.","Chemical science","2025","16","34","15587","15596","10.1039/d5sc02800k","","","0.71073","MoKα","","0.0628","0.0408","","","0.0879","0.0982","","","","","","1.062","","","","has coordinates","302548","2025-10-06","08:00:46",""
"1575168","6.4181","0.0001","14.161","0.0003","13.2275","0.0003","90","","101.423","0.002","90","","1178.39","0.04","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N5 -","- C13 H13 N5 -","- C52 H52 N20 -","4","1","","Yu, Xuanchi; Zhang, Chenyu; Dong, Dongfang; Liu, Bing; Wang, Dali; Li, Tao","Visible-light-responsive indoleazopyrazole photoswitches: dual enhancement of redshift and half-life by ester modification at the <i>ortho</i> position.","Chemical science","2025","16","34","15620","15627","10.1039/d5sc03275j","","","1.54184","CuKα","","0.049","0.0436","","","0.1249","0.1286","","","","","","1.091","","","","has coordinates","302542","2025-10-06","07:58:16",""
"1575169","5.6017","0.0001","8.7826","0.0002","23.5685","0.0005","90","","90","","90","","1159.51","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N5 -","- C13 H13 N5 -","- C52 H52 N20 -","4","1","","Yu, Xuanchi; Zhang, Chenyu; Dong, Dongfang; Liu, Bing; Wang, Dali; Li, Tao","Visible-light-responsive indoleazopyrazole photoswitches: dual enhancement of redshift and half-life by ester modification at the <i>ortho</i> position.","Chemical science","2025","16","34","15620","15627","10.1039/d5sc03275j","","","1.54184","CuKα","","0.0407","0.0379","","","0.1021","0.1039","","","","","","1.071","","","","has coordinates","302542","2025-10-06","07:58:16",""
"1575170","7.0795","0.0001","13.8474","0.0003","12.6001","0.0003","90","","101.205","0.002","90","","1211.68","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H13 N5 -","- C13 H13 N5 -","- C52 H52 N20 -","4","2","","Yu, Xuanchi; Zhang, Chenyu; Dong, Dongfang; Liu, Bing; Wang, Dali; Li, Tao","Visible-light-responsive indoleazopyrazole photoswitches: dual enhancement of redshift and half-life by ester modification at the <i>ortho</i> position.","Chemical science","2025","16","34","15620","15627","10.1039/d5sc03275j","","","1.54184","CuKα","","0.0458","0.0423","","","0.1002","0.1025","","","","","","0.859","","","","has coordinates","302542","2025-10-06","07:58:16",""
"1575171","6.3008","0.0001","7.7125","0.0002","15.2437","0.0003","88.117","0.002","80.529","0.002","83.044","0.002","725.23","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N5 O2 -","- C15 H15 N5 O2 -","- C30 H30 N10 O4 -","2","1","","Yu, Xuanchi; Zhang, Chenyu; Dong, Dongfang; Liu, Bing; Wang, Dali; Li, Tao","Visible-light-responsive indoleazopyrazole photoswitches: dual enhancement of redshift and half-life by ester modification at the <i>ortho</i> position.","Chemical science","2025","16","34","15620","15627","10.1039/d5sc03275j","","","1.54184","CuKα","","0.033","0.0321","","","0.0844","0.0852","","","","","","1.044","","","","has coordinates","302542","2025-10-06","07:58:16",""
"1575172","8.1945","0.0002","16.3667","0.0003","10.3703","0.0002","90","","92.658","0.002","90","","1389.34","0.05","122.99","0.1","122.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-methyl-N,N-diphenylpyridin-4-amine","","- C18 H16 N2 -","- C18 H16 N2 -","- C72 H64 N8 -","4","1","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","x-ray","1.54184","CuKα","","0.0493","0.0445","","","0.1175","0.1218","","","","","","1.077","","","","has coordinates","302546","2025-10-06","07:59:38",""
"1575173","9.977","0.0001","8.3959","0.0001","13.3658","0.0002","90","","92.807","0.001","90","","1118.25","0.02","123","0.1","123","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(3,5-dimethylpyridin-1-ium-1-yl)-4,4,5,5-tetrafluoro-3-oxocyclopent-1-en-1-olate","","- C12 H9 F4 N O2 -","- C12 H9 F4 N O2 -","- C48 H36 F16 N4 O8 -","4","1","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","x-ray","1.54184","CuKα","","0.0539","0.0528","","","0.1482","0.1492","","","","","","1.057","","","","has coordinates","302546","2025-10-06","07:59:39",""
"1575174","15.31","0.18","7.35","0.08","17.3","0.09","90","","98.5","0.2","90","","1925","3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(4-(diphenylamino)-3-methylpyridin-1-ium-1-yl)-4,4,5,5-tetrafluoro-3-oxocyclopent-1-en-1-olate","","- C23 H16 F4 N2 O2 -","- C23 H16 F4 N2 O2 -","- C92 H64 F16 N8 O8 -","4","1","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","","0.0251","","","0.1763","0.1372","","","0.2986","0.3134","","","","","","1.199","","","","has coordinates","302546","2025-10-06","07:59:39",""
"1575175","15.5","0.2","7.4","0.13","17.33","0.11","90","","97.8","0.3","90","","1969","4","294","","294","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(4-(diphenylamino)-3-methylpyridin-1-ium-1-yl)-4,4,5,5-tetrafluoro-3-oxocyclopent-1-en-1-olate","","- C23 H16 F4 N2 O2 -","- C23 H16 F4 N2 O2 -","- C92 H64 F16 N8 O8 -","4","1","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","","0.0251","","","0.1832","0.1347","","","0.3165","0.3409","","","","","","1.089","","","","has coordinates","302546","2025-10-06","07:59:39",""
"1575176","11.0644","0.0002","15.0753","0.0004","16.1709","0.0004","89.004","0.002","81.638","0.002","89.699","0.002","2668.2","0.11","292.45","0.1","292.45","0.1","","","","","","","","5","P -1","-P 1","2","","2-(4-(9H-carbazol-9-yl)pyridin-1-ium-1-yl)-4,4,5,5-tetrafluoro-3-oxocyclopent-1-en-1-olate","","- C66 H36 F12 N6 O6 -","- C66 H36 F12 N6 O6 -","- C132 H72 F24 N12 O12 -","2","1","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","x-ray","1.54184","CuKα","","0.0632","0.0488","","","0.1269","0.135","","","","","","1.065","","","","has coordinates,has disorder","302546","2025-10-06","07:59:39",""
"1575177","10.8897","0.0002","15.0104","0.0002","16.1121","0.0002","89.101","0.001","81.495","0.001","88.995","0.001","2604.07","0.07","122.99","0.1","122.99","0.1","","","","","","","","5","P -1","-P 1","2","","2-(4-(9H-carbazol-9-yl)pyridin-1-ium-1-yl)-4,4,5,5-tetrafluoro-3-oxocyclopent-1-en-1-olate","","- C66 H36 F12 N6 O6 -","- C66 H36 F12 N6 O6 -","- C132 H72 F24 N12 O12 -","2","1","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","x-ray","1.54184","CuKα","","0.057","0.0494","","","0.1122","0.1168","","","","","","1.032","","","","has coordinates,has disorder","302546","2025-10-06","07:59:39",""
"1575178","15.3845","0.0004","7.331","0.00015","17.2664","0.0003","90","","97.766","0.002","90","","1929.51","0.07","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(4-(diphenylamino)-3-methylpyridin-1-ium-1-yl)-4,4,5,5-tetrafluoro-3-oxocyclopent-1-en-1-olate","","- C23 H16 F4 N2 O2 -","- C23 H16 F4 N2 O2 -","- C92 H64 F16 N8 O8 -","4","1","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","x-ray","1.54184","CuKα","","0.0633","0.0525","","","0.1384","0.1502","","","","","","1.113","","","","has coordinates","302546","2025-10-06","07:59:39",""
"1575179","11.3122","0.0002","10.4156","0.0001","18.078","0.0002","90","","99.131","0.001","90","","2103.02","0.05","123","0.1","123","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(diphenylamino)-2,6-dimethylpyridin-1-ium 2,4,4,5,5-pentafluoro-3-oxocyclopent-1-en-1-olate","","- C24 H19 F5 N2 O2 -","- C24 H19 F5 N2 O2 -","- C96 H76 F20 N8 O8 -","4","1","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","x-ray","1.54184","CuKα","","0.0361","0.0337","","","0.0837","0.0855","","","","","","1.039","","","","has coordinates","302546","2025-10-06","07:59:39",""
"1575180","15.1449","0.0002","7.3085","0.0001","17.1746","0.0002","90","","98.376","0.001","90","","1880.72","0.04","122.99","0.1","122.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(4-(diphenylamino)-3-methylpyridin-1-ium-1-yl)-4,4,5,5-tetrafluoro-3-oxocyclopent-1-en-1-olate","","- C23 H16 F4 N2 O2 -","- C23 H16 F4 N2 O2 -","- C92 H64 F16 N8 O8 -","4","1","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","x-ray","1.54184","CuKα","","0.0419","0.0393","","","0.0945","0.0965","","","","","","1.069","","","","has coordinates","302546","2025-10-06","07:59:39",""
"1575181","11.7285","0.0003","17.8213","0.0004","10.0082","0.0002","90","","95.225","0.002","90","","2083.19","0.08","292.36","0.1","292.36","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-(diphenylamino)-3,5-dimethylpyridin-1-ium-1-yl)-4,4,5,5-tetrafluoro-3-oxocyclopent-1-en-1-olate","","- C24 H18 F4 N2 O2 -","- C24 H18 F4 N2 O2 -","- C96 H72 F16 N8 O8 -","4","1","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","x-ray","1.54184","CuKα","","0.0486","0.0406","","","0.1123","0.1197","","","","","","1.053","","","","has coordinates,has disorder","302546","2025-10-06","07:59:39",""
"1575182","8.5533","0.00004","12.55218","0.00007","23.37782","0.00014","90","","90","","90","","2509.9","0.02","123","0.1","123","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9-(pyridin-4-yl)-9H-carbazole","","- C17 H12 N2 -","- C17 H12 N2 -","- C136 H96 N16 -","8","2","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","x-ray","1.54184","CuKα","","0.0297","0.0291","","","0.0729","0.0734","","","","","","1.073","","","","has coordinates","302546","2025-10-06","07:59:39",""
"1575183","11.6008","0.0001","17.7066","0.0002","9.8638","0.0001","90","","95.439","0.001","90","","2017.01","0.04","123.03","0.1","123.03","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-(diphenylamino)-3,5-dimethylpyridin-1-ium-1-yl)-4,4,5,5-tetrafluoro-3-oxocyclopent-1-en-1-olate","","- C24 H18 F4 N2 O2 -","- C24 H18 F4 N2 O2 -","- C96 H72 F16 N8 O8 -","4","1","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","x-ray","1.54184","CuKα","","0.0525","0.0468","","","0.1255","0.13","","","","","","1.035","","","","has coordinates","302546","2025-10-06","07:59:39",""
"1575184","8.0182","0.0002","17.9791","0.0005","10.2551","0.0002","90","","93.387","0.002","90","","1475.79","0.06","123","0.1","123","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,6-dimethyl-N,N-diphenylpyridin-4-amine","","- C19 H18 N2 -","- C19 H18 N2 -","- C76 H72 N8 -","4","1","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","x-ray","1.54184","CuKα","","0.047","0.0414","","","0.1075","0.1128","","","","","","1.066","","","","has coordinates","302546","2025-10-06","07:59:39",""
"1575185","9.1685","0.0002","9.4713","0.0002","19.6236","0.0004","87.73","0.002","85.797","0.002","62.356","0.002","1505.45","0.06","123","0.1","123","0.1","","","","","","","","3","P -1","-P 1","2","","3,5-dimethyl-N,N-diphenylpyridin-4-amine","","- C19 H18 N2 -","- C19 H18 N2 -","- C76 H72 N8 -","4","2","","McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris","Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.","Chemical science","2025","16","34","15320","15332","10.1039/d5sc04257g","","x-ray","1.54184","CuKα","","0.0443","0.0395","","","0.0995","0.1015","","","","","","1.126","","","","has coordinates","302546","2025-10-06","07:59:39",""
"1575186","49.038","0.007","49.038","0.007","16.641","0.003","90","","90","","120","","34656","9","293","2","293","2","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C108 H80 O32 Zr6 -","- C108 H80 O32 Zr6 -","- C324 H240 O96 Zr18 -","3","0.125","","Liu, Yi-Fan; He, Huihui; Gao, Lei; Liang, Rong-Ran; Li, Ji; Huang, Jinyi; Yin, Ya; Meng, Yuxuan; Zhong, Yuxiu; Luo, Rengan; Zhang, Liang-Liang; Zhou, Hong-Cai; Yuan, Shuai","Chemical and mechanical modifications of flexible metal-organic frameworks for enhancing photocatalysis.","Chemical science","2025","16","33","14995","15003","10.1039/d5sc02797g","","","0.71073","MoKα","","0.1707","0.1138","","","0.2915","0.3556","","","","","","1.061","","","","has coordinates,has disorder","302498","2025-10-06","07:39:48",""
"1575187","50.076","0.005","50.076","0.005","15.169","0.003","90","","90","","120","","32942","8","293","2","293","2","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C108 H64 O32 Zr6 -","- C108 H64 O32 Zr6 -","- C324 H192 O96 Zr18 -","3","0.125","","Liu, Yi-Fan; He, Huihui; Gao, Lei; Liang, Rong-Ran; Li, Ji; Huang, Jinyi; Yin, Ya; Meng, Yuxuan; Zhong, Yuxiu; Luo, Rengan; Zhang, Liang-Liang; Zhou, Hong-Cai; Yuan, Shuai","Chemical and mechanical modifications of flexible metal-organic frameworks for enhancing photocatalysis.","Chemical science","2025","16","33","14995","15003","10.1039/d5sc02797g","","","0.71073","MoKα","","0.1087","0.0799","","","0.1938","0.2091","","","","","","1.043","","","","has coordinates,has disorder","302498","2025-10-06","07:39:48",""
"1575188","50.274","0.004","50.274","0.004","15.6837","0.0011","90","","90","","120","","34329","5","296","2","296.15","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C108 H76 O32 Zr6 -","- C108 H76 O32 Zr6 -","- C324 H228 O96 Zr18 -","3","0.125","","Liu, Yi-Fan; He, Huihui; Gao, Lei; Liang, Rong-Ran; Li, Ji; Huang, Jinyi; Yin, Ya; Meng, Yuxuan; Zhong, Yuxiu; Luo, Rengan; Zhang, Liang-Liang; Zhou, Hong-Cai; Yuan, Shuai","Chemical and mechanical modifications of flexible metal-organic frameworks for enhancing photocatalysis.","Chemical science","2025","16","33","14995","15003","10.1039/d5sc02797g","","","0.71073","MoKα","","0.1228","0.0617","","","0.1513","0.1797","","","","","","0.947","","","","has coordinates,has disorder","302498","2025-10-06","07:39:48",""
"1575189","50.711","0.004","50.711","0.004","15.1298","0.0011","90","","90","","120","","33695","4","193","2","193","2","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C108 H80 O32 Zr6 -","- C108 H80 O32 Zr6 -","- C324 H240 O96 Zr18 -","3","0.125","","Liu, Yi-Fan; He, Huihui; Gao, Lei; Liang, Rong-Ran; Li, Ji; Huang, Jinyi; Yin, Ya; Meng, Yuxuan; Zhong, Yuxiu; Luo, Rengan; Zhang, Liang-Liang; Zhou, Hong-Cai; Yuan, Shuai","Chemical and mechanical modifications of flexible metal-organic frameworks for enhancing photocatalysis.","Chemical science","2025","16","33","14995","15003","10.1039/d5sc02797g","","","0.71073","MoKα","","0.1841","0.1447","","","0.2524","0.266","","","","","","1.097","","","","has coordinates,has disorder","302498","2025-10-06","07:39:48",""
"1575192","19.2091","0.0006","8.9415","0.0003","8.2849","0.0002","90","","94.122","0.001","90","","1419.32","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 I4 N2 Pb -","- C24 H24 I4 N2 Pb -","- C48 H48 I8 N4 Pb2 -","2","0.5","","Zugasti-Fernández, Dulce; Román-Román, Priscila I; Gutierrez-Avila, Mara; Gómora-Figueroa, A Paulina; Hernández-Cordero, Juan; Jancik, Vojtech; Hernández-Como, Norberto; Solis-Ibarra, Diego","Air-processed, ultraresponsive NIR photodetectors using 2D perovskite hybrids.","Chemical science","2025","16","34","15597","15601","10.1039/d5sc02348c","","","0.71073","MoKα","","0.0133","0.0131","","","0.0302","0.0303","","","","","","1.206","","","","has coordinates","302545","2025-10-06","07:59:12",""
"1575193","8.481","0.0003","11.5996","0.0002","11.9086","0.0003","111.195","0.002","96.371","0.002","107.702","0.002","1007.86","0.05","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H12 O6 S3 -","- C24 H12 O6 S3 -","- C48 H24 O12 S6 -","2","1","","Cui, Hao; Chen, Xiang; She, Xiong; Su, Wen-Xin; Chen, Shi-Chao; Zhang, Xiao","A pair of strongly reductive and oxidative photocatalysts for the general upcycling of biomass derivatives and plastic wastes.","Chemical science","2025","16","35","16070","16080","10.1039/d5sc03457d","","","1.54184","CuKα","","0.0395","0.037","","","0.101","0.1034","","","","","","1.081","","","","has coordinates","302529","2025-10-06","07:50:16",""
"1575194","14.4269","0.0008","18.7578","0.001","10.6226","0.0005","90","","108.077","0.006","90","","2732.8","0.3","299.79","0.1","299.79","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 N O8 S3 -","- C29 H21 N O8 S3 -","- C116 H84 N4 O32 S12 -","4","1","","Cui, Hao; Chen, Xiang; She, Xiong; Su, Wen-Xin; Chen, Shi-Chao; Zhang, Xiao","A pair of strongly reductive and oxidative photocatalysts for the general upcycling of biomass derivatives and plastic wastes.","Chemical science","2025","16","35","16070","16080","10.1039/d5sc03457d","","x-ray","1.54184","CuKα","","0.1046","0.0779","","","0.1993","0.2163","","","","","","1.078","","","","has coordinates","302529","2025-10-06","07:50:16",""
"1575195","9.61","0.003","10.687","0.004","20.153","0.007","90","","90","","90","","2069.8","1.2","296","2","296","2","","","","","","","","6","I m m m","-I 2 2","71","","","","- C72 H100 Cu4 I0 N4 O24 -","- C72 H100 Cu4 N4 O24 -","- C72 H100 Cu4 N4 O24 -","1","0.0625","","Xiao, Zongjing; Li, Pengfei; Sun, Beibei; Bao, Xinrui; Gan, Lei; Yang, Huajun","Water-mediated synthesis of hydrogen-bonded metal-organic frameworks.","Chemical science","2025","16","33","14919","14923","10.1039/d5sc02337h","","","0.71073","MoKα","","0.0228","0.0211","","","0.0597","0.0613","","","","","","1.015","","","","has coordinates,has disorder","302502","2025-10-06","07:41:00",""
"1575196","9.339","0.002","10.761","0.003","20.275","0.005","90","","90","","90","","2037.6","0.9","296","2","296","2","","","","","","","","6","I m m m","-I 2 2","71","","","","- C36 H50 I0 N2 Ni2 O12 -","- C36 H50 N2 Ni2 O12 -","- C72 H100 N4 Ni4 O24 -","2","0.125","","Xiao, Zongjing; Li, Pengfei; Sun, Beibei; Bao, Xinrui; Gan, Lei; Yang, Huajun","Water-mediated synthesis of hydrogen-bonded metal-organic frameworks.","Chemical science","2025","16","33","14919","14923","10.1039/d5sc02337h","","","0.71073","MoKα","","0.0263","0.0225","","","0.0581","0.0604","","","","","","0.949","","","","has coordinates,has disorder","302502","2025-10-06","07:41:02",""
"1575197","17.7985","0.0006","17.8628","0.0008","19.3154","0.0006","90","","90","","90","","6141","0.4","150","","150","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C49 H107 Ce I Li N4 O4 Si3 -","- C49 H107 Ce I Li N4 O4 Si3 -","- C196 H428 Ce4 I4 Li4 N16 O16 Si12 -","4","1","","Combourieu, Adrien; Christodoulou, Stella; Maron, Laurent; Assendjee, Eachann; Casaretto, Nicolas; Phung, Bich Tuyen; Banyasz, Akos; Maury, Olivier; Gregson, Matthew; Wooles, Ashley J.; Liddle, Stephen T.; Tard, Cédric; Nocton, Grégory; Danoun, Grégory","Visible light activation of C-Cl and C-F bonds in persistent organic pollutants using cerium(iii) triamidoamine complex.","Chemical science","2025","16","34","15510","15517","10.1039/d5sc03626g","","x-ray","0.71073","MoKα","","0.0417","0.0331","","","0.0849","0.0888","","","","","","1.085","","","","has coordinates,has disorder","302552","2025-10-06","08:01:58",""
"1575198","15.5528","0.0012","19.1984","0.0009","19.4099","0.001","90","","91.1","0.006","90","","5794.5","0.6","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C45 H99 Ce I Li N4 O3 Si3 -","- C45 H99 Ce I Li N4 O3 Si3 -","- C180 H396 Ce4 I4 Li4 N16 O12 Si12 -","4","1","","Combourieu, Adrien; Christodoulou, Stella; Maron, Laurent; Assendjee, Eachann; Casaretto, Nicolas; Phung, Bich Tuyen; Banyasz, Akos; Maury, Olivier; Gregson, Matthew; Wooles, Ashley J.; Liddle, Stephen T.; Tard, Cédric; Nocton, Grégory; Danoun, Grégory","Visible light activation of C-Cl and C-F bonds in persistent organic pollutants using cerium(iii) triamidoamine complex.","Chemical science","2025","16","34","15510","15517","10.1039/d5sc03626g","","x-ray","0.71073","MoKα","","0.0846","0.0466","","","0.0868","0.1006","","","","","","1.024","","","","has coordinates","302552","2025-10-06","08:01:59",""
"1575199","13.0115","0.001","15.7902","0.0009","20.3365","0.0017","90","","90.712","0.007","90","","4177.9","0.5","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H75 Br Ce N4 Si3 -","- C33 H75 Br Ce N4 Si3 -","- C132 H300 Br4 Ce4 N16 Si12 -","4","1","","Combourieu, Adrien; Christodoulou, Stella; Maron, Laurent; Assendjee, Eachann; Casaretto, Nicolas; Phung, Bich Tuyen; Banyasz, Akos; Maury, Olivier; Gregson, Matthew; Wooles, Ashley J.; Liddle, Stephen T.; Tard, Cédric; Nocton, Grégory; Danoun, Grégory","Visible light activation of C-Cl and C-F bonds in persistent organic pollutants using cerium(iii) triamidoamine complex.","Chemical science","2025","16","34","15510","15517","10.1039/d5sc03626g","","","0.71073","MoKα","","0.0434","0.0281","","","0.0628","0.0681","","","","","","1.064","","","","has coordinates","302552","2025-10-06","08:01:59",""
"1575200","9.499","0.0008","22.531","0.002","19.0088","0.0017","90","","91.907","0.003","90","","4066","0.6","150.01","","150.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H75 Ce N4 Si3 -","- C33 H75 Ce N4 Si3 -","- C132 H300 Ce4 N16 Si12 -","4","1","","Combourieu, Adrien; Christodoulou, Stella; Maron, Laurent; Assendjee, Eachann; Casaretto, Nicolas; Phung, Bich Tuyen; Banyasz, Akos; Maury, Olivier; Gregson, Matthew; Wooles, Ashley J.; Liddle, Stephen T.; Tard, Cédric; Nocton, Grégory; Danoun, Grégory","Visible light activation of C-Cl and C-F bonds in persistent organic pollutants using cerium(iii) triamidoamine complex.","Chemical science","2025","16","34","15510","15517","10.1039/d5sc03626g","","","0.71073","MoKα","","0.0552","0.0348","","","0.0706","0.075","","","","","","0.925","","","","has coordinates","302552","2025-10-06","08:01:59",""
"1575201","12.9683","0.0008","15.5387","0.0009","20.3785","0.0012","90","","90.572","0.005","90","","4106.3","0.4","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H75 Ce Cl N4 Si3 -","- C33 H75 Ce Cl N4 Si3 -","- C132 H300 Ce4 Cl4 N16 Si12 -","4","1","","Combourieu, Adrien; Christodoulou, Stella; Maron, Laurent; Assendjee, Eachann; Casaretto, Nicolas; Phung, Bich Tuyen; Banyasz, Akos; Maury, Olivier; Gregson, Matthew; Wooles, Ashley J.; Liddle, Stephen T.; Tard, Cédric; Nocton, Grégory; Danoun, Grégory","Visible light activation of C-Cl and C-F bonds in persistent organic pollutants using cerium(iii) triamidoamine complex.","Chemical science","2025","16","34","15510","15517","10.1039/d5sc03626g","","x-ray","0.71073","MoKα","","0.0806","0.0378","","","0.0666","0.0737","","","","","","0.91","","","","has coordinates","302552","2025-10-06","08:01:59",""
"1575202","20.3562","0.001","19.958","0.0009","20.6752","0.0011","90","","103.739","0.004","90","","8159.4","0.7","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C264 H600 Ce8 F8 N32 Si24 -","- C264 H600 Ce8 F8 N32 Si24 -","- C264 H600 Ce8 F8 N32 Si24 -","1","0.25","","Combourieu, Adrien; Christodoulou, Stella; Maron, Laurent; Assendjee, Eachann; Casaretto, Nicolas; Phung, Bich Tuyen; Banyasz, Akos; Maury, Olivier; Gregson, Matthew; Wooles, Ashley J.; Liddle, Stephen T.; Tard, Cédric; Nocton, Grégory; Danoun, Grégory","Visible light activation of C-Cl and C-F bonds in persistent organic pollutants using cerium(iii) triamidoamine complex.","Chemical science","2025","16","34","15510","15517","10.1039/d5sc03626g","","x-ray","0.71073","MoKα","","0.0609","0.0371","","","0.0869","0.0998","","","","","","1.035","","","","has coordinates","302552","2025-10-06","08:01:59",""
"1575203","15.80343","0.00014","22.6493","0.0002","21.5753","0.0002","90","","96.5821","0.0009","90","","7671.69","0.12","139.99","0.1","139.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C83 H118 K N3 O6 U -","- C83 H118 K N3 O6 U -","- C332 H472 K4 N12 O24 U4 -","4","1","","Pang, Yue; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","C-C bond cleavage and carbonylation enabled by an NNN-pincer uranium scaffold <i>via</i> metal-arene interaction.","Chemical science","2025","16","35","16101","16109","10.1039/d5sc04248h","","x-ray","0.71073","MoKα","","0.0766","0.0399","","","0.0747","0.0822","","","","","","1.023","","","","has coordinates,has disorder","302537","2025-10-06","07:56:15",""
"1575204","14.81503","0.00015","15.69327","0.00017","33.7005","0.0003","90","","93.4484","0.0009","90","","7821.05","0.14","140","0.1","140","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C83 H122 K N3 O3 U -","- C83 H122 K N3 O3 U -","- C332 H488 K4 N12 O12 U4 -","4","1","","Pang, Yue; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","C-C bond cleavage and carbonylation enabled by an NNN-pincer uranium scaffold <i>via</i> metal-arene interaction.","Chemical science","2025","16","35","16101","16109","10.1039/d5sc04248h","","x-ray","1.54184","CuKα","","0.0513","0.0402","","","0.1008","0.108","","","","","","1.054","","","","has coordinates,has disorder","302537","2025-10-06","07:56:15",""
"1575205","11.6846","0.0002","15.7796","0.0003","18.592","0.0003","103.309","0.0015","94.0723","0.0015","107.288","0.0017","3149.13","0.1","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C126 H188 Cl4 K2 N6 O8 U2 -","- C126 H188 Cl4 K2 N6 O8 U2 -","- C126 H188 Cl4 K2 N6 O8 U2 -","1","0.5","","Pang, Yue; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","C-C bond cleavage and carbonylation enabled by an NNN-pincer uranium scaffold <i>via</i> metal-arene interaction.","Chemical science","2025","16","35","16101","16109","10.1039/d5sc04248h","","x-ray","1.54184","CuKα","","0.0349","0.0307","","","0.0723","0.0745","","","","","","1.023","","","","has coordinates,has disorder","302537","2025-10-06","07:56:15",""
"1575206","15.91762","0.00013","14.57188","0.00013","26.4106","0.0002","90","","99.07","0.0008","90","","6049.33","0.09","140","0.1","140","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C119.2 H187 K6 N6 O6.3 -","- C110 H164 K6 N6 O4 -","- C220 H328 K12 N12 O8 -","2","0.5","","Pang, Yue; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","C-C bond cleavage and carbonylation enabled by an NNN-pincer uranium scaffold <i>via</i> metal-arene interaction.","Chemical science","2025","16","35","16101","16109","10.1039/d5sc04248h","","x-ray","1.54184","CuKα","","0.0472","0.0439","","","0.1244","0.1278","","","","","","1.04","","","","has coordinates,has disorder","302537","2025-10-06","07:56:15",""
"1575207","13.394","0.0003","14.0175","0.0002","25.0941","0.0005","89.5052","0.0015","75.245","0.0017","69.4982","0.0018","4250.57","0.16","139.99","0.1","139.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C92 H134 K N3 O9 U -","- C92 H134 K N3 O9 U -","- C184 H268 K2 N6 O18 U2 -","2","1","","Pang, Yue; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","C-C bond cleavage and carbonylation enabled by an NNN-pincer uranium scaffold <i>via</i> metal-arene interaction.","Chemical science","2025","16","35","16101","16109","10.1039/d5sc04248h","","x-ray","1.54184","CuKα","","0.0805","0.0789","","","0.2238","0.2249","","","","","","1.204","","","","has coordinates,has disorder","302537","2025-10-06","07:56:15",""
"1575208","22.70041","0.00019","22.5404","0.0003","26.0053","0.0003","90","","111.315","0.0012","90","","12396.1","0.3","140","0.1","140","0.1","","","","","","","","7","I 1 a 1","I -2ya","9","","","","- C122 H186 Cl3 K3 N6 O7 U2 -","- C122 H186 Cl3 K3 N6 O7 U2 -","- C488 H744 Cl12 K12 N24 O28 U8 -","4","1","","Pang, Yue; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","C-C bond cleavage and carbonylation enabled by an NNN-pincer uranium scaffold <i>via</i> metal-arene interaction.","Chemical science","2025","16","35","16101","16109","10.1039/d5sc04248h","","x-ray","1.54184","CuKα","","0.0528","0.0478","","","0.1233","0.1269","","","","","","1.017","","","","has coordinates,has disorder","302537","2025-10-06","07:56:15",""
"1575209","28.4069","0.0004","15.1709","0.0002","30.045","0.0004","90","","95.1738","0.0013","90","","12895.4","0.3","140","0.12","140","0.12","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C67 H102 N3 O5 U -","- C59 H86 N3 O3 U -","- C472 H688 N24 O24 U8 -","8","2","","Pang, Yue; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","C-C bond cleavage and carbonylation enabled by an NNN-pincer uranium scaffold <i>via</i> metal-arene interaction.","Chemical science","2025","16","35","16101","16109","10.1039/d5sc04248h","","x-ray","1.54184","CuKα","","0.0789","0.0549","","","0.1253","0.1399","","","","","","1.0224","","","","has coordinates,has disorder","302537","2025-10-06","07:56:15",""
"1575210","21.026","0.01","13.762","0.006","21.097","0.01","90","","118.1","0.016","90","","5385","4","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H79 N6 P Zn -","- C56 H79 N6 P Zn -","- C224 H316 N24 P4 Zn4 -","4","1","","Jiang, Shengjie; Wang, Ganping; Cai, Yanping; Maron, Laurent; Xu, Xin","Zinc substituted carbenes: synthesis, structure, and ambiphilic reactivity.","Chemical science","2025","16","34","15462","15468","10.1039/d5sc03342j","","","0.71073","MoKα","","0.1325","0.0805","","","0.1192","0.1372","","","","","","1.154","","","","has coordinates,has disorder","302540","2025-10-06","07:57:27",""
"1575211","13.2792","0.0007","13.7788","0.001","15.3972","0.0012","70.153","0.007","76.765","0.005","79.146","0.005","2560.6","0.3","223","0.1","223","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C53 H74 N4 P Zn -","- C53 H74 N4 P Zn -","- C106 H148 N8 P2 Zn2 -","2","1","","Jiang, Shengjie; Wang, Ganping; Cai, Yanping; Maron, Laurent; Xu, Xin","Zinc substituted carbenes: synthesis, structure, and ambiphilic reactivity.","Chemical science","2025","16","34","15462","15468","10.1039/d5sc03342j","","x-ray","0.71073","MoKα","","0.1113","0.0586","","","0.126","0.163","","","","","","1.04","","","","has coordinates,has disorder","302540","2025-10-06","07:57:27",""
"1575212","24.9688","0.0009","10.7308","0.0004","21.6707","0.0008","90","","96.88","0.001","90","","5764.5","0.4","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H79 N4 P Zn -","- C56 H79 N4 P Zn -","- C224 H316 N16 P4 Zn4 -","4","1","","Jiang, Shengjie; Wang, Ganping; Cai, Yanping; Maron, Laurent; Xu, Xin","Zinc substituted carbenes: synthesis, structure, and ambiphilic reactivity.","Chemical science","2025","16","34","15462","15468","10.1039/d5sc03342j","","","0.71073","MoKα","","0.0926","0.0614","","","0.1337","0.1492","","","","","","1.039","","","","has coordinates","302540","2025-10-06","07:57:27",""
"1575213","13.2738","0.0004","16.5149","0.0005","19.8649","0.0006","85.59","0.001","86.806","0.001","84.517","0.001","4316.8","0.2","150","1","150","1","","","","","","","","9","P -1","-P 1","2","","","","- C88 H106 Au F6 N5 O4 P2 S2 Zn -","- C88 H106 Au F6 N5 O4 P2 S2 Zn -","- C176 H212 Au2 F12 N10 O8 P4 S4 Zn2 -","2","1","","Jiang, Shengjie; Wang, Ganping; Cai, Yanping; Maron, Laurent; Xu, Xin","Zinc substituted carbenes: synthesis, structure, and ambiphilic reactivity.","Chemical science","2025","16","34","15462","15468","10.1039/d5sc03342j","","","0.71073","MoKα","","0.0671","0.0534","","","0.1292","0.1422","","","","","","1.035","","","","has coordinates","302540","2025-10-06","07:57:27",""
"1575214","14.9188","0.0006","17.12","0.0007","20.8807","0.0009","90","","94.451","0.001","90","","5317.1","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H79 N4 P Zn -","- C56 H79 N4 P Zn -","- C224 H316 N16 P4 Zn4 -","4","1","","Jiang, Shengjie; Wang, Ganping; Cai, Yanping; Maron, Laurent; Xu, Xin","Zinc substituted carbenes: synthesis, structure, and ambiphilic reactivity.","Chemical science","2025","16","34","15462","15468","10.1039/d5sc03342j","","","0.71073","MoKα","","0.1103","0.0766","","","0.1219","0.133","","","","","","1.118","","","","has coordinates","302540","2025-10-06","07:57:27",""
"1575215","12.4129","0.0017","13.8443","0.0018","18.128","0.002","99.423","0.004","91.21","0.004","101.739","0.004","3004.2","0.7","150","1","150","1","","","","","","","","9","P -1","-P 1","2","","","","- C58 H79 Ag F6 N5 O4 P S2 Zn -","- C58 H79 Ag F6 N5 O4 P S2 Zn -","- C116 H158 Ag2 F12 N10 O8 P2 S4 Zn2 -","2","1","","Jiang, Shengjie; Wang, Ganping; Cai, Yanping; Maron, Laurent; Xu, Xin","Zinc substituted carbenes: synthesis, structure, and ambiphilic reactivity.","Chemical science","2025","16","34","15462","15468","10.1039/d5sc03342j","","","0.71073","MoKα","","0.083","0.066","","","0.1833","0.2011","","","","","","1.031","","","","has coordinates","302540","2025-10-06","07:57:27",""
"1575216","11.4773","0.0007","12.3292","0.0007","21.4352","0.0012","98.574","0.002","98.849","0.002","105.039","0.002","2837.1","0.3","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C61 H86 N4 Ni P Zn -","- C61 H86 N4 Ni P Zn -","- C122 H172 N8 Ni2 P2 Zn2 -","2","1","","Jiang, Shengjie; Wang, Ganping; Cai, Yanping; Maron, Laurent; Xu, Xin","Zinc substituted carbenes: synthesis, structure, and ambiphilic reactivity.","Chemical science","2025","16","34","15462","15468","10.1039/d5sc03342j","","","0.71073","MoKα","","0.0743","0.0524","","","0.1102","0.1218","","","","","","1.049","","","","has coordinates","302540","2025-10-06","07:57:27",""
"1575217","21.0168","0.0012","13.7828","0.0007","20.9785","0.0012","90","","118.003","0.002","90","","5365.4","0.5","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H79 N4 O P Zn -","- C57 H79 N4 O P Zn -","- C228 H316 N16 O4 P4 Zn4 -","4","1","","Jiang, Shengjie; Wang, Ganping; Cai, Yanping; Maron, Laurent; Xu, Xin","Zinc substituted carbenes: synthesis, structure, and ambiphilic reactivity.","Chemical science","2025","16","34","15462","15468","10.1039/d5sc03342j","","","0.71073","MoKα","","0.1475","0.085","","","0.1332","0.1582","","","","","","1.078","","","","has coordinates","302540","2025-10-06","07:57:27",""
"1575218","14.1786","0.0005","14.4517","0.0006","26.2054","0.0011","90","","90","","90","","5369.6","0.4","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C57 H79 N4 O2 P Zn -","- C57 H79 N4 O2 P Zn -","- C228 H316 N16 O8 P4 Zn4 -","4","1","","Jiang, Shengjie; Wang, Ganping; Cai, Yanping; Maron, Laurent; Xu, Xin","Zinc substituted carbenes: synthesis, structure, and ambiphilic reactivity.","Chemical science","2025","16","34","15462","15468","10.1039/d5sc03342j","","","0.71073","MoKα","","0.0589","0.0432","","","0.0936","0.1022","","","","","","1.037","","","","has coordinates","302540","2025-10-06","07:57:27",""
"1575219","22.5888","0.001","17.4697","0.0008","19.2725","0.0008","90","","109.369","0.001","90","","7174.9","0.5","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70.5 H97 N8 P Zn -","- C70.5 H97 N8 P Zn -","- C282 H388 N32 P4 Zn4 -","4","1","","Jiang, Shengjie; Wang, Ganping; Cai, Yanping; Maron, Laurent; Xu, Xin","Zinc substituted carbenes: synthesis, structure, and ambiphilic reactivity.","Chemical science","2025","16","34","15462","15468","10.1039/d5sc03342j","","","0.71073","MoKα","","0.1735","0.1092","","","0.2463","0.2878","","","","","","1.128","","","","has coordinates,has disorder","302540","2025-10-06","07:57:27",""
"1575220","8.9542","0.0005","14.7938","0.0008","20.8352","0.0011","106.669","0.002","93.269","0.002","90.445","0.002","2638.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H54 N2 O6 Si -","- C56 H54 N2 O6 Si -","- C112 H108 N4 O12 Si2 -","2","1","","Stoess, Lennart; Greb, Lutz","What distinguishes the strength and the effect of a Lewis base: insights with a strong chromogenic silicon Lewis acid.","Chemical science","2025","16","34","15387","15395","10.1039/d5sc03200h","","x-ray","0.71073","MoKα","","0.0711","0.0613","","","0.1615","0.1677","","","","","","1.086","","","","has coordinates","302541","2025-10-06","07:57:50",""
"1575221","15.0843","0.0017","15.9059","0.0017","20.643","0.002","108.857","0.004","95.289","0.004","114.939","0.003","4096.6","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C84.5 H111 Cl6 N2 O6 P Si -","- C84.501 H111.002 Cl6.002 N2 O6 P Si -","- C169.002 H222.004 Cl12.004 N4 O12 P2 Si2 -","2","1","","Stoess, Lennart; Greb, Lutz","What distinguishes the strength and the effect of a Lewis base: insights with a strong chromogenic silicon Lewis acid.","Chemical science","2025","16","34","15387","15395","10.1039/d5sc03200h","","x-ray","0.71073","MoKα","","0.1813","0.1148","","","0.2872","0.3177","","","","","","1.038","","","","has coordinates,has disorder","302541","2025-10-06","07:58:01",""
"1575222","23.7594","0.0015","12.8395","0.0008","27.154","0.0016","90","","101.651","0.002","90","","8112.9","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C83.92 H81.84 Cl8.84 N2 O6 P Si -","- C83.918 H81.836 Cl8.836 N2 O6 P Si -","- C335.672 H327.344 Cl35.344 N8 O24 P4 Si4 -","4","1","","Stoess, Lennart; Greb, Lutz","What distinguishes the strength and the effect of a Lewis base: insights with a strong chromogenic silicon Lewis acid.","Chemical science","2025","16","34","15387","15395","10.1039/d5sc03200h","","x-ray","0.71073","MoKα","","0.0672","0.0507","","","0.1242","0.1357","","","","","","1.037","","","","has coordinates,has disorder","302541","2025-10-06","07:58:02",""
"1575224","31.9024","0.0004","11.255","0.0001","16.6438","0.0002","90","","90","","90","","5976.15","0.12","123","0.1","123","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24 H43 Fe Mg O3.5 P5 -","- C24 H43 Fe Mg O3.5 P5 -","- C192 H344 Fe8 Mg8 O28 P40 -","8","1","","Adlbert, Lukas; Weber, Martin; Riesinger, Christoph; Seidl, Michael; Scheer, Manfred","A simple synthesis of group 2 anthracenides and their use as reducing agents for polypnictogen ligand complexes.","Chemical science","2025","16","34","15446","15454","10.1039/d5sc04242a","","","1.54184","CuKα","","0.0366","0.0335","","","0.0894","0.0918","","","","","","1.037","","","","has coordinates,has disorder","302543","2025-10-06","07:58:50",""
"1575225","14.4098","0.0004","21.064","0.0005","18.1097","0.0005","90","","95.055","0.002","90","","5475.4","0.3","122.97","0.1","122.97","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C109 H150 Fe2 Mg2 N4 P12 -","- C109 H150 Fe2 Mg2 N4 P12 -","- C218 H300 Fe4 Mg4 N8 P24 -","2","0.5","","Adlbert, Lukas; Weber, Martin; Riesinger, Christoph; Seidl, Michael; Scheer, Manfred","A simple synthesis of group 2 anthracenides and their use as reducing agents for polypnictogen ligand complexes.","Chemical science","2025","16","34","15446","15454","10.1039/d5sc04242a","","","1.54184","CuKα","","0.0833","0.0554","","","0.117","0.1364","","","","","","1.05","","","","has coordinates,has disorder","302543","2025-10-06","07:58:50",""
"1575226","27.7184","0.0007","40.4538","0.0012","20.3254","0.0004","90","","90","","90","","22791.2","1","133","0.1","133.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C44 H78 Ba Fe2 O6 P10 -","- C42 H74 Ba Fe2 O5.5 P10 -","- C672 H1184 Ba16 Fe32 O88 P160 -","16","4","","Adlbert, Lukas; Weber, Martin; Riesinger, Christoph; Seidl, Michael; Scheer, Manfred","A simple synthesis of group 2 anthracenides and their use as reducing agents for polypnictogen ligand complexes.","Chemical science","2025","16","34","15446","15454","10.1039/d5sc04242a","","","0.71073","MoKα","","0.1214","0.1004","","","0.2664","0.2853","","","","","","1.066","","","","has coordinates,has disorder","302543","2025-10-06","07:58:50",""
"1575227","10.7346","0.0001","10.7346","0.0001","60.8","0.0008","90","","90","","90","","7006.08","0.13","123","0.1","123","0.1","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C66 H96 Fe2 Mg O5 P12 -","- C66 H96 Fe2 Mg O5 P12 -","- C264 H384 Fe8 Mg4 O20 P48 -","4","0.5","","Adlbert, Lukas; Weber, Martin; Riesinger, Christoph; Seidl, Michael; Scheer, Manfred","A simple synthesis of group 2 anthracenides and their use as reducing agents for polypnictogen ligand complexes.","Chemical science","2025","16","34","15446","15454","10.1039/d5sc04242a","","","1.54184","CuKα","","0.0642","0.0537","","","0.1211","0.1263","","","","","","1.038","","","","has coordinates,has disorder","302543","2025-10-06","07:58:50",""
"1575228","10.7954","0.0002","20.3376","0.0003","19.5093","0.0003","90","","90.312","0.001","90","","4283.25","0.12","123.01","0.1","123.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H120 Fe2 O8 P12 Sr2 -","- C78 H120 Fe2 O8 P12 Sr2 -","- C156 H240 Fe4 O16 P24 Sr4 -","2","0.5","","Adlbert, Lukas; Weber, Martin; Riesinger, Christoph; Seidl, Michael; Scheer, Manfred","A simple synthesis of group 2 anthracenides and their use as reducing agents for polypnictogen ligand complexes.","Chemical science","2025","16","34","15446","15454","10.1039/d5sc04242a","","","1.54184","CuKα","","0.0624","0.049","","","0.1293","0.138","","","","","","1.056","","","","has coordinates,has disorder","302543","2025-10-06","07:58:51",""
"1575229","12.3561","0.0003","15.515","0.0003","20.0866","0.0005","90","","103.304","0.002","90","","3747.36","0.15","140","0.1","140","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H108 Fe2 O10 P10 Sr2 -","- C60 H108 Fe2 O10 P10 Sr2 -","- C120 H216 Fe4 O20 P20 Sr4 -","2","0.5","","Adlbert, Lukas; Weber, Martin; Riesinger, Christoph; Seidl, Michael; Scheer, Manfred","A simple synthesis of group 2 anthracenides and their use as reducing agents for polypnictogen ligand complexes.","Chemical science","2025","16","34","15446","15454","10.1039/d5sc04242a","","","0.56087","AgKα","","0.0713","0.0475","","","0.1121","0.1298","","","","","","1.034","","","","has coordinates,has disorder","302543","2025-10-06","07:58:51",""
"1575230","10.5512","0.0006","14.2205","0.0007","37.349","0.002","90","","95.224","0.005","90","","5580.7","0.5","122.98","0.11","122.98","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H76 Fe2 Mg O8 P10 -","- C38 H76 Fe2 Mg O8 P10 -","- C152 H304 Fe8 Mg4 O32 P40 -","4","1","","Adlbert, Lukas; Weber, Martin; Riesinger, Christoph; Seidl, Michael; Scheer, Manfred","A simple synthesis of group 2 anthracenides and their use as reducing agents for polypnictogen ligand complexes.","Chemical science","2025","16","34","15446","15454","10.1039/d5sc04242a","","","1.54184","CuKα","","0.1007","0.0723","","","0.1847","0.2191","","","","","","1.067","","","","has coordinates,has disorder","302543","2025-10-06","07:58:51",""
"1575236","27.228","0.003","27.228","0.003","15.692","0.004","90","","90","","120","","10075","3","100","0.1","100","0.1","","","","","","","","6","R -3 :H","-R 3","148","heat","M1'","","- C66 H78 B3 F12 N3 O3 -","- C66 H78 B3 F12 N3 O3 -","- C396 H468 B18 F72 N18 O18 -","6","0.333333","","Wang, Hui; Sun, Chuanqi; Jia, Xu; Liu, Hui; Li, Cheng; Zhao, Yingjie","Reversible transformation of single-crystal two-dimensional polymer framework for photo/thermal reversible photolithography.","Chemical science","2025","16","34","15734","15741","10.1039/d5sc03359d","","x-ray","1.54184","CuKα","","0.2382","0.1821","","","0.3212","0.3454","","","","","","1.212","","","","has coordinates","302539","2025-10-06","07:56:55",""
"1575237","9.7011","0.0001","12.6871","0.0002","12.0065","0.0002","90","","91.03","0.001","90","","1477.51","0.04","123","","123","","","","","","","","","4","P 1 n 1","P -2yac","7","","5-bromo-2-methoxy-1,1':4',1''-terphenyl","","- C19 H15 Br O -","- C19 H15 Br O -","- C76 H60 Br4 O4 -","4","2","","Gao, Yunpeng; Jiang, Julong; Maeda, Satoshi; Kubota, Koji; Ito, Hajime","A cooperative electron-deficient phosphine/olefin ligand system for the site-selective mechanochemical Suzuki-Miyaura cross-coupling of 2,4-dibromoaryl ethers.","Chemical science","2025","16","35","15964","15976","10.1039/d5sc01669j","","x-ray","1.54184","CuKα","","0.0304","0.0287","","","0.0783","0.0895","","","","","","1.116","","","","has coordinates","302526","2025-10-06","07:49:22",""
"1575238","6.4748","0.0001","9.6162","0.0002","21.7688","0.0003","90","","90","","90","","1355.39","0.04","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(5-bromo-2-methoxyphenyl)naphthalene","","- C17 H13 Br O -","- C17 H13 Br O -","- C68 H52 Br4 O4 -","4","1","","Gao, Yunpeng; Jiang, Julong; Maeda, Satoshi; Kubota, Koji; Ito, Hajime","A cooperative electron-deficient phosphine/olefin ligand system for the site-selective mechanochemical Suzuki-Miyaura cross-coupling of 2,4-dibromoaryl ethers.","Chemical science","2025","16","35","15964","15976","10.1039/d5sc01669j","","x-ray","1.54184","CuKα","","0.0296","0.0281","","","0.0782","0.0807","","","","","","1.156","","","","has coordinates","302526","2025-10-06","07:49:22",""
"1575239","7.2726","0.0005","34.397","0.002","7.1925","0.0005","90","","114.07","0.008","90","","1642.8","0.2","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","methyl 4'-methoxy-4''-methyl-[1,1':3',1''-terphenyl]-4-carboxylate","","- C22 H20 O3 -","- C22 H20 O3 -","- C88 H80 O12 -","4","1","","Gao, Yunpeng; Jiang, Julong; Maeda, Satoshi; Kubota, Koji; Ito, Hajime","A cooperative electron-deficient phosphine/olefin ligand system for the site-selective mechanochemical Suzuki-Miyaura cross-coupling of 2,4-dibromoaryl ethers.","Chemical science","2025","16","35","15964","15976","10.1039/d5sc01669j","","x-ray","0.71073","MoKα","","0.0482","0.0422","","","0.117","0.1211","","","","","","1.009","","","","has coordinates","302526","2025-10-06","07:49:22",""
"1575240","13.1518","0.0001","19.2859","0.0001","18.429","0.0002","90","","90.849","0.001","90","","4673.9","0.07","123","","123","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H43 Br2 F12 O3 P Pd -","- C46 H43 Br2 F12 O3 P Pd -","- C184 H172 Br8 F48 O12 P4 Pd4 -","4","1","","Gao, Yunpeng; Jiang, Julong; Maeda, Satoshi; Kubota, Koji; Ito, Hajime","A cooperative electron-deficient phosphine/olefin ligand system for the site-selective mechanochemical Suzuki-Miyaura cross-coupling of 2,4-dibromoaryl ethers.","Chemical science","2025","16","35","15964","15976","10.1039/d5sc01669j","","x-ray","1.54184","CuKα","","0.0527","0.0513","","","0.1442","0.1488","","","","","","1.067","","","","has coordinates,has disorder","302526","2025-10-06","07:49:22",""
"1575241","10.0751","0.001","13.7318","0.0017","14.6404","0.0015","91.336","0.006","107.416","0.004","90.799","0.006","1931.6","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H23 N5 Ni O7 -","- C28 H16 N4 Ni O6 -","- C56 H32 N8 Ni2 O12 -","2","1","","Tai, Hongbo; Zhang, Xuan; Rong, Yang; Liu, Zhiliang","Rational crystal engineering of conductive metal-organic frameworks for promising electrochemical energy storage.","Chemical science","2025","16","34","15438","15445","10.1039/d5sc02794b","","","1.34139","GaKα","","0.0702","0.0523","","","0.1572","0.1681","","","","","","1.057","","","","has coordinates,has disorder","302550","2025-10-06","08:01:15",""
"1575242","10.1","0.002","13.535","0.003","14.671","0.003","104.991","0.006","109.272","0.006","94.427","0.006","1799.5","0.7","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 N5 Ni O8 -","- C28 H18 N4 Ni O6 -","- C56 H36 N8 Ni2 O12 -","2","1","","Tai, Hongbo; Zhang, Xuan; Rong, Yang; Liu, Zhiliang","Rational crystal engineering of conductive metal-organic frameworks for promising electrochemical energy storage.","Chemical science","2025","16","34","15438","15445","10.1039/d5sc02794b","","","1.34139","GaKα","","0.0706","0.0556","","","0.1607","0.1696","","","","","","1.099","","","","has coordinates","302550","2025-10-06","08:01:15",""
"1575246","20.88","0.0009","4.1316","0.0001","17.4968","0.0007","90","","114.092","0.005","90","","1377.93","0.1","100","0.1","100","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C12 H10 Br2 N2 Pb -","- C12 H10 Br2 N2 Pb -","- C48 H40 Br8 N8 Pb4 -","4","1","","Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng","Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence.","Chemical science","2025","16","35","16004","16015","10.1039/d5sc04306a","","x-ray","0.71073","MoKα","","0.0495","0.0445","","","0.093","0.095","","","","","","1.192","","","","has coordinates","302531","2025-10-06","07:51:28",""
"1575247","9.6885","0.0006","17.909","0.0011","4.336","0.0003","90","","90","","90","","752.35","0.08","99.97","0.11","99.97","0.11","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C12 I2 N2 Pb -","- C12 I2 N2 Pb -","- C24 I4 N4 Pb2 -","2","0.5","","Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng","Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence.","Chemical science","2025","16","35","16004","16015","10.1039/d5sc04306a","","x-ray","0.71073","MoKα","","0.0642","0.0605","","","0.1361","0.1381","","","","","","1.265","","","","has coordinates,has disorder","302531","2025-10-06","07:51:29",""
"1575248","19.6147","0.0009","10.211","0.0003","7.2904","0.0003","90","","90","","90","","1460.16","0.1","100","0.1","100","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H10 I2 N2 Pb -","- C12 H10 I2 N2 Pb -","- C48 H40 I8 N8 Pb4 -","4","0.5","","Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng","Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence.","Chemical science","2025","16","35","16004","16015","10.1039/d5sc04306a","","x-ray","0.71073","MoKα","","0.0453","0.0349","","","0.0553","0.0578","","","","","","1.256","","","","has coordinates","302531","2025-10-06","07:51:29",""
"1575249","12.1435","0.0008","14.3139","0.0009","4.1064","0.0003","90","","91.303","0.007","90","","713.59","0.08","99.94","0.13","99.94","0.13","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C12 Br2 N2 Pb -","- C12 Br2 N2 Pb -","- C24 Br4 N4 Pb2 -","2","0.25","","Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng","Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence.","Chemical science","2025","16","35","16004","16015","10.1039/d5sc04306a","","x-ray","0.71073","MoKα","","0.0481","0.0453","","","0.1076","0.1105","","","","","","1.089","","","","has coordinates,has disorder","302531","2025-10-06","07:51:29",""
"1575250","4.0476","0.0002","8.8861","0.0005","9.5086","0.0005","74.107","0.005","85.675","0.005","81.7","0.005","325.25","0.03","99.97","0.1","99.97","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Cl2 N2 Pb -","- C12 H10 Cl2 N2 Pb -","- C12 H10 Cl2 N2 Pb -","1","0.5","","Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng","Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence.","Chemical science","2025","16","35","16004","16015","10.1039/d5sc04306a","","x-ray","0.71073","MoKα","","0.0282","0.0278","","","0.0664","0.0664","","","","","","1.06","","","","has coordinates","302531","2025-10-06","07:51:29",""
"1575251","12.8252","0.0005","14.2484","0.0004","4.2928","0.0002","90","","90.172","0.004","90","","784.46","0.05","99.97","0.1","99.97","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H10 I2 N2 Pb -","- C12 H10 I2 N2 Pb -","- C24 H20 I4 N4 Pb2 -","2","0.25","","Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng","Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence.","Chemical science","2025","16","35","16004","16015","10.1039/d5sc04306a","","x-ray","0.71073","MoKα","","0.0421","0.0406","","","0.1044","0.1056","","","","","","1.179","","","","has coordinates,has disorder","302531","2025-10-06","07:51:29",""
"1575252","8.8284","0.0002","18.8885","0.0005","4.1504","0.0001","90","","90","","90","","692.1","0.03","99.95","0.11","99.95","0.11","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C12 Br2 N2 Pb -","- C12 Br2 N2 Pb -","- C24 Br4 N4 Pb2 -","2","0.25","","Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng","Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence.","Chemical science","2025","16","35","16004","16015","10.1039/d5sc04306a","","x-ray","0.71073","MoKα","","0.0345","0.0282","","","0.0607","0.0634","","","","","","1.109","","","","has coordinates,has disorder","302531","2025-10-06","07:51:29",""
"1575253","4.366","0.0003","9.7804","0.0004","18.0733","0.0008","90","","90","","90","","771.75","0.07","99.97","0.1","100.15","","","","","","","","","4","P m c 21","P 2c -2","26","","","","- C12 I2 N2 Pb -","- C12 I2 N2 Pb -","- C24 I4 N4 Pb2 -","2","0.5","","Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng","Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence.","Chemical science","2025","16","35","16004","16015","10.1039/d5sc04306a","","x-ray","0.71","MoKα","","0.051","0.0475","","","0.1089","0.1114","","","","","","1.218","","","","has coordinates,has disorder","302531","2025-10-06","07:51:29",""
"1575254","3.9385","0.0003","28.0476","0.0015","11.9766","0.0007","90","","97.269","0.006","90","","1312.37","0.15","99.93","0.16","99.93","0.16","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cl2 N2 Pb -","- C12 H10 Cl2 N2 Pb -","- C48 H40 Cl8 N8 Pb4 -","4","0.5","","Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng","Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence.","Chemical science","2025","16","35","16004","16015","10.1039/d5sc04306a","","","0.71073","MoKα","","0.047","0.0423","","","0.0857","0.0874","","","","","","1.211","","","","has coordinates,has disorder","302531","2025-10-06","07:51:29",""
"1575255","11.995","0.002","14.728","0.003","4.3566","0.0008","90","","95.427","0.006","90","","766.2","0.2","173","","173","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H10 I2 N2 Pb -","- C12 H10 I2 N2 Pb -","- C24 H20 I4 N4 Pb2 -","2","0.25","","Chen, Zhongwei; Wu, Jin; Deng, Zeyu; Chen, Congcong; Feng, Jianning; Ma, Baixu; Tao, Lizhi; Mao, Lingling; Lu, Haipeng","Topochemical photocycloaddition in two-dimensional lead-halide coordination polymers with tunable phosphorescence.","Chemical science","2025","16","35","16004","16015","10.1039/d5sc04306a","","","0.71073","MoKα","","0.0444","0.042","","","0.1014","0.1032","","","","","","1.021","","","","has coordinates","302531","2025-10-06","07:51:29",""
"1575263","17.72","0.019","5.998","0.007","33.06","0.04","90","","90","","90","","3514","7","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C160 H168 N8 O32 -","8","2","","Vinod, Kavya; Noushad, Najuma; Tanaka, Hidetoshi; Mohan, Nitha; Kokado, Yuya; Tomiya, Daiki; Kobori, Yasuhiro; Hariharan, Mahesh","Aggregation-assisted energy gap modulation controls delayed emission in hybrid charge-transfer emitters.","Chemical science","2025","16","34","15546","15554","10.1039/d5sc02071a","","","0.71073","MoKα","","0.2152","0.0851","","","0.1844","0.2522","","","","","","1.003","","","","has coordinates","302544","2025-10-06","07:59:04",""
"1575264","10.8941","0.0014","19.285","0.002","9.3345","0.0011","90","","106.773","0.004","90","","1877.7","0.4","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Br N O4 -","- C20 H20 Br N O4 -","- C80 H80 Br4 N4 O16 -","4","1","","Vinod, Kavya; Noushad, Najuma; Tanaka, Hidetoshi; Mohan, Nitha; Kokado, Yuya; Tomiya, Daiki; Kobori, Yasuhiro; Hariharan, Mahesh","Aggregation-assisted energy gap modulation controls delayed emission in hybrid charge-transfer emitters.","Chemical science","2025","16","34","15546","15554","10.1039/d5sc02071a","","","0.71073","MoKα","","0.0914","0.0442","","","0.0939","0.109","","","","","","1.025","","","","has coordinates","302544","2025-10-06","07:59:04",""
"1575265","6.5089","0.0004","8.2692","0.0005","13.0732","0.0009","90","","101.411","0.002","90","","689.74","0.08","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H16 N4 -","- C17 H16 N4 -","- C34 H32 N8 -","2","1","","Laluk, Andrew L. D. M.; Buschmann, Dennis A.; Takano, Shinjiro; Sullivan, Angus I.; Aminfar, Parimah; Stamplecoskie, Kevin; Tsukuda, Tatsuya; Crudden, Cathleen M.","Tuning the surface chemistry of NHC-protected Au<sub>13</sub> nanoclusters <i>via</i> a robust amide coupling procedure.","Chemical science","2025","16","39","18278","18285","10.1039/d5sc02951a","","","0.71073","MoKα","","0.054","0.0393","","","0.081","0.0886","","","","","","1.072","","","","has coordinates","303641","2025-11-29","18:30:54",""
"1575266","10.4502","0.0003","10.814","0.0004","12.2059","0.0005","92.928","0.001","108.465","0.001","97.633","0.001","1290.38","0.08","102","2","102","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H60 Au Cl2 N4 O10 -","- C56 H60 Au Cl2 N4 O10 -","- C56 H60 Au Cl2 N4 O10 -","1","0.5","","Laluk, Andrew L. D. M.; Buschmann, Dennis A.; Takano, Shinjiro; Sullivan, Angus I.; Aminfar, Parimah; Stamplecoskie, Kevin; Tsukuda, Tatsuya; Crudden, Cathleen M.","Tuning the surface chemistry of NHC-protected Au<sub>13</sub> nanoclusters <i>via</i> a robust amide coupling procedure.","Chemical science","2025","16","39","18278","18285","10.1039/d5sc02951a","","","0.71073","MoKα","","0.0487","0.0449","","","0.0976","0.1002","","","","","","1.067","","","","has coordinates","303641","2025-11-29","18:30:54",""
"1575267","7.3204","0.0004","12.4682","0.0007","12.7462","0.0007","83.405","0.002","75.025","0.002","89.663","0.002","1116.08","0.11","101","2","101","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H48 Au F6 N4 O8 P -","- C46 H48 Au F6 N4 O8 P -","- C46 H48 Au F6 N4 O8 P -","1","0.5","","Laluk, Andrew L. D. M.; Buschmann, Dennis A.; Takano, Shinjiro; Sullivan, Angus I.; Aminfar, Parimah; Stamplecoskie, Kevin; Tsukuda, Tatsuya; Crudden, Cathleen M.","Tuning the surface chemistry of NHC-protected Au<sub>13</sub> nanoclusters <i>via</i> a robust amide coupling procedure.","Chemical science","2025","16","39","18278","18285","10.1039/d5sc02951a","","","0.71073","MoKα","","0.0471","0.0431","","","0.0846","0.0878","","","","","","1.101","","","","has coordinates","303641","2025-11-29","18:30:54",""
"1575268","22.7415","0.0011","27.9306","0.0012","36.9007","0.0018","90","","101.763","0.0016","90","","22946.5","1.9","108","0.5","108","0.5","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C210 H222 Au13 Cl9 F12 N18 O36 P2 -","- C210 H222 Au13 Cl9 F12 N18 O36 P2 -","- C840 H888 Au52 Cl36 F48 N72 O144 P8 -","4","1","","Laluk, Andrew L. D. M.; Buschmann, Dennis A.; Takano, Shinjiro; Sullivan, Angus I.; Aminfar, Parimah; Stamplecoskie, Kevin; Tsukuda, Tatsuya; Crudden, Cathleen M.","Tuning the surface chemistry of NHC-protected Au<sub>13</sub> nanoclusters <i>via</i> a robust amide coupling procedure.","Chemical science","2025","16","39","18278","18285","10.1039/d5sc02951a","","x-ray","0.71073","MoKα","","0.0963","0.0709","","","0.161","0.1761","","","","","","1.096","","","","has coordinates,has disorder","303641","2025-11-29","18:30:54",""
"1575269","19.5502","0.001","12.5616","0.0006","18.7554","0.0009","90","","105.33","0.002","90","","4442.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H69 B20 O2 P3 -","- C30 H69 B20 O2 P3 -","- C120 H276 B80 O8 P12 -","4","1","","Riffle, Jared R.; Jowers, Cash L.; Luna, Sarah; Smith, Mark D.; Peryshkov, Dmitry V.","Non-spectator behavior of a neutral phosphine ligand driven by a redox-active boron cluster.","Chemical science","2025","16","35","15997","16003","10.1039/d5sc04058b","","x-ray","0.71073","MoKα","","0.0644","0.0466","","","0.0936","0.1005","","","","","","1.072","","","","has coordinates,has disorder","302524","2025-10-06","07:49:04",""
"1575270","10.3745","0.0004","10.5931","0.0005","21.3748","0.0009","77.677","0.002","84.292","0.002","77.488","0.002","2236.93","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H69 B20 Cl Cu O P3 -","- C30 H69 B20 Cl Cu O P3 -","- C60 H138 B40 Cl2 Cu2 O2 P6 -","2","1","","Riffle, Jared R.; Jowers, Cash L.; Luna, Sarah; Smith, Mark D.; Peryshkov, Dmitry V.","Non-spectator behavior of a neutral phosphine ligand driven by a redox-active boron cluster.","Chemical science","2025","16","35","15997","16003","10.1039/d5sc04058b","","x-ray","0.71073","MoKα","","0.0412","0.0318","","","0.0736","0.0775","","","","","","1.055","","","","has coordinates,has disorder","302524","2025-10-06","07:49:05",""
"1575271","12.4794","0.0005","14.7895","0.0006","16.138","0.0006","88.786","0.002","72.01","0.001","88.654","0.001","2831.79","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H81 B21 Cu P3 -","- C50 H81 B21 Cu P3 -","- C100 H162 B42 Cu2 P6 -","2","1","","Riffle, Jared R.; Jowers, Cash L.; Luna, Sarah; Smith, Mark D.; Peryshkov, Dmitry V.","Non-spectator behavior of a neutral phosphine ligand driven by a redox-active boron cluster.","Chemical science","2025","16","35","15997","16003","10.1039/d5sc04058b","","x-ray","0.71073","MoKα","","0.0672","0.0465","","","0.114","0.1233","","","","","","1.103","","","","has coordinates,has disorder","302524","2025-10-06","07:49:05",""
"1575272","10.3603","0.0006","11.3077","0.0007","20.9212","0.0013","79.915","0.002","84.143","0.002","74.576","0.002","2322.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H67 B20 Cu N5 P3 -","- C30 H67 B20 Cu N5 P3 -","- C60 H134 B40 Cu2 N10 P6 -","2","1","","Riffle, Jared R.; Jowers, Cash L.; Luna, Sarah; Smith, Mark D.; Peryshkov, Dmitry V.","Non-spectator behavior of a neutral phosphine ligand driven by a redox-active boron cluster.","Chemical science","2025","16","35","15997","16003","10.1039/d5sc04058b","","x-ray","0.71073","MoKα","","0.0625","0.0451","","","0.0973","0.1054","","","","","","1.054","","","","has coordinates","302524","2025-10-06","07:49:05",""
"1575273","11.325","0.0004","41.3884","0.0015","10.463","0.0004","90","","102.191","0.001","90","","4793.7","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H70 B20 Cl Cu N3 P3 -","- C32 H70 B20 Cl Cu N3 P3 -","- C128 H280 B80 Cl4 Cu4 N12 P12 -","4","1","","Riffle, Jared R.; Jowers, Cash L.; Luna, Sarah; Smith, Mark D.; Peryshkov, Dmitry V.","Non-spectator behavior of a neutral phosphine ligand driven by a redox-active boron cluster.","Chemical science","2025","16","35","15997","16003","10.1039/d5sc04058b","","x-ray","0.71073","MoKα","","0.0321","0.0285","","","0.072","0.0734","","","","","","1.066","","","","has coordinates","302524","2025-10-06","07:49:05",""
"1575279","5.2197","0.0003","8.8113","0.0003","11.4168","0.0006","88.594","0.003","77.55","0.005","86.718","0.004","511.86","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H20 S4 -","- C28 H20 S4 -","- C28 H20 S4 -","1","0.5","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.0647","0.0569","","","0.1577","0.1668","","","","","","1.044","","","","has coordinates","302547","2025-10-06","08:00:11",""
"1575280","10.8606","0.0003","12.9849","0.0004","13.7224","0.0004","90","","103.074","0.003","90","","1885.02","0.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 O4 -","- C28 H20 O4 -","- C112 H80 O16 -","4","1","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.09","0.0606","","","0.1402","0.1535","","","","","","1.079","","","","has coordinates","302547","2025-10-06","08:00:12",""
"1575281","10.9191","0.0004","13.1598","0.0006","13.7566","0.0005","90","","102.816","0.003","90","","1927.48","0.13","300","2","300","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 O4 -","- C28 H20 O4 -","- C112 H80 O16 -","4","1","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.117","0.0602","","","0.1348","0.1585","","","","","","1.035","","","","has coordinates","302547","2025-10-06","08:00:12",""
"1575282","9.7178","0.0007","10.8952","0.0006","17.343","0.001","90","","91.835","0.006","90","","1835.3","0.2","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 O4 -","- C26 H20 O4 -","- C104 H80 O16 -","4","1","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.1032","0.0819","","","0.2218","0.2384","","","","","","1.103","","","","has coordinates,has disorder","302547","2025-10-06","08:00:12",""
"1575283","9.6782","0.0004","10.8375","0.0004","17.2665","0.0006","90","","92.011","0.003","90","","1809.92","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 O4 -","- C26 H20 O4 -","- C104 H80 O16 -","4","1","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.1205","0.0993","","","0.2067","0.2171","","","","","","1.208","","","","has coordinates,has disorder","302547","2025-10-06","08:00:12",""
"1575284","5.101","0.0001","9.1362","0.0001","11.3735","0.0002","89.639","0.002","77.413","0.002","87.365","0.001","516.758","0.015","300","2","300","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H20 S4 -","- C26 H20 S4 -","- C26 H20 S4 -","1","0.5","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.0768","0.0752","","","0.2078","0.2086","","","","","","1.114","","","","has coordinates,has disorder","302547","2025-10-06","08:00:12",""
"1575285","10.9983","0.0003","18.9426","0.0004","19.1861","0.0003","86.1432","0.0016","75.6762","0.0019","79.232","0.002","3803.78","0.15","300","2","300","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H20 O4 -","- C26 H20 O4 -","- C208 H160 O32 -","8","4","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.0672","0.0533","","","0.1528","0.163","","","","","","1.025","","","","has coordinates,has disorder","302547","2025-10-06","08:00:12",""
"1575286","10.9472","0.0002","18.8237","0.0003","19.0718","0.0002","85.8795","0.0011","75.9202","0.0014","79.808","0.0014","3750.14","0.1","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H20 O4 -","- C26 H20 O4 -","- C208 H160 O32 -","8","4","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.0632","0.0503","","","0.1445","0.154","","","","","","1.026","","","","has coordinates,has disorder","302547","2025-10-06","08:00:12",""
"1575287","5.2372","0.0002","8.8932","0.0003","11.4399","0.0004","88.844","0.003","77.845","0.003","86.23","0.003","519.74","0.03","300","2","300","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H20 S4 -","- C28 H20 S4 -","- C28 H20 S4 -","1","0.5","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.1014","0.0832","","","0.2136","0.2268","","","","","","1.13","","","","has coordinates","302547","2025-10-06","08:00:12",""
"1575288","5.2396","0.0002","8.8512","0.0002","11.4251","0.0003","88.761","0.002","77.638","0.003","86.513","0.003","516.6","0.03","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H20 S4 -","- C28 H20 S4 -","- C28 H20 S4 -","1","0.5","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.0525","0.0469","","","0.1342","0.1396","","","","","","1.07","","","","has coordinates","302547","2025-10-06","08:00:12",""
"1575289","10.8892","0.0004","13.0557","0.0004","13.7463","0.0005","90","","102.879","0.004","90","","1905.09","0.12","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 O4 -","- C28 H20 O4 -","- C112 H80 O16 -","4","1","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.0958","0.0575","","","0.1349","0.1534","","","","","","1.03","","","","has coordinates","302547","2025-10-06","08:00:12",""
"1575290","9.768","0.0004","10.9262","0.0003","17.4458","0.0005","90","","91.678","0.003","90","","1861.14","0.11","300","2","300","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 O4 -","- C26 H20 O4 -","- C104 H80 O16 -","4","1","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.1206","0.0888","","","0.188","0.2028","","","","","","1.162","","","","has coordinates,has disorder","302547","2025-10-06","08:00:12",""
"1575291","5.0737","0.0002","9.0307","0.0002","11.309","0.0005","89.351","0.003","77.263","0.003","87.865","0.002","505.06","0.03","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H20 S4 -","- C26 H20 S4 -","- C26 H20 S4 -","1","0.5","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.0816","0.0771","","","0.1796","0.1814","","","","","","1.182","","","","has coordinates,has disorder","302547","2025-10-06","08:00:12",""
"1575292","5.0914","0.0001","9.0718","0.0001","11.3386","0.0002","89.469","0.001","77.308","0.002","87.639","0.001","510.479","0.015","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H20 S4 -","- C26 H20 S4 -","- C26 H20 S4 -","1","0.5","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.0862","0.0808","","","0.2223","0.2241","","","","","","1.228","","","","has coordinates,has disorder","302547","2025-10-06","08:00:12",""
"1575293","10.8935","0.0002","18.743","0.0004","18.9847","0.0003","85.8831","0.0014","76.1584","0.0016","79.9947","0.0018","3704.58","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H20 O4 -","- C26 H20 O4 -","- C208 H160 O32 -","8","4","","Pal, Prasanta; Bulgarevich, Kirill; Hanaki, Ryota; Kawabata, Kohsuke; Takimiya, Kazuo","Extension of the π-conjugated core of methylchalcogenolated polycyclic aromatic hydrocarbons: synthesis and characterization of 1,4,7,10-tetrakis(methylthio)- and tetramethoxy-coronene.","Chemical science","2025","16","34","15368","15377","10.1039/d5sc03215f","","x-ray","1.54184","CuKα","","0.0551","0.0482","","","0.1364","0.1406","","","","","","1.044","","","","has coordinates,has disorder","302547","2025-10-06","08:00:12",""
"1575294","23.9688","0.0016","8.5432","0.0006","30.1063","0.0018","90","","113.366","0.003","90","","5659.3","0.7","170","","170","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Cl3 N O S Ti -","- C22 H18 Cl3 N O S Ti -","- C176 H144 Cl24 N8 O8 S8 Ti8 -","8","2","","Zhu, Guangyu; Wang, Liang; Tao, Wenjie; Hou, Hongbin; Xu, Guangqiang; Wang, Bo; Wang, Qinggang","The side-arm-effect controlled stereodivergent polymerization of 1-butene","Polymer Chemistry","2025","16","33","3675","3682","10.1039/D5PY00583C","","","1.34139","GaKα","","0.1356","0.1138","","","0.2625","0.2766","","","","","","1.14","","","","has coordinates","302795","2025-10-06","10:40:00",""
"1575295","8.607","0.002","9.769","0.003","14.479","0.004","99.66","0.012","99.136","0.012","105.067","0.013","1132.4","0.5","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H21 Cl3 N2 O Ti -","- C23 H21 Cl3 N2 O Ti -","- C46 H42 Cl6 N4 O2 Ti2 -","2","1","","Zhu, Guangyu; Wang, Liang; Tao, Wenjie; Hou, Hongbin; Xu, Guangqiang; Wang, Bo; Wang, Qinggang","The side-arm-effect controlled stereodivergent polymerization of 1-butene","Polymer Chemistry","2025","16","33","3675","3682","10.1039/D5PY00583C","","","1.34139","GaKα","","0.1885","0.0996","","","0.2461","0.3127","","","","","","1","","","","has coordinates","302795","2025-10-06","10:40:00",""
"1575296","9.883","0.0003","11.2698","0.0003","14.447","0.0004","105.467","0.001","94.575","0.001","115.251","0.001","1367.63","0.07","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C11.5 H9 Cl1.5 N0.5 O Ti0.5 -","- C11.5 H9 Cl1.5 N0.5 O Ti0.5 -","- C46 H36 Cl6 N2 O4 Ti2 -","4","2","","Zhu, Guangyu; Wang, Liang; Tao, Wenjie; Hou, Hongbin; Xu, Guangqiang; Wang, Bo; Wang, Qinggang","The side-arm-effect controlled stereodivergent polymerization of 1-butene","Polymer Chemistry","2025","16","33","3675","3682","10.1039/D5PY00583C","","","1.34139","GaKα","","0.0411","0.0391","","","0.1089","0.1105","","","","","","1.06","","","","has coordinates","302795","2025-10-06","10:40:00",""
"1575297","9.7237","0.0002","11.7183","0.0003","14.3455","0.0003","108.652","0.001","109.153","0.001","92.134","0.001","1444.45","0.06","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H21 Cl3 N2 O Ti -","- C27.5 H21 Cl3 N2 O Ti -","- C55 H42 Cl6 N4 O2 Ti2 -","2","1","","Zhu, Guangyu; Wang, Liang; Tao, Wenjie; Hou, Hongbin; Xu, Guangqiang; Wang, Bo; Wang, Qinggang","The side-arm-effect controlled stereodivergent polymerization of 1-butene","Polymer Chemistry","2025","16","33","3675","3682","10.1039/D5PY00583C","","","1.34139","GaKα","","0.0467","0.0389","","","0.1017","0.1064","","","","","","1.07","","","","has coordinates,has disorder","302795","2025-10-06","10:40:00",""
"1575298","13.2842","0.0007","14.0429","0.0007","13.797","0.0007","90","","93.272","0.002","90","","2569.6","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H74 D6 Ga2 N2 P2 -","- C54 H74 D6 Ga2 N2 P2 -","- C108 H148 D12 Ga4 N4 P4 -","2","0.5","","Schwamm, Ryan J.; Bhide, Malavika A.; Nichol, Gary S.; Cowley, Michael J.","Reversible addition of ethene to gallium(i) monomers and dimers.","Chemical science","2025","16","29","13333","13344","10.1039/d4sc06894g","","","0.71073","MoKα","","0.063","0.0528","","","0.1116","0.1164","","","","","","1.171","","","","has coordinates,has disorder","301444","2025-08-04","08:09:31",""
"1575299","12.0391","0.0003","12.1205","0.0003","22.5729","0.0006","91.413","0.002","96.822","0.002","96.004","0.002","3250.28","0.14","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C75 H90 Ga2 N2 P2 -","- C75 H90 Ga2 N2 P2 -","- C150 H180 Ga4 N4 P4 -","2","1","","Schwamm, Ryan J.; Bhide, Malavika A.; Nichol, Gary S.; Cowley, Michael J.","Reversible addition of ethene to gallium(i) monomers and dimers.","Chemical science","2025","16","29","13333","13344","10.1039/d4sc06894g","","x-ray","0.71073","MoKα","","0.069","0.0485","","","0.1008","0.1089","","","","","","1.043","","","","has coordinates,has disorder","301444","2025-08-04","08:09:44",""
"1575300","14.0253","0.0001","16.5037","0.0001","26.1487","0.0001","90","","90","","90","","6052.62","0.06","100.01","0.1","100.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C70 H86 Ga2 N2 P2 -","- C70 H86 Ga2 N2 P2 -","- C280 H344 Ga8 N8 P8 -","4","1","","Schwamm, Ryan J.; Bhide, Malavika A.; Nichol, Gary S.; Cowley, Michael J.","Reversible addition of ethene to gallium(i) monomers and dimers.","Chemical science","2025","16","29","13333","13344","10.1039/d4sc06894g","","","1.54184","CuKα","","0.0697","0.0665","","","0.1649","0.1695","","","","","","1.042","","","","has coordinates","301444","2025-08-04","08:09:47",""
"1575301","9.8258","0.0003","10.6897","0.0004","15.1671","0.0006","80.922","0.003","76.755","0.003","75.256","0.003","1491.24","0.1","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H41 Ga N P -","- C34 H41 Ga N P -","- C68 H82 Ga2 N2 P2 -","2","1","","Schwamm, Ryan J.; Bhide, Malavika A.; Nichol, Gary S.; Cowley, Michael J.","Reversible addition of ethene to gallium(i) monomers and dimers.","Chemical science","2025","16","29","13333","13344","10.1039/d4sc06894g","","x-ray","0.71073","MoKα","","0.0492","0.0391","","","0.1193","0.1278","","","","","","0.929","","","","has coordinates","301444","2025-08-04","08:10:03",""
"1575302","15.0973","0.0013","23.9872","0.001","17.0383","0.0009","90","","116.108","0.009","90","","5540.7","0.7","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H47 B F22 Ga N P -","- C60 H47 B F22 Ga N P -","- C240 H188 B4 F88 Ga4 N4 P4 -","4","1","","Schwamm, Ryan J.; Bhide, Malavika A.; Nichol, Gary S.; Cowley, Michael J.","Reversible addition of ethene to gallium(i) monomers and dimers.","Chemical science","2025","16","29","13333","13344","10.1039/d4sc06894g","","x-ray","1.54184","CuKα","","0.1397","0.1136","","","0.2778","0.2932","","","","","","1.185","","","","has coordinates,has disorder","301444","2025-08-04","08:10:13",""
"1575303","14.3929","0.0005","14.7735","0.0005","21.6915","0.0006","90","","92.238","0.003","90","","4608.8","0.3","120.01","0.11","120.01","0.11","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H41 B F15 Ga N P -","- C52 H41 B F15 Ga N P -","- C208 H164 B4 F60 Ga4 N4 P4 -","4","1","","Schwamm, Ryan J.; Bhide, Malavika A.; Nichol, Gary S.; Cowley, Michael J.","Reversible addition of ethene to gallium(i) monomers and dimers.","Chemical science","2025","16","29","13333","13344","10.1039/d4sc06894g","","x-ray","0.71073","MoKα","","0.078","0.0504","","","0.0882","0.0978","","","","","","1.043","","","","has coordinates,has disorder","301444","2025-08-04","08:10:24",""
"1575304","13.8266","0.0009","24.9376","0.0012","16.2676","0.0007","90","","111.413","0.006","90","","5221.9","0.5","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C108 H84 B2 F42 Ga2 N2 P2 -","- C108 H84 B2 F42 Ga2 N2 P2 -","- C216 H168 B4 F84 Ga4 N4 P4 -","2","0.5","","Schwamm, Ryan J.; Bhide, Malavika A.; Nichol, Gary S.; Cowley, Michael J.","Reversible addition of ethene to gallium(i) monomers and dimers.","Chemical science","2025","16","29","13333","13344","10.1039/d4sc06894g","","x-ray","1.54184","CuKα","","0.1186","0.0754","","","0.1922","0.2159","","","","","","1.051","","","","has coordinates,has disorder","301444","2025-08-04","08:10:24",""
"1575305","28.6854","0.0012","8.599","0.0003","21.4708","0.001","90","","90","","90","","5296.1","0.4","120.01","0.1","120.01","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C56 H78 D6 Ga2 N2 P2 -","- C56 H78 D6 Ga2 N2 P2 -","- C224 H312 D24 Ga8 N8 P8 -","4","1","","Schwamm, Ryan J.; Bhide, Malavika A.; Nichol, Gary S.; Cowley, Michael J.","Reversible addition of ethene to gallium(i) monomers and dimers.","Chemical science","2025","16","29","13333","13344","10.1039/d4sc06894g","","x-ray","0.71073","MoKα","","0.0588","0.0446","","","0.0763","0.0828","","","","","","1.081","","","","has coordinates,has disorder","301444","2025-08-04","08:10:25",""
"1575306","15.4213","0.0002","17.247","0.0003","31.7812","0.0005","90","","90","","90","","8452.9","0.2","120.01","0.1","120.01","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C45 H40 B F15 Ga N P -","- C45 H40 B F15 Ga N P -","- C360 H320 B8 F120 Ga8 N8 P8 -","8","1","","Schwamm, Ryan J.; Bhide, Malavika A.; Nichol, Gary S.; Cowley, Michael J.","Reversible addition of ethene to gallium(i) monomers and dimers.","Chemical science","2025","16","29","13333","13344","10.1039/d4sc06894g","","x-ray","0.71073","MoKα","","0.0526","0.0396","","","0.0877","0.0936","","","","","","1.074","","","","has coordinates,has disorder","301444","2025-08-04","08:10:25",""
"1575308","5.83723","0.00009","11.91509","0.00019","23.6848","0.0004","90","","90","","90","","1647.3","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O2 -","- C19 H23 N O2 -","- C76 H92 N4 O8 -","4","1","","Ali, Siraj Z.; Manno, Nicolás A; Shen, Jeff; Schenker, Alessia; Lipshultz, Jeffrey M.; White, Nicholas A.; Radosevich, Alexander T.","Nitrilation of carboxylic acids by P<sup>III</sup>/P<sup>V</sup>-catalysis.","Chemical science","2025","16","35","16145","16150","10.1039/d5sc05216e","","","1.54178","CuKα","","0.0323","0.0314","","","0.0809","0.0818","","","","","","1.051","","","","has coordinates","302527","2025-10-06","07:49:32",""
"1575309","10.405","0.002","11.265","0.002","11.901","0.002","103.318","0.005","104.698","0.005","109.45","0.005","1194.1","0.4","130","2","130","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H25 N O2 -","- C2.75 H2.08333 N0.0833333 O0.166667 -","- C66 H50 N2 O4 -","24","12","","Bera, Satyajit; Bhunia, Supriya; Dolai, Anirban; Box, Sk Majid; Das, Arpan; Samanta, Subhas","Arylpyrrolylidene-indanones as readily synthesised photoswitches offering dual- and single-colour fluorescence toggling with nearly quantitative <i>E</i>/<i>Z</i> isomerisation under visible light.","Chemical science","2025","16","35","16196","16204","10.1039/d5sc04551g","","","1.54178","CuKα","","0.0844","0.0801","","","0.2222","0.2289","","","","","","1.053","","","","has coordinates","302535","2025-10-06","07:55:17",""
"1575310","12.5474","0.0002","12.5474","0.0002","21.7649","0.0003","90","","90","","120","","2967.53","0.08","103","2","103","2","","","","","","","","5","R -3 :H","-R 3","148","","1a","","- C36 H36 Cu6 N6 S6 -","- C36 H36 Cu6 N6 S6 -","- C108 H108 Cu18 N18 S18 -","3","0.166667","","Toyama, Kazuki; Tanaka, Yuya; Yoshizawa, Michito","Multinuclear Cu <sub><i>n</i></sub> S <sub><i>m</i></sub> clusters encapsulated by aromatic micelles as aqueous red-to-NIR phosphorescent ink.","Chemical science","2025","16","36","16751","16756","10.1039/d5sc04122h","","x-ray","1.54184","CuKα","","0.0507","0.0505","","","0.1364","0.1364","","","","","","1.225","","","","has coordinates","302520","2025-10-06","07:47:38",""
"1575311","22.1291","0.0003","9.5391","0.0001","18.9461","0.0003","90","","94.215","0.001","90","","3988.55","0.09","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1c","","- C36 H36 Cu6 N6 S6 -","- C36 H36 Cu6 N6 S6 -","- C144 H144 Cu24 N24 S24 -","4","0.5","","Toyama, Kazuki; Tanaka, Yuya; Yoshizawa, Michito","Multinuclear Cu <sub><i>n</i></sub> S <sub><i>m</i></sub> clusters encapsulated by aromatic micelles as aqueous red-to-NIR phosphorescent ink.","Chemical science","2025","16","36","16751","16756","10.1039/d5sc04122h","","x-ray","1.54184","CuKα","","0.0247","0.0225","","","0.0585","0.0595","","","","","","1.053","","","","has coordinates","302520","2025-10-06","07:47:38",""
"1575312","20.1984","0.0005","6.0121","0.0005","29.4619","0.001","90","","92.317","0.003","90","","3574.8","0.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H18 F3 N O3 -","- C21 H18 F3 N O3 -","- C168 H144 F24 N8 O24 -","8","2","","Lin, Chuiyi; Zhang, Jiwu; Zhang, Zhihan; Chong, Qinglei; Meng, Fanke","Cobalt-catalyzed diastereo- and enantioselective reductive coupling of cyclobutenes and aldehydes through umpolung reactivity.","Chemical science","2025","16","35","16250","16258","10.1039/d5sc03755g","","","1.54184","CuKα","","0.0601","0.0551","","","0.1118","0.1138","","","","","","1.136","","","","has coordinates","302538","2025-10-06","07:56:39",""
"1575313","10.5121","0.0008","12.4941","0.0006","20.0428","0.0005","90","","90","","90","","2632.4","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H27 N O4 -","- C33 H27 N O4 -","- C132 H108 N4 O16 -","4","1","","Lin, Chuiyi; Zhang, Jiwu; Zhang, Zhihan; Chong, Qinglei; Meng, Fanke","Cobalt-catalyzed diastereo- and enantioselective reductive coupling of cyclobutenes and aldehydes through umpolung reactivity.","Chemical science","2025","16","35","16250","16258","10.1039/d5sc03755g","","","1.54184","CuKα","","0.0293","0.0275","","","0.0694","0.0702","","","","","","1.029","","","","has coordinates","302538","2025-10-06","07:56:40",""
"1575315","12.1313","0.0002","13.8706","0.0002","18.5739","0.0002","88.012","0.001","77.103","0.001","78.727","0.001","2987.65","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","BO-2DBT","","- C38 H33 B O2 S -","- C38 H33 B O2 S -","- C152 H132 B4 O8 S4 -","4","2","","Chen, Rui; Li, Shengyu; Huang, Hao; Tong, Xingwen; Liu, Yuchao; Ren, Zhongjie; Ying, Shian; Liu, Liqun; Yan, Shouke","Achieving high efficiency ultrapure violet OLEDs with a CIE <sub><i>y</i></sub> coordinate of below 0.015 through precise manipulation of peripheral heavy atom sulfur.","Chemical science","2025","16","35","16304","16313","10.1039/d5sc03546e","","x-ray","1.54184","CuKα","","0.0795","0.0711","","","0.2116","0.2232","","","","","","1.083","","","","has coordinates","302534","2025-10-06","07:54:58",""
"1575316","12.9176","0.0005","18.834","0.0005","13.4181","0.0005","90","","115.122","0.004","90","","2955.7","0.2","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","BO-4DBT","","- C38 H33 B O2 S -","- C38 H33 B O2 S -","- C152 H132 B4 O8 S4 -","4","1","","Chen, Rui; Li, Shengyu; Huang, Hao; Tong, Xingwen; Liu, Yuchao; Ren, Zhongjie; Ying, Shian; Liu, Liqun; Yan, Shouke","Achieving high efficiency ultrapure violet OLEDs with a CIE <sub><i>y</i></sub> coordinate of below 0.015 through precise manipulation of peripheral heavy atom sulfur.","Chemical science","2025","16","35","16304","16313","10.1039/d5sc03546e","","x-ray","0.71073","MoKα","","0.0856","0.0722","","","0.2022","0.2091","","","","","","1.131","","","","has coordinates","302534","2025-10-06","07:54:59",""
"1575337","16.1192","0.0018","8.7748","0.0011","13.7546","0.0018","90","","90","","90","","1945.5","0.4","273.15","","273.15","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C16 H12 D F5 N2 O5 S2 -","- C16 H12 D F5 N2 O5 S2 -","- C64 H48 D4 F20 N8 O20 S8 -","4","1","","Sun, Chao; Shen, Yinpu; Li, Heyin; Wang, Zhen; Li, Yifan; Huang, Mengjun; Zou, Zhenlei; Liu, Jing; Liu, Ao; Pan, Yi; Zhang, Weigang; Wang, Yi","A practical photocatalytic strategy for radical (deuterio)difluoromethylation using imidazolium reagents.","Chemical science","2025","16","35","16039","16046","10.1039/d5sc02691a","","","1.54178","CuKα","","0.0601","0.0591","","","0.1563","0.1574","","","","","","1.038","","","","has coordinates","302532","2025-10-06","07:51:59",""
"1575338","15.9978","0.0006","8.6598","0.0003","13.6748","0.0005","90","","90","","90","","1894.48","0.12","193","","193","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H13 F5 N2 O5 S2 -","- C16 H13 F5 N2 O5 S2 -","- C64 H52 F20 N8 O20 S8 -","4","1","","Sun, Chao; Shen, Yinpu; Li, Heyin; Wang, Zhen; Li, Yifan; Huang, Mengjun; Zou, Zhenlei; Liu, Jing; Liu, Ao; Pan, Yi; Zhang, Weigang; Wang, Yi","A practical photocatalytic strategy for radical (deuterio)difluoromethylation using imidazolium reagents.","Chemical science","2025","16","35","16039","16046","10.1039/d5sc02691a","","","0.71073","MoKα","","0.0572","0.0563","","","0.1136","0.1143","","","","","","1.211","","","","has coordinates","302532","2025-10-06","07:52:00",""
"1575339","18.6622","0.0013","18.6622","0.0013","21.2684","0.0016","90","","90","","90","","7407.3","0.9","296.15","","296.15","","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C12 H23 Co N4 O7 -","- C12 H17 Co N4 O4 -","- C192 H272 Co16 N64 O64 -","16","0.5","","Tang, Baobing; Yu, Xueyue; Li, Guanghua; Liu, Xin; Li, Jiantang; Liu, Yunling","Ambidextrous fine-tuning of zeolite-like hydrogen-bonded organic frameworks (HOFs) <i>via</i> scalable green synthesis for efficient biogas upgrading.","Chemical science","2025","16","41","19130","19139","10.1039/d5sc02892b","","","0.71073","MoKα","","0.0585","0.036","","","0.0989","0.1133","","","","","","1.012","","","","has coordinates,has disorder","303600","2025-11-29","18:15:39",""
"1575340","17.2801","0.0003","17.2801","0.0003","23.4245","0.0011","90","","90","","90","","6994.6","0.4","200","","200","","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C88 H120 Co8 N32 O32 -","- C88 H120 Co8 N32 O32 -","- C176 H240 Co16 N64 O64 -","2","0.0625","","Tang, Baobing; Yu, Xueyue; Li, Guanghua; Liu, Xin; Li, Jiantang; Liu, Yunling","Ambidextrous fine-tuning of zeolite-like hydrogen-bonded organic frameworks (HOFs) <i>via</i> scalable green synthesis for efficient biogas upgrading.","Chemical science","2025","16","41","19130","19139","10.1039/d5sc02892b","","","0.71073","MoKα","","0.0839","0.0712","","","0.2133","0.2286","","","","","","1.088","","","","has coordinates,has disorder","303600","2025-11-29","18:15:39",""
"1575353","40.3192","0.0008","12.8277","0.0002","18.5963","0.0003","90","","100.276","0.002","90","","9463.8","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H60 Ce F2 N4 O3 -","- C53 H60 Ce F2 N4 O3 -","- C424 H480 Ce8 F16 N32 O24 -","8","1","","Yang, Qiaomu; Yu, Xiaojuan; Lapsheva, Ekaterina; Pandey, Pragati; Smith, Patrick W.; Gupta, Himanshu; Gau, Michael R.; Carroll, Patrick J.; Minasian, Stefan G.; Autschbach, Jochen; Schelter, Eric J.","Comparison of Ce(iv)/Th(iv)-alkynyl complexes and observation of a <i>trans</i>-influence ligand series for Ce(iv).","Chemical science","2025","16","36","16597","16609","10.1039/d5sc03222a","","x-ray","0.71073","MoKα","","0.0521","0.0365","","","0.0879","0.0945","","","","","","1.064","","","","has coordinates,has disorder","302521","2025-10-06","07:47:56",""
"1575354","11.9331","0.0003","17.7463","0.0004","21.5867","0.0009","90","","92.847","0.003","90","","4565.7","0.2","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C39.5 H57 Cl3 N4 O3 Si Th -","- C39.5 H57 Cl3 N4 O3 Si Th -","- C158 H228 Cl12 N16 O12 Si4 Th4 -","4","2","","Yang, Qiaomu; Yu, Xiaojuan; Lapsheva, Ekaterina; Pandey, Pragati; Smith, Patrick W.; Gupta, Himanshu; Gau, Michael R.; Carroll, Patrick J.; Minasian, Stefan G.; Autschbach, Jochen; Schelter, Eric J.","Comparison of Ce(iv)/Th(iv)-alkynyl complexes and observation of a <i>trans</i>-influence ligand series for Ce(iv).","Chemical science","2025","16","36","16597","16609","10.1039/d5sc03222a","","x-ray","0.71073","MoKα","","0.0757","0.0601","","","0.1412","0.1475","","","","","","1.034","","","","has coordinates,has disorder","302521","2025-10-06","07:48:07",""
"1575355","9.6747","0.0002","24.1665","0.0005","18.4888","0.0004","90","","103.631","0.002","90","","4200.99","0.16","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40.75 H58.5 Ce N4 O3 Si -","- C40.75 H58.5 Ce N4 O3 Si -","- C163 H234 Ce4 N16 O12 Si4 -","4","1","","Yang, Qiaomu; Yu, Xiaojuan; Lapsheva, Ekaterina; Pandey, Pragati; Smith, Patrick W.; Gupta, Himanshu; Gau, Michael R.; Carroll, Patrick J.; Minasian, Stefan G.; Autschbach, Jochen; Schelter, Eric J.","Comparison of Ce(iv)/Th(iv)-alkynyl complexes and observation of a <i>trans</i>-influence ligand series for Ce(iv).","Chemical science","2025","16","36","16597","16609","10.1039/d5sc03222a","","x-ray","0.71073","MoKα","","0.0639","0.0555","","","0.1226","0.1254","","","","","","1.225","","","","has coordinates,has disorder","302521","2025-10-06","07:48:07",""
"1575356","5.4128","0.0004","8.147","0.0007","11.9744","0.0011","90","","90","","90","","528.05","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 S -","- C3 H7 N O2 S -","- C12 H28 N4 O8 S4 -","4","1","","Singh, Ashi; Avinash, Kiran; Pradhan, Amit Kumar; Prajapati, Aditya Kumar; Edwards, Alison J.; Thomas, Sajesh P.","Weak yet directional: supramolecular interactions of thiols unravelled by quantum crystallography.","Chemical science","2025","16","35","16016","16026","10.1039/d5sc04450b","","","0.71073","MoKα","","0.0142","0.0138","","","0.0306","0.0307","","","","","","1.1299","","","","has coordinates","302533","2025-10-06","07:54:12",""
"1575357","6.7946","0.0003","8.7946","0.0005","17.4457","0.0009","90","","90","","90","","1042.48","0.09","108","","108","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 N O3 S -","- C9 H15 N O3 S -","- C36 H60 N4 O12 S4 -","4","1","","Singh, Ashi; Avinash, Kiran; Pradhan, Amit Kumar; Prajapati, Aditya Kumar; Edwards, Alison J.; Thomas, Sajesh P.","Weak yet directional: supramolecular interactions of thiols unravelled by quantum crystallography.","Chemical science","2025","16","35","16016","16026","10.1039/d5sc04450b","","neutron","0.85","neutron","","0.0449","0.0519","","0.0212","0.0214","0.0212","","","","","","1.2196","","","","has coordinates","302533","2025-10-06","07:54:17",""
"1575358","5.0877","0.0002","5.8827","0.0002","6.5179","0.0002","96.464","0.001","103.867","0.001","102.09","0.001","182.448","0.011","288","1","288","1","","","","","","","","5","P 1","P 1","1","","","","- C5 H9 N O3 S -","- C5 H9 N O3 S -","- C5 H9 N O3 S -","1","1","","Singh, Ashi; Avinash, Kiran; Pradhan, Amit Kumar; Prajapati, Aditya Kumar; Edwards, Alison J.; Thomas, Sajesh P.","Weak yet directional: supramolecular interactions of thiols unravelled by quantum crystallography.","Chemical science","2025","16","35","16016","16026","10.1039/d5sc04450b","","","0.71073","MoKα","","0.0223","0.0209","","","0.0402","0.0411","","","","","","1.1446","","","","has coordinates","302533","2025-10-06","07:54:17",""
"1575359","9.4285","0.0008","10.0829","0.001","17.059","0.0018","97.899","0.004","90.41","0.003","115.472","0.003","1446.2","0.2","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H16 S -","- C19 H16 S -","- C76 H64 S4 -","4","2","","Singh, Ashi; Avinash, Kiran; Pradhan, Amit Kumar; Prajapati, Aditya Kumar; Edwards, Alison J.; Thomas, Sajesh P.","Weak yet directional: supramolecular interactions of thiols unravelled by quantum crystallography.","Chemical science","2025","16","35","16016","16026","10.1039/d5sc04450b","","neutron","0.85","neutron","","0.0652","0.0805","","0.0359","0.0385","0.0359","","","","","","1.3676","","","","has coordinates","302533","2025-10-06","07:54:17",""
"1575360","6.8342","0.0002","8.8143","0.0003","17.9688","0.0007","90","","90","","90","","1082.42","0.06","298","1","298","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 N O3 S -","- C9 H15 N O3 S -","- C36 H60 N4 O12 S4 -","4","1","","Singh, Ashi; Avinash, Kiran; Pradhan, Amit Kumar; Prajapati, Aditya Kumar; Edwards, Alison J.; Thomas, Sajesh P.","Weak yet directional: supramolecular interactions of thiols unravelled by quantum crystallography.","Chemical science","2025","16","35","16016","16026","10.1039/d5sc04450b","","","0.71073","MoKα","","0.0558","0.0385","","","0.087","0.099","","","","","","1.0493","","","","has coordinates,has disorder","302533","2025-10-06","07:54:17",""
"1575361","5.0339","0.0005","5.7865","0.0005","6.4524","0.0006","95.908","0.003","103.03","0.003","102.643","0.003","176.36","0.03","109","1","109","1","","","","","","","","5","P 1","P 1","1","","","","- C5 H9 N O3 S -","- C5 H9 N O3 S -","- C5 H9 N O3 S -","1","1","","Singh, Ashi; Avinash, Kiran; Pradhan, Amit Kumar; Prajapati, Aditya Kumar; Edwards, Alison J.; Thomas, Sajesh P.","Weak yet directional: supramolecular interactions of thiols unravelled by quantum crystallography.","Chemical science","2025","16","35","16016","16026","10.1039/d5sc04450b","","","0.71073","MoKα","","0.0125","0.0124","","","0.0251","0.0251","","","","","","1.0267","","","","has coordinates","302533","2025-10-06","07:54:17",""
"1575362","5.1467","0.0003","14.1643","0.0008","16.5915","0.001","90","","96.929","0.002","90","","1200.68","0.12","100","1","100","1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C4 H6 O4 S -","- C4 H6 O4 S -","- C32 H48 O32 S8 -","8","2","","Singh, Ashi; Avinash, Kiran; Pradhan, Amit Kumar; Prajapati, Aditya Kumar; Edwards, Alison J.; Thomas, Sajesh P.","Weak yet directional: supramolecular interactions of thiols unravelled by quantum crystallography.","Chemical science","2025","16","35","16016","16026","10.1039/d5sc04450b","","","0.71073","MoKα","","0.0404","0.0337","","","0.0618","0.0646","","","","","","1.0253","","","","has coordinates","302533","2025-10-06","07:54:17",""
"1575363","6.7827","0.0003","8.7826","0.0003","17.4217","0.0008","90","","90","","90","","1037.81","0.08","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 N O3 S -","- C9 H15 N O3 S -","- C36 H60 N4 O12 S4 -","4","1","","Singh, Ashi; Avinash, Kiran; Pradhan, Amit Kumar; Prajapati, Aditya Kumar; Edwards, Alison J.; Thomas, Sajesh P.","Weak yet directional: supramolecular interactions of thiols unravelled by quantum crystallography.","Chemical science","2025","16","35","16016","16026","10.1039/d5sc04450b","","","0.71073","MoKα","","0.018","0.0166","","","0.0304","0.0309","","","","","","1.059","","","","has coordinates","302533","2025-10-06","07:54:17",""
"1575364","3.8488","0.0005","6.0156","0.0006","14.45","0.0016","91.181","0.004","93.062","0.004","92.938","0.004","333.55","0.07","106","2","106","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H6 O2 S -","- C7 H6 O2 S -","- C14 H12 O4 S2 -","2","1","","Singh, Ashi; Avinash, Kiran; Pradhan, Amit Kumar; Prajapati, Aditya Kumar; Edwards, Alison J.; Thomas, Sajesh P.","Weak yet directional: supramolecular interactions of thiols unravelled by quantum crystallography.","Chemical science","2025","16","35","16016","16026","10.1039/d5sc04450b","","","0.71073","MoKα","","0.0262","0.0224","","","0.0482","0.05","","","","","","1.0837","","","","has coordinates","302533","2025-10-06","07:54:17",""
"1575365","7.8812","0.0005","5.9679","0.0004","15.0099","0.0011","90","","100.382","0.003","90","","694.42","0.08","305","1","305","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 O2 S -","- C7 H6 O2 S -","- C28 H24 O8 S4 -","4","1","","Singh, Ashi; Avinash, Kiran; Pradhan, Amit Kumar; Prajapati, Aditya Kumar; Edwards, Alison J.; Thomas, Sajesh P.","Weak yet directional: supramolecular interactions of thiols unravelled by quantum crystallography.","Chemical science","2025","16","35","16016","16026","10.1039/d5sc04450b","","","0.71073","MoKα","","0.0458","0.0325","","","0.0685","0.075","","","","","","1.1002","","","","has coordinates","302533","2025-10-06","07:54:17",""
"1575366","7.8323","0.0007","5.9007","0.0006","14.6472","0.0014","90","","100.346","0.004","90","","665.93","0.11","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 O2 S -","- C7 H6 O2 S -","- C28 H24 O8 S4 -","4","1","","Singh, Ashi; Avinash, Kiran; Pradhan, Amit Kumar; Prajapati, Aditya Kumar; Edwards, Alison J.; Thomas, Sajesh P.","Weak yet directional: supramolecular interactions of thiols unravelled by quantum crystallography.","Chemical science","2025","16","35","16016","16026","10.1039/d5sc04450b","","","0.71073","MoKα","","0.0215","0.0195","","","0.0406","0.0414","","","","","","1.1854","","","","has coordinates","302533","2025-10-06","07:54:17",""
"1575367","9.5965","0.0002","10.3127","0.0003","17.1393","0.0005","97.46","0.001","90.062","0.001","116.424","0.001","1502.82","0.07","300","1","300","1","","","","","","","","3","P -1","-P 1","2","","","","- C19 H16 S -","- C19 H16 S -","- C76 H64 S4 -","4","2","","Singh, Ashi; Avinash, Kiran; Pradhan, Amit Kumar; Prajapati, Aditya Kumar; Edwards, Alison J.; Thomas, Sajesh P.","Weak yet directional: supramolecular interactions of thiols unravelled by quantum crystallography.","Chemical science","2025","16","35","16016","16026","10.1039/d5sc04450b","","","0.71073","MoKα","","0.053","0.0333","","","0.0711","0.084","","","","","","1.0938","","","","has coordinates","302533","2025-10-06","07:54:17",""
"1575368","6.7946","0.0003","8.7946","0.0005","17.4457","0.0009","90","","90","","90","","1042.48","0.09","108","1","108","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 N O3 S -","- C9 H15 N O3 S -","- C36 H60 N4 O12 S4 -","4","1","","Singh, Ashi; Avinash, Kiran; Pradhan, Amit Kumar; Prajapati, Aditya Kumar; Edwards, Alison J.; Thomas, Sajesh P.","Weak yet directional: supramolecular interactions of thiols unravelled by quantum crystallography.","Chemical science","2025","16","35","16016","16026","10.1039/d5sc04450b","","","0.71073","MoKα","","0.0224","0.0203","","","0.0388","0.0395","","","","","","1.176","","","","has coordinates","302533","2025-10-06","07:54:17",""
"1575369","9.1293","0.0001","9.1293","0.0001","29.9464","0.0008","90","","90","","120","","2161.47","0.07","173","2","173","2","","","","","","","","5","P 31","P 31","144","","","","- C33 H29 Cl N2 O2 -","- C33 H29 Cl N2 O2 -","- C99 H87 Cl3 N6 O6 -","3","1","","Liu, Zhili; Ning, Lichao; Yang, Bingqian; Wang, Kaixuan; Lin, Lili; Feng, Xiaoming","Unveiling the migration reactivity of bicyclic diaziridines: enantioselective synthesis of chiral pyrazolines.","Chemical science","2025","16","36","16584","16589","10.1039/d5sc04846j","","","1.54178","CuKα","","0.0275","0.0269","","","0.0676","0.068","","","","","","1.044","","","","has coordinates","302519","2025-10-06","07:47:29",""
"1575397","16.14702","0.00014","26.9656","0.0002","9.27142","0.00009","90","","104.851","0.001","90","","3902.06","0.06","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H34 Cd N6 O5 -","- C50 H34 Cd N6 O5 -","- C200 H136 Cd4 N24 O20 -","4","1","","Yan, Xinyue; Song, Shi-Yu; Liang, Shicong; Liu, Kai-Kai; Liu, Xiao-Ting; Lu, Chao","Regulating through-space charge transfer interactions in donor-acceptor MOFs for thermally activated delayed fluorescence and X-ray scintillators.","Chemical science","2025","16","36","16770","16779","10.1039/d5sc02235e","","x-ray","1.54184","CuKα","","0.0262","0.0247","","","0.0659","0.0668","","","","","","1.039","","","","has coordinates","302523","2025-10-06","07:48:35",""
"1575398","27.35","0.0003","11.0237","0.0001","29.4404","0.0003","90","","90","","90","","8876.23","0.16","298.68","0.1","298.68","0.1","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C56 H34 Cd N6 O5 -","- C57 H34 Cd N6 O5 -","- C456 H272 Cd8 N48 O40 -","8","1","","Yan, Xinyue; Song, Shi-Yu; Liang, Shicong; Liu, Kai-Kai; Liu, Xiao-Ting; Lu, Chao","Regulating through-space charge transfer interactions in donor-acceptor MOFs for thermally activated delayed fluorescence and X-ray scintillators.","Chemical science","2025","16","36","16770","16779","10.1039/d5sc02235e","","x-ray","1.54178","CuKα","","0.0457","0.0449","","","0.1264","0.127","","","","","","1.075","","","","has coordinates","302523","2025-10-06","07:48:35",""
"1575399","11.2321","0.0001","18.6009","0.0002","21.5863","0.0002","84.55","0.001","89.837","0.001","79.411","0.001","4412.63","0.08","99.95","0.16","99.95","0.16","","","","","","","","5","P -1","-P 1","2","","","","- C104 H68 Cd2 N12 O10 -","- C104 H68 Cd2 N12 O10 -","- C208 H136 Cd4 N24 O20 -","2","1","","Yan, Xinyue; Song, Shi-Yu; Liang, Shicong; Liu, Kai-Kai; Liu, Xiao-Ting; Lu, Chao","Regulating through-space charge transfer interactions in donor-acceptor MOFs for thermally activated delayed fluorescence and X-ray scintillators.","Chemical science","2025","16","36","16770","16779","10.1039/d5sc02235e","","x-ray","1.54184","CuKα","","0.0771","0.0707","","","0.1949","0.2002","","","","","","1.061","","","","has coordinates,has disorder","302523","2025-10-06","07:48:35",""
"1575400","9.8918","0.0003","8.8858","0.0003","17.4486","0.0006","90","","99.352","0.001","90","","1513.29","0.09","20","","20","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[CoCl(Cl-tPy)]","","- C15 H10 Cl3 Co N3 -","- C15 H10 Cl6 Co2 N3 -","- C60 H40 Cl24 Co8 N12 -","4","1","","Slavensky, Hannah H.; Parmar, Vijay S.; Leiszner, Sofie S.; Thiel, Andreas M.; Lassen, Helene; Calder, Stuart; Kibalin, Iurii; Iversen, Bo B.","Experimental determination of the magnetic anisotropy in five-coordinated Co(ii) field-induced single molecule magnets.","Chemical science","2025","16","36","16610","16624","10.1039/d5sc03103f","","","0.2488","synchrotron","","0.0114","0.0093","","","","0.0136","0.0167","","","","","0.8733","","","","has coordinates","302522","2025-10-06","07:48:19",""
"1575401","10.8633","0.0003","8.393","0.0003","17.7573","0.0005","90","","102.09","0.001","90","","1583.12","0.08","20","","20","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Br2 Cl Co N3 -","- C15 H10 Br2 Cl Co N3 -","- C60 H40 Br8 Cl4 Co4 N12 -","4","1","","Slavensky, Hannah H.; Parmar, Vijay S.; Leiszner, Sofie S.; Thiel, Andreas M.; Lassen, Helene; Calder, Stuart; Kibalin, Iurii; Iversen, Bo B.","Experimental determination of the magnetic anisotropy in five-coordinated Co(ii) field-induced single molecule magnets.","Chemical science","2025","16","36","16610","16624","10.1039/d5sc03103f","","","0.2488","synchrotron","","0.014","0.0095","","","","0.0141","0.0135","","","","","0.8639","","","","has coordinates","302522","2025-10-06","07:48:19",""
"1575410","17.52","0.004","19.89","0.004","34.14","0.007","103.49","0.03","94.55","0.03","112.42","0.03","10505","5","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C258 H202 -","- C258 H202 -","- C516 H404 -","2","1","","Niu, Wenhui; Fang, Chi; Tang, Likun; Unsal, Elif; Fu, Yubin; Deka, Jitul; Liu, Fupin; Popov, Alexey A.; Wu, Fupeng; Shi, Huanhuan; Komber, Hartmut; Dianat, Arezoo; Gutierrez, Rafael; Ma, Ji; Sang, Yutao; Cuniberti, Gianaurelio; Parkin, Stuart S. P.","Lateral π-extended helical nanographenes with large spin polarization.","Chemical science","2025","16","45","21446","21453","10.1039/d5sc03887a","","","0.7749","synchrotron","","0.1765","0.0908","","","0.2354","0.2873","","","","","","0.936","","","","has coordinates","303664","2025-11-29","18:42:15",""
"1575461","14.0034","0.0011","14.5552","0.0011","14.8701","0.0011","71.802","0.006","77.731","0.006","88.727","0.006","2810.3","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C58 H82 Ag N5 Si2 -","- C58 H82 Ag N5 Si2 -","- C116 H164 Ag2 N10 Si4 -","2","1","","Sun, Xiaofei; Jin, Da; Yadav, Ravi; Kraetschmer, Frederic; Köppe, Ralf; Roesky, Peter W.","On-demand switching from mono-silylene to bis-silylene to access mono-, di- and mixed coinage metal complexes.","Chemical science","2025","16","35","16057","16062","10.1039/d5sc04287a","","x-ray","0.71073","MoKα","","0.0461","0.0329","","","0.0833","0.0864","","","","","","1.056","","","","has coordinates,has disorder","302528","2025-10-06","07:49:57",""
"1575462","23.348","0.006","13.839","0.004","25.682","0.009","90","","112.95","0.02","90","","7641","4","110","","110","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H85 Ag Au D24 N5 Si2 -","- C84 H85 Ag Au D24 N5 Si2 -","- C336 H340 Ag4 Au4 D96 N20 Si8 -","4","0.5","","Sun, Xiaofei; Jin, Da; Yadav, Ravi; Kraetschmer, Frederic; Köppe, Ralf; Roesky, Peter W.","On-demand switching from mono-silylene to bis-silylene to access mono-, di- and mixed coinage metal complexes.","Chemical science","2025","16","35","16057","16062","10.1039/d5sc04287a","","x-ray","0.71073","MoKα","","0.0766","0.0436","","","0.0898","0.1027","","","","","","1.017","","","","has coordinates,has disorder","302528","2025-10-06","07:49:57",""
"1575463","23.4582","0.0017","13.7319","0.0008","25.714","0.0019","90","","113.237","0.005","90","","7611.2","0.9","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H85 Au2 D24 N5 Si2 -","- C84 H85 Au2 D24 N5 Si2 -","- C336 H340 Au8 D96 N20 Si8 -","4","0.5","","Sun, Xiaofei; Jin, Da; Yadav, Ravi; Kraetschmer, Frederic; Köppe, Ralf; Roesky, Peter W.","On-demand switching from mono-silylene to bis-silylene to access mono-, di- and mixed coinage metal complexes.","Chemical science","2025","16","35","16057","16062","10.1039/d5sc04287a","","x-ray","0.71073","MoKα","","0.0495","0.0365","","","0.0941","0.0989","","","","","","1.046","","","","has coordinates,has disorder","302528","2025-10-06","07:49:57",""
"1575464","7.325","0.0003","8.2648","0.0004","13.297","0.0006","92.91","0.004","103.14","0.004","92.282","0.004","781.82","0.06","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H23 Au N2 -","- C16 H23 Au N2 -","- C32 H46 Au2 N4 -","2","1","","Sun, Xiaofei; Jin, Da; Yadav, Ravi; Kraetschmer, Frederic; Köppe, Ralf; Roesky, Peter W.","On-demand switching from mono-silylene to bis-silylene to access mono-, di- and mixed coinage metal complexes.","Chemical science","2025","16","35","16057","16062","10.1039/d5sc04287a","","x-ray","0.71073","MoKα","","0.0309","0.0285","","","0.0772","0.078","","","","","","1.142","","","","has coordinates","302528","2025-10-06","07:49:57",""
"1575465","12.4819","0.0019","15.9578","0.0012","16.797","0.0014","71.514","0.006","69.239","0.01","70.868","0.01","2878.2","0.6","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H74 Au D9 N5 Si2 -","- C60 H74 Au D9 N5 Si2 -","- C120 H148 Au2 D18 N10 Si4 -","2","1","","Sun, Xiaofei; Jin, Da; Yadav, Ravi; Kraetschmer, Frederic; Köppe, Ralf; Roesky, Peter W.","On-demand switching from mono-silylene to bis-silylene to access mono-, di- and mixed coinage metal complexes.","Chemical science","2025","16","35","16057","16062","10.1039/d5sc04287a","","x-ray","0.71073","MoKα","","0.0353","0.0294","","","0.0713","0.0736","","","","","","1.038","","","","has coordinates,has disorder","302528","2025-10-06","07:49:57",""
"1575466","13.0057","0.001","25.263","0.002","17.7227","0.0015","90","","98.425","0.006","90","","5760.2","0.8","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H85 Ag2 N5 Si2 -","- C60 H85 Ag2 N5 Si2 -","- C240 H340 Ag8 N20 Si8 -","4","1","","Sun, Xiaofei; Jin, Da; Yadav, Ravi; Kraetschmer, Frederic; Köppe, Ralf; Roesky, Peter W.","On-demand switching from mono-silylene to bis-silylene to access mono-, di- and mixed coinage metal complexes.","Chemical science","2025","16","35","16057","16062","10.1039/d5sc04287a","","","1.34143","GaKα","","0.0315","0.0232","","","0.0561","0.0576","","","","","","0.952","","","","has coordinates,has disorder","302528","2025-10-06","07:49:57",""
"1575467","39.2308","0.0009","18.5805","0.0003","21.8747","0.0005","90","","105.85","0.002","90","","15338.8","0.6","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H109 Au2 N5 Si2 -","- C60 H85 Au2 N5 Si2 -","- C480 H680 Au16 N40 Si16 -","8","1","","Sun, Xiaofei; Jin, Da; Yadav, Ravi; Kraetschmer, Frederic; Köppe, Ralf; Roesky, Peter W.","On-demand switching from mono-silylene to bis-silylene to access mono-, di- and mixed coinage metal complexes.","Chemical science","2025","16","35","16057","16062","10.1039/d5sc04287a","","x-ray","0.71073","MoKα","","0.0678","0.0596","","","0.1433","0.1486","","","","","","1.068","","","","has coordinates","302528","2025-10-06","07:49:57",""
"1575468","9.8944","0.0004","10.078","0.0004","27.6271","0.0011","90","","90","","90","","2754.86","0.19","120.01","0.1","120.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H18 I N O3 -","- C12 H18 I N O3 -","- C96 H144 I8 N8 O24 -","8","1","","Hakkarainen, Eetu; Lin, Hao-Cheng; Nechaev, Anton A.; Peshkov, Vsevolod A.; Eskelinen, Toni; Chang, Kai-Hsin; Liao, Tzu-Hao; Chen, Po-Yu; Koshevoy, Igor O.; Lin, Hao-Wu; Chou, Pi-Tai; Belyaev, Andrey","Metal-free pyridinium salts with strong room-temperature phosphorescence and microsecond radiative lifetime.","Chemical science","2025","16","37","17261","17267","10.1039/d5sc03813h","","x-ray","0.71073","MoKα","","0.0347","0.025","","","0.0631","0.0671","","","","","","1.063","","","","has coordinates","302483","2025-10-06","07:33:58",""
"1575469","8.5894","0.0002","16.0241","0.0004","10.5135","0.0003","90","","92.256","0.002","90","","1445.93","0.06","120.01","0.1","120.01","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H20 I N O3 -","- C13 H20 I N O3 -","- C52 H80 I4 N4 O12 -","4","1","","Hakkarainen, Eetu; Lin, Hao-Cheng; Nechaev, Anton A.; Peshkov, Vsevolod A.; Eskelinen, Toni; Chang, Kai-Hsin; Liao, Tzu-Hao; Chen, Po-Yu; Koshevoy, Igor O.; Lin, Hao-Wu; Chou, Pi-Tai; Belyaev, Andrey","Metal-free pyridinium salts with strong room-temperature phosphorescence and microsecond radiative lifetime.","Chemical science","2025","16","37","17261","17267","10.1039/d5sc03813h","","x-ray","0.71073","MoKα","","0.0188","0.0181","","","0.0414","0.0419","","","","","","1.043","","","","has coordinates","302483","2025-10-06","07:34:00",""
"1575470","9.09315","0.00015","8.55139","0.00012","11.5954","0.0002","90","","106.709","0.0019","90","","863.58","0.03","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 I N -","- C7 H10 I N -","- C28 H40 I4 N4 -","4","1","","Hakkarainen, Eetu; Lin, Hao-Cheng; Nechaev, Anton A.; Peshkov, Vsevolod A.; Eskelinen, Toni; Chang, Kai-Hsin; Liao, Tzu-Hao; Chen, Po-Yu; Koshevoy, Igor O.; Lin, Hao-Wu; Chou, Pi-Tai; Belyaev, Andrey","Metal-free pyridinium salts with strong room-temperature phosphorescence and microsecond radiative lifetime.","Chemical science","2025","16","37","17261","17267","10.1039/d5sc03813h","","x-ray","1.54184","CuKα","","0.0366","0.0349","","","0.0976","0.1012","","","","","","0.839","","","","has coordinates","302483","2025-10-06","07:34:04",""
"1575471","6.6275","0.0001","11.3005","0.0001","14.8296","0.0002","90","","98.507","0.001","90","","1098.43","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H14 I N O3 -","- C9 H14 I N O3 -","- C36 H56 I4 N4 O12 -","4","1","","Hakkarainen, Eetu; Lin, Hao-Cheng; Nechaev, Anton A.; Peshkov, Vsevolod A.; Eskelinen, Toni; Chang, Kai-Hsin; Liao, Tzu-Hao; Chen, Po-Yu; Koshevoy, Igor O.; Lin, Hao-Wu; Chou, Pi-Tai; Belyaev, Andrey","Metal-free pyridinium salts with strong room-temperature phosphorescence and microsecond radiative lifetime.","Chemical science","2025","16","37","17261","17267","10.1039/d5sc03813h","","x-ray","1.54184","CuKα","","0.0234","0.0229","","","0.0639","0.0644","","","","","","1.091","","","","has coordinates","302483","2025-10-06","07:34:05",""
"1575472","9.2772","0.0001","16.3448","0.0002","7.9435","0.0001","90","","99.375","0.001","90","","1188.42","0.02","120","0.1","120","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 Br N O3 -","- C11 H16 Br N O3 -","- C44 H64 Br4 N4 O12 -","4","1","","Hakkarainen, Eetu; Lin, Hao-Cheng; Nechaev, Anton A.; Peshkov, Vsevolod A.; Eskelinen, Toni; Chang, Kai-Hsin; Liao, Tzu-Hao; Chen, Po-Yu; Koshevoy, Igor O.; Lin, Hao-Wu; Chou, Pi-Tai; Belyaev, Andrey","Metal-free pyridinium salts with strong room-temperature phosphorescence and microsecond radiative lifetime.","Chemical science","2025","16","37","17261","17267","10.1039/d5sc03813h","","x-ray","1.54184","CuKα","","0.0278","0.0248","","","0.0642","0.0657","","","","","","1.063","","","","has coordinates","302483","2025-10-06","07:34:05",""
"1575473","14.3171","0.0004","10.7495","0.0004","8.9701","0.0002","90","","90.739","0.002","90","","1380.4","0.07","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 I N O3 -","- C12 H18 I N O3 -","- C48 H72 I4 N4 O12 -","4","1","","Hakkarainen, Eetu; Lin, Hao-Cheng; Nechaev, Anton A.; Peshkov, Vsevolod A.; Eskelinen, Toni; Chang, Kai-Hsin; Liao, Tzu-Hao; Chen, Po-Yu; Koshevoy, Igor O.; Lin, Hao-Wu; Chou, Pi-Tai; Belyaev, Andrey","Metal-free pyridinium salts with strong room-temperature phosphorescence and microsecond radiative lifetime.","Chemical science","2025","16","37","17261","17267","10.1039/d5sc03813h","","x-ray","1.54184","CuKα","","0.0651","0.0617","","","0.162","0.1656","","","","","","1.036","","","","has coordinates,has disorder","302483","2025-10-06","07:34:05",""
"1575474","6.3438","0.0002","12.3508","0.0004","15.0717","0.0004","90","","98.931","0.003","90","","1166.57","0.06","120","11","120","11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H64 I4 N4 O12 -","- C40 H64 I4 N4 O12 -","- C40 H64 I4 N4 O12 -","1","0.25","","Hakkarainen, Eetu; Lin, Hao-Cheng; Nechaev, Anton A.; Peshkov, Vsevolod A.; Eskelinen, Toni; Chang, Kai-Hsin; Liao, Tzu-Hao; Chen, Po-Yu; Koshevoy, Igor O.; Lin, Hao-Wu; Chou, Pi-Tai; Belyaev, Andrey","Metal-free pyridinium salts with strong room-temperature phosphorescence and microsecond radiative lifetime.","Chemical science","2025","16","37","17261","17267","10.1039/d5sc03813h","","x-ray","0.71073","MoKα","","0.0269","0.0225","","","0.0517","0.0535","","","","","","1.049","","","","has coordinates","302483","2025-10-06","07:34:05",""
"1575475","8.9463","0.0001","12.7534","0.0003","17.3129","0.0003","105.939","0.002","93.744","0.002","94.017","0.001","1887.35","0.06","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H38 I2 N2 O6 -","- C30 H38 I2 N2 O6 -","- C60 H76 I4 N4 O12 -","2","1","","Hakkarainen, Eetu; Lin, Hao-Cheng; Nechaev, Anton A.; Peshkov, Vsevolod A.; Eskelinen, Toni; Chang, Kai-Hsin; Liao, Tzu-Hao; Chen, Po-Yu; Koshevoy, Igor O.; Lin, Hao-Wu; Chou, Pi-Tai; Belyaev, Andrey","Metal-free pyridinium salts with strong room-temperature phosphorescence and microsecond radiative lifetime.","Chemical science","2025","16","37","17261","17267","10.1039/d5sc03813h","","x-ray","1.54184","CuKα","","0.0804","0.0697","","","0.1966","0.2054","","","","","","1.094","","","","has coordinates,has disorder","302483","2025-10-06","07:34:05",""
"1575476","15.38142","0.00013","9.39589","0.00008","27.96","0.0002","90","","104.793","0.0009","90","","3906.9","0.06","120","0.1","120","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H88 Cl4 I4 N4 O12 -","- C74 H88 Cl4 I4 N4 O12 -","- C148 H176 Cl8 I8 N8 O24 -","2","0.5","","Hakkarainen, Eetu; Lin, Hao-Cheng; Nechaev, Anton A.; Peshkov, Vsevolod A.; Eskelinen, Toni; Chang, Kai-Hsin; Liao, Tzu-Hao; Chen, Po-Yu; Koshevoy, Igor O.; Lin, Hao-Wu; Chou, Pi-Tai; Belyaev, Andrey","Metal-free pyridinium salts with strong room-temperature phosphorescence and microsecond radiative lifetime.","Chemical science","2025","16","37","17261","17267","10.1039/d5sc03813h","","x-ray","1.54184","CuKα","","0.0419","0.0375","","","0.0995","0.1033","","","","","","1.026","","","","has coordinates","302483","2025-10-06","07:34:05",""
"1575477","7.7243","0.0003","7.7243","0.0003","6.2204","0.0004","90","","90","","120","","321.42","0.03","293","","293","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Ga2 In3 K S8 -","- Ga2 In3 K S8 -","- Ga2 In3 K S8 -","1","0.0833333","","Xie, Yun; Yao, Wen-Dong; Du, Qiu-Yang; Zhou, Wenfeng; Suen, Nian-Tzu; Liu, Wenlong; Guo, Sheng-Ping","From NaSc<sub>3</sub>Ga<sub>2</sub>Q<sub>8</sub> (Q = S, Se) to KGa<sub>2</sub>In<sub>3</sub>S<sub>8</sub>: substitution of Sc<sup>3+</sup> with In<sup>3+</sup> to achieve doubled birefringence.","Chemical science","2025","16","37","17207","17213","10.1039/d5sc03501e","","","0.71073","MoKα","","0.0226","0.0225","","","0.0619","0.062","","","","","","1.157","","","","has coordinates","302486","2025-10-06","07:35:13",""
"1575478","7.6307","0.0003","7.6307","0.0003","6.1118","0.0003","90","","90","","120","","308.2","0.02","293","","293","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Ga2 Na S8 Sc3 -","- Ga2 Na S8 Sc3 -","- Ga2 Na S8 Sc3 -","1","0.0833333","","Xie, Yun; Yao, Wen-Dong; Du, Qiu-Yang; Zhou, Wenfeng; Suen, Nian-Tzu; Liu, Wenlong; Guo, Sheng-Ping","From NaSc<sub>3</sub>Ga<sub>2</sub>Q<sub>8</sub> (Q = S, Se) to KGa<sub>2</sub>In<sub>3</sub>S<sub>8</sub>: substitution of Sc<sup>3+</sup> with In<sup>3+</sup> to achieve doubled birefringence.","Chemical science","2025","16","37","17207","17213","10.1039/d5sc03501e","","","0.71073","MoKα","","0.0096","0.0095","","","0.0258","0.0258","","","","","","1.291","","","","has coordinates","302486","2025-10-06","07:35:13",""
"1575479","7.9489","0.0004","7.9489","0.0004","6.4065","0.0004","90","","90","","120","","350.56","0.03","293","","293","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Ga2 Na Sc3 Se8 -","- Ga2 Na Sc3 Se8 -","- Ga2 Na Sc3 Se8 -","1","0.0833333","","Xie, Yun; Yao, Wen-Dong; Du, Qiu-Yang; Zhou, Wenfeng; Suen, Nian-Tzu; Liu, Wenlong; Guo, Sheng-Ping","From NaSc<sub>3</sub>Ga<sub>2</sub>Q<sub>8</sub> (Q = S, Se) to KGa<sub>2</sub>In<sub>3</sub>S<sub>8</sub>: substitution of Sc<sup>3+</sup> with In<sup>3+</sup> to achieve doubled birefringence.","Chemical science","2025","16","37","17207","17213","10.1039/d5sc03501e","","","0.71073","MoKα","","0.0144","0.0129","","","0.0302","0.0307","","","","","","1.249","","","","has coordinates","302486","2025-10-06","07:35:13",""
"1575505","14.3647","0.0002","14.9049","0.0002","16.6539","0.0002","90","","114.959","0.002","90","","3232.68","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 Au F3 N2 Se -","- C34 H40 Au F3 N2 Se -","- C136 H160 Au4 F12 N8 Se4 -","4","1","","Arnaut, Pierre; Pozsoni, Nestor Bracho; Bondar, Denys; Lippmann, Petra; Boschuk, Susanne; Semenyuta, Ivan; Bhandary, Subhrajyoti; Van Hecke, Kristof; Karpichev, Yevgen; Cavarzerani, Enrico; Canzonieri, Vincenzo; Rizzolio, Flavio; Scattolin, Thomas; Vougioukalakis, Georgios C.; Ott, Ingo; Tzouras, Nikolaos V.; Nolan, Steven P.","A new generation of N-heterocyclic carbene (NHC) gold-selenolato complexes as potent anticancer agents: distinct synthetic routes and evaluation in 2D and 3D cancer models.","Chemical science","2025","16","37","17221","17231","10.1039/d5sc04490a","","x-ray","1.54184","CuKα","","0.036","0.0286","","","0.0649","0.0683","","","","","","1.026","","","","has coordinates,has disorder","302479","2025-10-06","07:30:49",""
"1575506","16.2159","0.0001","12.088","0.0001","19.2106","0.0001","90","","100.741","0.001","90","","3699.64","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H57 Au N2 Se -","- C41 H57 Au N2 Se -","- C164 H228 Au4 N8 Se4 -","4","1","","Arnaut, Pierre; Pozsoni, Nestor Bracho; Bondar, Denys; Lippmann, Petra; Boschuk, Susanne; Semenyuta, Ivan; Bhandary, Subhrajyoti; Van Hecke, Kristof; Karpichev, Yevgen; Cavarzerani, Enrico; Canzonieri, Vincenzo; Rizzolio, Flavio; Scattolin, Thomas; Vougioukalakis, Georgios C.; Ott, Ingo; Tzouras, Nikolaos V.; Nolan, Steven P.","A new generation of N-heterocyclic carbene (NHC) gold-selenolato complexes as potent anticancer agents: distinct synthetic routes and evaluation in 2D and 3D cancer models.","Chemical science","2025","16","37","17221","17231","10.1039/d5sc04490a","","x-ray","1.54184","CuKα","","0.0221","0.0204","","","0.0494","0.0501","","","","","","1.065","","","","has coordinates","302479","2025-10-06","07:30:52",""
"1575507","8.7144","0.0002","20.8566","0.0004","20.6486","0.0004","90","","97.971","0.002","90","","3716.68","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H45 Au N2 Se -","- C43 H45 Au N2 Se -","- C172 H180 Au4 N8 Se4 -","4","1","","Arnaut, Pierre; Pozsoni, Nestor Bracho; Bondar, Denys; Lippmann, Petra; Boschuk, Susanne; Semenyuta, Ivan; Bhandary, Subhrajyoti; Van Hecke, Kristof; Karpichev, Yevgen; Cavarzerani, Enrico; Canzonieri, Vincenzo; Rizzolio, Flavio; Scattolin, Thomas; Vougioukalakis, Georgios C.; Ott, Ingo; Tzouras, Nikolaos V.; Nolan, Steven P.","A new generation of N-heterocyclic carbene (NHC) gold-selenolato complexes as potent anticancer agents: distinct synthetic routes and evaluation in 2D and 3D cancer models.","Chemical science","2025","16","37","17221","17231","10.1039/d5sc04490a","","x-ray","1.54184","CuKα","","0.0369","0.0285","","","0.0643","0.0677","","","","","","1.061","","","","has coordinates","302479","2025-10-06","07:31:02",""
"1575508","16.7867","0.0002","12.45932","0.00018","14.675","0.0003","90","","90","","90","","3069.29","0.09","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C33 H43 Au N2 Se -","- C33 H43 Au N2 Se -","- C132 H172 Au4 N8 Se4 -","4","1","","Arnaut, Pierre; Pozsoni, Nestor Bracho; Bondar, Denys; Lippmann, Petra; Boschuk, Susanne; Semenyuta, Ivan; Bhandary, Subhrajyoti; Van Hecke, Kristof; Karpichev, Yevgen; Cavarzerani, Enrico; Canzonieri, Vincenzo; Rizzolio, Flavio; Scattolin, Thomas; Vougioukalakis, Georgios C.; Ott, Ingo; Tzouras, Nikolaos V.; Nolan, Steven P.","A new generation of N-heterocyclic carbene (NHC) gold-selenolato complexes as potent anticancer agents: distinct synthetic routes and evaluation in 2D and 3D cancer models.","Chemical science","2025","16","37","17221","17231","10.1039/d5sc04490a","","x-ray","1.54184","CuKα","","0.0639","0.0502","","","0.1156","0.1244","","","","","","1.036","","","","has coordinates","302479","2025-10-06","07:31:12",""
"1575509","24.2212","0.0007","13.1556","0.0004","24.2421","0.0008","90","","114.608","0.002","90","","7023","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","MB043","","- C55 H105 N O2 S Sb2 Si8 -","- C55 H105 N O2 S Sb2 Si8 -","- C220 H420 N4 O8 S4 Sb8 Si32 -","4","1","","Palui, Prasenjit; Bollenbeck, Matthias; Meleschko, Daniel; Brehm, Philipp; Gomila, Rosa M.; Schnakenburg, Gregor; Frontera, Antonio; Bismuto, Alessandro","Azadistibiridines and stabilised-iminobismuthane: reactivity of small inorganic rings in heavy main group chemistry.","Chemical science","2025","16","36","16894","16903","10.1039/d5sc03416g","","x-ray","0.71073","MoKα","","0.0878","0.0494","","","0.1072","0.1235","","","","","","1.001","","","","has coordinates","302518","2025-10-06","07:47:14",""
"1575510","24.8225","0.0013","13.0211","0.0006","24.1973","0.0012","90","","116.486","0.002","90","","7000.1","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","PP-TR75","","- C51 H107 N Sb2 Si9 -","- C51 H107 N Sb2.0002 Si9 -","- C204 H428 N4 Sb8.0008 Si36 -","4","1","","Palui, Prasenjit; Bollenbeck, Matthias; Meleschko, Daniel; Brehm, Philipp; Gomila, Rosa M.; Schnakenburg, Gregor; Frontera, Antonio; Bismuto, Alessandro","Azadistibiridines and stabilised-iminobismuthane: reactivity of small inorganic rings in heavy main group chemistry.","Chemical science","2025","16","36","16894","16903","10.1039/d5sc03416g","","x-ray","0.71073","MoKα","","0.0425","0.0338","","","0.0857","0.0922","","","","","","1.044","","","","has coordinates,has disorder","302518","2025-10-06","07:47:15",""
"1575511","8.785","0.004","13.602","0.005","40.116","0.016","90","","95.571","0.012","90","","4771","3","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","PP-197","","- C38 H68 Bi N3 O2 S Si4 -","- C38 H68 Bi N3 O2 S Si4 -","- C152 H272 Bi4 N12 O8 S4 Si16 -","4","1","","Palui, Prasenjit; Bollenbeck, Matthias; Meleschko, Daniel; Brehm, Philipp; Gomila, Rosa M.; Schnakenburg, Gregor; Frontera, Antonio; Bismuto, Alessandro","Azadistibiridines and stabilised-iminobismuthane: reactivity of small inorganic rings in heavy main group chemistry.","Chemical science","2025","16","36","16894","16903","10.1039/d5sc03416g","","x-ray","0.71073","MoKα","","0.1318","0.0861","","","0.1783","0.205","","","","","","1.034","","","","has coordinates","302518","2025-10-06","07:47:15",""
"1575512","20.7931","0.0004","13.6137","0.0002","27.7062","0.0004","90","","108.868","0.001","90","","7421.4","0.2","123","","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","DM-PP-20","","- C106 H224 Br4 Ge2 N2 O Sb4 Si18 -","- C106 H224 Br4 Ge2 N2 O Sb4 Si18 -","- C212 H448 Br8 Ge4 N4 O2 Sb8 Si36 -","2","0.5","","Palui, Prasenjit; Bollenbeck, Matthias; Meleschko, Daniel; Brehm, Philipp; Gomila, Rosa M.; Schnakenburg, Gregor; Frontera, Antonio; Bismuto, Alessandro","Azadistibiridines and stabilised-iminobismuthane: reactivity of small inorganic rings in heavy main group chemistry.","Chemical science","2025","16","36","16894","16903","10.1039/d5sc03416g","","","0.71073","MoKα","","0.0694","0.0536","","","0.1297","0.1474","","","","","","1.093","","","","has coordinates,has disorder","302518","2025-10-06","07:47:15",""
"1575513","19.4116","0.0006","12.4085","0.0003","28.9774","0.001","90","","91.222","0.001","90","","6978.2","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","MB036","","- C54 H103 N Sb2 Si8 -","- C54 H103 N Sb2 Si8 -","- C216 H412 N4 Sb8 Si32 -","4","1","","Palui, Prasenjit; Bollenbeck, Matthias; Meleschko, Daniel; Brehm, Philipp; Gomila, Rosa M.; Schnakenburg, Gregor; Frontera, Antonio; Bismuto, Alessandro","Azadistibiridines and stabilised-iminobismuthane: reactivity of small inorganic rings in heavy main group chemistry.","Chemical science","2025","16","36","16894","16903","10.1039/d5sc03416g","","x-ray","0.71073","MoKα","","0.0395","0.0299","","","0.0662","0.0709","","","","","","1.05","","","","has coordinates","302518","2025-10-06","07:47:15",""
"1575514","20.3099","0.001","13.9032","0.0004","28.5661","0.0012","90","","106.583","0.004","90","","7730.8","0.6","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","MBO68","","- C62 H112 Bi2 N2 O4 S2 Si8 -","- C62 H112 Bi2 N2 O4 S2 Si8 -","- C248 H448 Bi8 N8 O16 S8 Si32 -","4","1","","Palui, Prasenjit; Bollenbeck, Matthias; Meleschko, Daniel; Brehm, Philipp; Gomila, Rosa M.; Schnakenburg, Gregor; Frontera, Antonio; Bismuto, Alessandro","Azadistibiridines and stabilised-iminobismuthane: reactivity of small inorganic rings in heavy main group chemistry.","Chemical science","2025","16","36","16894","16903","10.1039/d5sc03416g","","","0.71073","MoKα","","0.1007","0.0611","","","0.1116","0.1319","","","","","","1.081","","","","has coordinates,has disorder","302518","2025-10-06","07:47:15",""
"1575515","17.8015","0.0006","12.3747","0.0004","34.4746","0.0012","90","","100.931","0.001","90","","7456.6","0.4","103","","103","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","MB037","","- C62 H123 N O Sb2 Si8 -","- C62 H123 N O Sb2 Si8 -","- C248 H492 N4 O4 Sb8 Si32 -","4","1","","Palui, Prasenjit; Bollenbeck, Matthias; Meleschko, Daniel; Brehm, Philipp; Gomila, Rosa M.; Schnakenburg, Gregor; Frontera, Antonio; Bismuto, Alessandro","Azadistibiridines and stabilised-iminobismuthane: reactivity of small inorganic rings in heavy main group chemistry.","Chemical science","2025","16","36","16894","16903","10.1039/d5sc03416g","","x-ray","0.71073","MoKα","","0.0685","0.0642","","","0.1347","0.1364","","","","","","1.316","","","","has coordinates,has disorder","302518","2025-10-06","07:47:15",""
"1575516","39.5906","0.0007","7.1713","0.0001","7.6423","0.0001","90","","90","","90","","2169.77","0.06","113","","113","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H22 N2 S2 -","- C28 H22 N2 S2 -","- C112 H88 N8 S8 -","4","1","","Oketani, Ryusei; Okada, Musashi; Takaji, Kentaro; Shigemitsu, Hajime; Kida, Toshiyuki; Nakashima, Takuya; Hisaki, Ichiro","Spontaneous chiral symmetry breaking in a single crystal.","Chemical science","2025","16","38","17621","17629","10.1039/d5sc02623g","","x-ray","0.71073","MoKα","","0.046","0.0423","","","0.0942","0.0962","","","","","","1.075","","","","has coordinates,has disorder","302557","2025-10-06","08:05:19",""
"1575517","8.5534","0.0003","5.53","0.0002","22.8598","0.0007","90","","94.991","0.003","90","","1077.18","0.06","113","","113","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H22 N2 S2 -","- C28 H22 N2 S2 -","- C56 H44 N4 S4 -","2","1","","Oketani, Ryusei; Okada, Musashi; Takaji, Kentaro; Shigemitsu, Hajime; Kida, Toshiyuki; Nakashima, Takuya; Hisaki, Ichiro","Spontaneous chiral symmetry breaking in a single crystal.","Chemical science","2025","16","38","17621","17629","10.1039/d5sc02623g","","x-ray","0.71073","MoKα","","0.0798","0.0688","","","0.1778","0.1881","","","","","","1.095","","","","has coordinates,has disorder","302557","2025-10-06","08:05:21",""
"1575518","11.1668","0.0005","6.0924","0.0003","11.7374","0.0006","90","","91.622","0.004","90","","798.21","0.07","97","","97","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 O4 -","- C8 H10 O4 -","- C32 H40 O16 -","4","1","","Kohsaka, Yasuhiro; Yoshida, Taichi; Nishiie, Natsumi","Poly(bridged bicycle)s synthesized via cyclopolymerization of cyclic diacrylates","Polymer Chemistry","2025","16","36","4009","4012","10.1039/D5PY00631G","","x-ray","0.71073","MoKα","","0.0329","0.0312","","","0.0763","0.0775","","","","","","1.079","","","","has coordinates","302796","2025-10-06","10:40:15",""
"1575519","14.0831","0.0013","15.5331","0.0014","17.9383","0.0012","90","","90","","90","","3924.1","0.6","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C22 H12 O8 -","- C22 H14 O8 -","- C176 H112 O64 -","8","1","","Kohsaka, Yasuhiro; Yoshida, Taichi; Nishiie, Natsumi","Poly(bridged bicycle)s synthesized via cyclopolymerization of cyclic diacrylates","Polymer Chemistry","2025","16","36","4009","4012","10.1039/D5PY00631G","","x-ray","0.71073","MoKα","","0.2346","0.0819","","","0.2052","0.3056","","","","","","0.927","","","","has coordinates","302796","2025-10-06","10:40:15",""
"1575520","6.3393","0.0011","8.153","0.003","9.439","0.004","78.55","0.03","86.14","0.02","79.3","0.02","469.6","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C9 H13 O4 -","- C9 H12 O4 -","- C18 H24 O8 -","2","1","","Kohsaka, Yasuhiro; Yoshida, Taichi; Nishiie, Natsumi","Poly(bridged bicycle)s synthesized via cyclopolymerization of cyclic diacrylates","Polymer Chemistry","2025","16","36","4009","4012","10.1039/D5PY00631G","","x-ray","0.71073","MoKα","","0.2254","0.0897","","","0.2317","0.2977","","","","","","0.821","","","","has coordinates","302796","2025-10-06","10:40:15",""
"1575521","11.1596","0.0005","11.4928","0.0005","15.7244","0.0007","90.689","0.004","97.872","0.004","90.376","0.004","1997.52","0.15","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H130 B2 N16 O2 Ti2 -","- C78 H130 B2 N16 O2 Ti2 -","- C78 H130 B2 N16 O2 Ti2 -","1","0.5","","G Jafari, Mehrafshan; Fehn, Dominik; Sandoval-Pauker, Christian; Gau, Michael R.; Meyer, Karsten; Pinter, Balazs; Mindiola, Daniel J.; Reinholdt, Anders","A titanium redox-switch enables reversible C-C bond forming and splitting reactions.","Chemical science","2025","16","38","17714","17724","10.1039/d5sc04824a","","x-ray","0.71073","MoKα","","0.1392","0.0849","","","0.1883","0.2065","","","","","","1.119","","","","has coordinates,has disorder","302560","2025-10-06","08:05:57",""
"1575522","14.091","0.0002","14.8091","0.0002","16.4769","0.0002","99.925","0.001","92.301","0.001","94.201","0.001","3372.88","0.08","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C134 H150 B4 F40 N16 O4 Ti2 -","- C134 H150 B4 F40 N16 O4 Ti2 -","- C134 H150 B4 F40 N16 O4 Ti2 -","1","0.5","","G Jafari, Mehrafshan; Fehn, Dominik; Sandoval-Pauker, Christian; Gau, Michael R.; Meyer, Karsten; Pinter, Balazs; Mindiola, Daniel J.; Reinholdt, Anders","A titanium redox-switch enables reversible C-C bond forming and splitting reactions.","Chemical science","2025","16","38","17714","17724","10.1039/d5sc04824a","","x-ray","1.54184","CuKα","","0.0727","0.0614","","","0.1714","0.1809","","","","","","1.043","","","","has coordinates,has disorder","302560","2025-10-06","08:05:57",""
"1575523","11.9108","0.0002","12.6051","0.0002","24.0379","0.0005","104.569","0.0018","90.2187","0.0018","118.154","0.002","3047.76","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C57 H85 B N10 V -","- C57 H85 B N10 V -","- C114 H170 B2 N20 V2 -","2","1","","G Jafari, Mehrafshan; Fehn, Dominik; Sandoval-Pauker, Christian; Gau, Michael R.; Meyer, Karsten; Pinter, Balazs; Mindiola, Daniel J.; Reinholdt, Anders","A titanium redox-switch enables reversible C-C bond forming and splitting reactions.","Chemical science","2025","16","38","17714","17724","10.1039/d5sc04824a","","x-ray","0.71073","MoKα","","0.0996","0.0895","","","0.237","0.2421","","","","","","1.099","","","","has coordinates,has disorder","302560","2025-10-06","08:05:57",""
"1575524","10.7606","0.0005","24.5346","0.001","22.9833","0.001","90","","92.905","0.002","90","","6060","0.5","297","","297","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C60 H45 N3 O3 S3 -","- C60 H45 N3 O3 S3 -","- C240 H180 N12 O12 S12 -","4","1","","Sun, Yonghui; Shu, Yuqing; Zheng, Li; Song, Yufei; Huang, Baotong; Xu, Xiufang; Chen, Haohua; Chang, Junbiao; Xin, Pengyang","Cyclization-enhanced photoactivatable reversible room-temperature phosphorescence for efficient real-time light printing.","Chemical science","2025","16","38","17812","17819","10.1039/d5sc05008a","","","1.54178","CuKα","","0.1019","0.0922","","","0.3058","0.315","","","","","","1.085","","","","has coordinates,has disorder","302555","2025-10-06","08:04:03",""
"1575525","13.1113","0.0004","18.0607","0.0004","23.3276","0.0006","90","","105.099","0.002","90","","5333.3","0.2","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H51 N3 O3 S3 -","- C66 H51 N3 O3 S3 -","- C264 H204 N12 O12 S12 -","4","1","","Sun, Yonghui; Shu, Yuqing; Zheng, Li; Song, Yufei; Huang, Baotong; Xu, Xiufang; Chen, Haohua; Chang, Junbiao; Xin, Pengyang","Cyclization-enhanced photoactivatable reversible room-temperature phosphorescence for efficient real-time light printing.","Chemical science","2025","16","38","17812","17819","10.1039/d5sc05008a","","","1.54178","CuKα","","0.1278","0.0775","","","0.2244","0.2736","","","","","","1.024","","","","has coordinates,has disorder","302555","2025-10-06","08:04:03",""
"1575526","12.6976","0.0003","37.9408","0.0008","13.6528","0.0003","90","","104.772","0.001","90","","6359.9","0.2","273.15","","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H39 N3 O3 S3 -","- C57 H39 N3 O3 S3 -","- C228 H156 N12 O12 S12 -","4","1","","Sun, Yonghui; Shu, Yuqing; Zheng, Li; Song, Yufei; Huang, Baotong; Xu, Xiufang; Chen, Haohua; Chang, Junbiao; Xin, Pengyang","Cyclization-enhanced photoactivatable reversible room-temperature phosphorescence for efficient real-time light printing.","Chemical science","2025","16","38","17812","17819","10.1039/d5sc05008a","","","1.54178","CuKα","","0.0622","0.054","","","0.1612","0.1667","","","","","","1.064","","","","has coordinates","302555","2025-10-06","08:04:03",""
"1575527","21.186","0.0006","21.4353","0.0006","32.1951","0.0008","91.5233","0.0008","91.3027","0.0008","103.598","0.001","14199.5","0.7","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C98 H118 Br2 F4 N6 O2 S4 -","- C98 H118 Br2 F4 N6 O2 S4 -","- C588 H708 Br12 F24 N36 O12 S24 -","6","3","","Wang, Yan-Bo; Xue, Yung-Jing; Hung, Chieh-Ming; Huang, Kuo-Hsiu; Jiang, Bing-Huang; Tsai, Chia-Lin; Huang, Yu-Chi; Chen, Hong-Yi; Yang, Shang-Da; Chien, Su-Ying; Chen, Chih-Ping; Chou, Pi-Tai; Cheng, Yen-Ju","Effect of halogen/chalcogen substitution on the dielectric constant of asymmetric acceptor alloy to improve the efficiency and stability of inverted organic photovoltaics.","Chemical science","2025","16","37","17391","17407","10.1039/d5sc04976h","","","1.54178","CuKα","","0.1738","0.1384","","","0.3734","0.4313","","","","","","1.637","","","","has coordinates","302481","2025-10-06","07:32:00",""
"1575528","24.5571","0.0005","23.4429","0.0005","34.5277","0.0007","90","","107.939","0.001","90","","18910.9","0.7","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C98 H119 Br Cl4 N6 O2 S4 -","- C98 H119 Br Cl4 N6 O2 S4 -","- C784 H952 Br8 Cl32 N48 O16 S32 -","8","1","","Wang, Yan-Bo; Xue, Yung-Jing; Hung, Chieh-Ming; Huang, Kuo-Hsiu; Jiang, Bing-Huang; Tsai, Chia-Lin; Huang, Yu-Chi; Chen, Hong-Yi; Yang, Shang-Da; Chien, Su-Ying; Chen, Chih-Ping; Chou, Pi-Tai; Cheng, Yen-Ju","Effect of halogen/chalcogen substitution on the dielectric constant of asymmetric acceptor alloy to improve the efficiency and stability of inverted organic photovoltaics.","Chemical science","2025","16","37","17391","17407","10.1039/d5sc04976h","","","1.54178","CuKα","","0.1676","0.1473","","","0.4429","0.4789","","","","","","2.153","","","","has coordinates,has disorder","302481","2025-10-06","07:32:04",""
"1575529","21.2852","0.0005","21.6188","0.0006","32.1696","0.0007","92.4978","0.0011","91.3722","0.0011","103.562","0.0013","14367.8","0.6","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C98 H119 Br F4 N6 O2 S4 -","- C98 H119 Br F4 N6 O2 S4 -","- C588 H714 Br6 F24 N36 O12 S24 -","6","3","","Wang, Yan-Bo; Xue, Yung-Jing; Hung, Chieh-Ming; Huang, Kuo-Hsiu; Jiang, Bing-Huang; Tsai, Chia-Lin; Huang, Yu-Chi; Chen, Hong-Yi; Yang, Shang-Da; Chien, Su-Ying; Chen, Chih-Ping; Chou, Pi-Tai; Cheng, Yen-Ju","Effect of halogen/chalcogen substitution on the dielectric constant of asymmetric acceptor alloy to improve the efficiency and stability of inverted organic photovoltaics.","Chemical science","2025","16","37","17391","17407","10.1039/d5sc04976h","","","1.54178","CuKα","","0.2729","0.1947","","","0.482","0.5356","","","","","","1.661","","","","has coordinates,has disorder","302481","2025-10-06","07:32:13",""
"1575530","16.6502","0.0007","7.3452","0.0003","21.915","0.0009","90","","97.814","0.001","90","","2655.3","0.19","100.15","","100","2","","","","","","","synthesized by the authors","3","C 1 2 1","C 2y","5","","","","- C19 H12 O2 -","- C19 H12 O2 -","- C152 H96 O16 -","8","2","","Dočekal, Vojtěch; Kurčina, Adam; Císařová, Ivana; Veselý, Jan","Enantioselective lactonization catalyzed by chiral N-heterocyclic carbenes enables access to inherently chiral eight-membered lactones.","Chemical science","2025","16","37","17369","17373","10.1039/d5sc05037e","","x-ray","1.54178","CuKα","","0.03","0.03","","","0.0796","0.0796","","","","","","1.039","","","","has coordinates","302485","2025-10-06","07:35:03",""
"1575531","8.3909","0.0001","13.6555","0.0001","14.4806","0.0001","90","","90","","90","","1659.22","0.03","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 F3 O3 -","- C17 H25 F3 O3 -","- C68 H100 F12 O12 -","4","1","","Shakeri, Kamar; Kleoff, Merlin; Golz, Paul; Drews, Thomas; Weber, Manuela; Riedel, Sebastian; Christmann, Mathias","Photomediated C-H trifluoromethoxylations enabled by bis(trifluoromethyl)peroxide.","Chemical science","2025","16","38","17921","17926","10.1039/d5sc04945h","","","1.54178","CuKα","","0.0629","0.0624","","","0.1405","0.141","","","","","","1.203","","","","has coordinates","302562","2025-10-06","08:06:39",""
"1575532","7.978","0.0007","11.5922","0.001","11.8435","0.001","63.467","0.003","78.604","0.003","83.242","0.003","960.1","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Cu3 I4 N3 S -","- C12 H10 Cu3 I4 N3 S -","- C24 H20 Cu6 I8 N6 S2 -","2","1","","Chen, Jingwen; Wu, Xueqian; Zhang, Minghui; Teat, Simon J.; Xu, Guozhong; Li, Jingbai; Hei, Xiuze; Li, Jing","Rigid cationic ligands enable high-efficiency NIR-II photoluminescence in copper(i) iodide hybrid semiconductors.","Chemical science","2025","16","37","17417","17425","10.1039/d5sc04588f","","","0.7288","synchrotron","","0.0178","0.0171","","","0.0413","0.0416","","","","","","1.129","","","","has coordinates","302482","2025-10-06","07:32:27",""
"1575533","8.2427","0.0005","10.1306","0.0006","10.3673","0.0006","69.699","0.002","76.73","0.002","67.715","0.002","746.48","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 Cu2 I4 N6 S2 -","- C24 H20 Cu2 I4 N6 S2 -","- C24 H20 Cu2 I4 N6 S2 -","1","0.5","","Chen, Jingwen; Wu, Xueqian; Zhang, Minghui; Teat, Simon J.; Xu, Guozhong; Li, Jingbai; Hei, Xiuze; Li, Jing","Rigid cationic ligands enable high-efficiency NIR-II photoluminescence in copper(i) iodide hybrid semiconductors.","Chemical science","2025","16","37","17417","17425","10.1039/d5sc04588f","","","0.7288","synchrotron","","0.0214","0.0179","","","0.0416","0.0433","","","","","","1.037","","","","has coordinates","302482","2025-10-06","07:32:28",""
"1575534","9.8084","0.0005","10.2468","0.0005","11.1017","0.0005","81.711","0.002","73.056","0.002","66.501","0.002","978.32","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Cu3 I4 N3 Se -","- C12 H10 Cu3 I4 N3 Se -","- C24 H20 Cu6 I8 N6 Se2 -","2","1","","Chen, Jingwen; Wu, Xueqian; Zhang, Minghui; Teat, Simon J.; Xu, Guozhong; Li, Jingbai; Hei, Xiuze; Li, Jing","Rigid cationic ligands enable high-efficiency NIR-II photoluminescence in copper(i) iodide hybrid semiconductors.","Chemical science","2025","16","37","17417","17425","10.1039/d5sc04588f","","","0.7288","synchrotron","","0.0202","0.0182","","","0.0407","0.0415","","","","","","1.111","","","","has coordinates","302482","2025-10-06","07:32:28",""
"1575535","8.3023","0.0006","10.2622","0.0008","10.4313","0.0008","68.77","0.003","75.946","0.003","67.022","0.003","757.35","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 Cu2 I4 N6 Se2 -","- C24 H20 Cu2 I4 N6 Se2 -","- C24 H20 Cu2 I4 N6 Se2 -","1","0.5","","Chen, Jingwen; Wu, Xueqian; Zhang, Minghui; Teat, Simon J.; Xu, Guozhong; Li, Jingbai; Hei, Xiuze; Li, Jing","Rigid cationic ligands enable high-efficiency NIR-II photoluminescence in copper(i) iodide hybrid semiconductors.","Chemical science","2025","16","37","17417","17425","10.1039/d5sc04588f","","","0.7288","synchrotron","","0.0365","0.0327","","","0.0822","0.0845","","","","","","1.041","","","","has coordinates","302482","2025-10-06","07:32:28",""
"1575536","35.97","0.002","35.97","0.002","28.133","0.003","90","","90","","90","","36400","5","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C216 H264 Cs N40 O36 Pd8 -","- C216 H264 Cs N40 O36 Pd8 -","- C864 H1056 Cs4 N160 O144 Pd32 -","4","0.25","","Ray, Manaswini; Krishnaswamy, Shobhana; Chand, Dillip Kumar","Hosting of [Cs(crown ether)<sub>2</sub>]<sup>+</sup> type host-guest complexes by a nano-sized molecular cuboid.","Chemical science","2025","16","37","17127","17138","10.1039/d5sc03202d","","","0.71073","MoKα","","0.1285","0.1038","","","0.2482","0.268","","","","","","1.107","","","","has coordinates,has disorder","302484","2025-10-06","07:34:44",""
"1575537","30.9423","0.0006","30.9423","0.0006","19.3961","0.0007","90","","90","","90","","18570.3","0.8","149","2","149","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C176 H216 F84 N32 P16 Pd8 -","- C176 H216 F84 N32 P16 Pd8 -","- C352 H432 F168 N64 P32 Pd16 -","2","0.125","","Ray, Manaswini; Krishnaswamy, Shobhana; Chand, Dillip Kumar","Hosting of [Cs(crown ether)<sub>2</sub>]<sup>+</sup> type host-guest complexes by a nano-sized molecular cuboid.","Chemical science","2025","16","37","17127","17138","10.1039/d5sc03202d","","","1.54178","CuKα","","0.1726","0.108","","","0.3261","0.3819","","","","","","1.072","","","","has coordinates","302484","2025-10-06","07:34:45",""
"1575538","20.9332","0.0016","21.1999","0.0016","22.9084","0.0016","70.521","0.002","69.36","0.002","63.971","0.002","8353.4","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C220 H272 Cs1.04 N41 O41 Pd8 -","- C220 H272 Cs1.054 N41 O41 Pd8 -","- C220 H272 Cs1.054 N41 O41 Pd8 -","1","0.5","","Ray, Manaswini; Krishnaswamy, Shobhana; Chand, Dillip Kumar","Hosting of [Cs(crown ether)<sub>2</sub>]<sup>+</sup> type host-guest complexes by a nano-sized molecular cuboid.","Chemical science","2025","16","37","17127","17138","10.1039/d5sc03202d","","","0.71073","MoKα","","0.1256","0.0762","","","0.1918","0.2232","","","","","","1.023","","","","has coordinates,has disorder","302484","2025-10-06","07:34:45",""
"1575539","20.772","0.0018","21.4093","0.0019","22.903","0.002","70.951","0.003","69.338","0.003","64.414","0.002","8410.9","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C224 H280 Cs0.48 N43 O49 Pd8 -","- C224 H280 Cs0.482 N43 O49 Pd8 -","- C224 H280 Cs0.482 N43 O49 Pd8 -","1","0.5","","Ray, Manaswini; Krishnaswamy, Shobhana; Chand, Dillip Kumar","Hosting of [Cs(crown ether)<sub>2</sub>]<sup>+</sup> type host-guest complexes by a nano-sized molecular cuboid.","Chemical science","2025","16","37","17127","17138","10.1039/d5sc03202d","","","0.71073","MoKα","","0.1559","0.0995","","","0.2729","0.3382","","","","","","1.048","","","","has coordinates,has disorder","302484","2025-10-06","07:34:45",""
"1575540","10.0115","0.0005","33.232","0.0016","11.5588","0.0006","90","","97.006","0.003","90","","3816.9","0.3","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H108 B2 F10 N6 O2 -","- C82 H108 B2 F10 N6 O2 -","- C164 H216 B4 F20 N12 O4 -","2","0.5","","Jiang, Zhiyong; Ma, Xiangjun; Song, Kaixuan; Wang, Tianzhu; Dong, Mengxi; Liu, Hang; Gao, Hu; Wang, Xiaoqing; Zhao, Jing; Liu, Zhipeng","Shortwave infrared absorbing and fluorescent BODIPY J-aggregates for high-contrast <i>in vivo</i> imaging.","Chemical science","2025","16","38","17779","17792","10.1039/d5sc03864b","","","1.34139","GaKα","","0.1317","0.0657","","","0.1746","0.2149","","","","","","0.986","","","","has coordinates","302554","2025-10-06","08:02:40",""
"1575541","12.479","0.002","33.355","0.006","9.5684","0.0015","90","","108.825","0.008","90","","3769.7","1.1","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 B2 F10 N4 O4 -","- C80 B2 F10 N4 O4 -","- C160 B4 F20 N8 O8 -","2","0.5","","Jiang, Zhiyong; Ma, Xiangjun; Song, Kaixuan; Wang, Tianzhu; Dong, Mengxi; Liu, Hang; Gao, Hu; Wang, Xiaoqing; Zhao, Jing; Liu, Zhipeng","Shortwave infrared absorbing and fluorescent BODIPY J-aggregates for high-contrast <i>in vivo</i> imaging.","Chemical science","2025","16","38","17779","17792","10.1039/d5sc03864b","","","","","","0.095","","","","","","","","","","","","","","","has coordinates","302554","2025-10-06","08:02:41",""
"1575542","8.967","0.003","9.236","0.003","26.041","0.009","89.71","0.016","82.835","0.015","62.505","0.014","1894.8","1.1","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H108 B2 F4 N4 O8 -","- C82 H108 B2 F4 N4 O8 -","- C82 H108 B2 F4 N4 O8 -","1","0.5","","Jiang, Zhiyong; Ma, Xiangjun; Song, Kaixuan; Wang, Tianzhu; Dong, Mengxi; Liu, Hang; Gao, Hu; Wang, Xiaoqing; Zhao, Jing; Liu, Zhipeng","Shortwave infrared absorbing and fluorescent BODIPY J-aggregates for high-contrast <i>in vivo</i> imaging.","Chemical science","2025","16","38","17779","17792","10.1039/d5sc03864b","","","1.34139","GaKα","","0.124","0.0919","","","0.2445","0.2712","","","","","","1.397","","","","has coordinates","302554","2025-10-06","08:02:41",""
"1575543","13.0684","0.0006","33.8533","0.0015","17.8305","0.0008","90","","90.248","0.002","90","","7888.3","0.6","193","","193","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H114 B2 F4 N6 O6 -","- C84 H113.999 B2 F4.0001 N6 O6 -","- C336 H455.995 B8 F16.0004 N24 O24 -","4","1","","Jiang, Zhiyong; Ma, Xiangjun; Song, Kaixuan; Wang, Tianzhu; Dong, Mengxi; Liu, Hang; Gao, Hu; Wang, Xiaoqing; Zhao, Jing; Liu, Zhipeng","Shortwave infrared absorbing and fluorescent BODIPY J-aggregates for high-contrast <i>in vivo</i> imaging.","Chemical science","2025","16","38","17779","17792","10.1039/d5sc03864b","","","1.34139","GaKα","","0.1322","0.0617","","","0.1332","0.1592","","","","","","1.122","","","","has coordinates,has disorder","302554","2025-10-06","08:02:41",""
"1575544","9.9417","0.0002","10.7906","0.0002","15.9286","0.0003","98.869","0.002","98.98","0.002","111.275","0.002","1530.99","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H28 Cu2 N2 O14 -","- C27 H19 Cu2 N2 O14 -","- C54 H38 Cu4 N4 O28 -","2","1","","Wang, AnQi; Zheng, Xin; Saito, Yuki; Tateishi, Arata; Huang, Yuan; Kamiya, Yuichi; Sato, Hiroyasu; Kondo, Atsushi; Takahashi, Kiyonori; Nakamura, Takayoshi; Noro, Shin-Ichiro","Coexisting gases regulate the rates of water adsorption by a flexible one-dimensional coordination polymer.","Chemical science","2025","16","39","18135","18140","10.1039/d5sc01699a","","x-ray","1.54184","CuKα","","0.0446","0.0435","","","0.1305","0.1315","","","","","","1.102","","","","has coordinates","303642","2025-11-29","18:31:11",""
"1575545","9.462","0.003","9.915","0.003","15.687","0.003","94.47","0.02","94.64","0.02","111.54","0.03","1355.2","0.7","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 Cu2 N2 O11 -","- C27 H22 Cu2 N2 O11 -","- C54 H44 Cu4 N4 O22 -","2","1","","Wang, AnQi; Zheng, Xin; Saito, Yuki; Tateishi, Arata; Huang, Yuan; Kamiya, Yuichi; Sato, Hiroyasu; Kondo, Atsushi; Takahashi, Kiyonori; Nakamura, Takayoshi; Noro, Shin-Ichiro","Coexisting gases regulate the rates of water adsorption by a flexible one-dimensional coordination polymer.","Chemical science","2025","16","39","18135","18140","10.1039/d5sc01699a","","electron","0.0251","electron","","0.2993","0.2093","","","0.4185","0.4895","","","","","","1.108","","","","has coordinates","303642","2025-11-29","18:31:11",""
"1575546","13.3346","0.0002","17.6109","0.0002","25.4209","0.0003","102.048","0.001","97.672","0.001","104.674","0.001","5537.1","0.13","173","0.1","173","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C36 H36 Fe3 -","- C36 H36 Fe3 -","- C288 H288 Fe24 -","8","4","","Li, Longfei; Zhang, Beijing; Xie, Yi; Xiong, Qi; Zhong, Yuanbo; Jiang, Yansong; Wang, Yu; Wang, Haobing; Jiang, Shang-Da; Zhou, Shen; Jiang, Xing","An acetylene-bridged ferrocene macrocycle: efficient synthesis and electron transfer mechanism in mixed-valence systems.","Chemical science","2025","16","37","17268","17275","10.1039/d5sc02322j","","x-ray","0.71073","MoKα","","0.0579","0.0435","","","0.0932","0.0974","","","","","","1.146","","","","has coordinates","302480","2025-10-06","07:31:30",""
"1575547","11.8646","0.0016","11.9852","0.0017","13.0247","0.0018","78.104","0.013","64.935","0.015","60.235","0.014","1456.3","0.4","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C37 H32 Cl2 Fe3 -","- C37 H32 Cl2 Fe3 -","- C74 H64 Cl4 Fe6 -","2","1","","Li, Longfei; Zhang, Beijing; Xie, Yi; Xiong, Qi; Zhong, Yuanbo; Jiang, Yansong; Wang, Yu; Wang, Haobing; Jiang, Shang-Da; Zhou, Shen; Jiang, Xing","An acetylene-bridged ferrocene macrocycle: efficient synthesis and electron transfer mechanism in mixed-valence systems.","Chemical science","2025","16","37","17268","17275","10.1039/d5sc02322j","","x-ray","0.71073","MoKα","","0.073","0.0639","","","0.1714","0.179","","","","","","0.997","","","","has coordinates","302480","2025-10-06","07:31:31",""
"1575548","10.3956","0.0002","10.3956","0.0002","20.2799","0.0006","90","","90","","120","","1898","0.08","149.99","0.1","149.99","0.1","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- C36 H24 Fe3 -","- C36.0144 H24.0096 Fe3.0012 -","- C108.043 H72.0288 Fe9.0036 -","3","0.5","","Li, Longfei; Zhang, Beijing; Xie, Yi; Xiong, Qi; Zhong, Yuanbo; Jiang, Yansong; Wang, Yu; Wang, Haobing; Jiang, Shang-Da; Zhou, Shen; Jiang, Xing","An acetylene-bridged ferrocene macrocycle: efficient synthesis and electron transfer mechanism in mixed-valence systems.","Chemical science","2025","16","37","17268","17275","10.1039/d5sc02322j","","x-ray","0.71073","MoKα","","0.0236","0.022","","","0.0514","0.052","","","","","","1.026","","","","has coordinates,has disorder","302480","2025-10-06","07:31:31",""
"1575552","10.3732","0.0005","12.2046","0.0006","18.1561","0.0007","91.465","0.004","106.113","0.004","107.935","0.004","2085.41","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H64 Al B N4 -","- C42 H64 Al B N4 -","- C84 H128 Al2 B2 N8 -","2","1","","Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.","Synthesis, properties, and chemoselective reactions of an AlH-BH functional group.","Chemical science","2025","16","37","17193","17199","10.1039/d5sc05133a","","","1.54184","CuKα","","0.0623","0.0446","","","0.1119","0.1282","","","","","","1.024","","","","has coordinates","302487","2025-10-06","07:35:28",""
"1575553","10.6201","0.0008","12.1477","0.0011","18.1465","0.0011","91.246","0.006","104.782","0.006","107.331","0.007","2148.7","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H64 Al B N4 O2 -","- C43 H64 Al B N4 O2 -","- C86 H128 Al2 B2 N8 O4 -","2","1","","Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.","Synthesis, properties, and chemoselective reactions of an AlH-BH functional group.","Chemical science","2025","16","37","17193","17199","10.1039/d5sc05133a","","","1.54184","CuKα","","0.1","0.054","","","0.1165","0.1398","","","","","","0.997","","","","has coordinates,has disorder","302487","2025-10-06","07:35:28",""
"1575554","13.63125","0.00014","20.16105","0.00019","15.3157","0.00014","90","","99.9088","0.0009","90","","4146.28","0.07","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H64 Al2 N4 -","- C42 H64 Al2 N4 -","- C168 H256 Al8 N16 -","4","1","","Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.","Synthesis, properties, and chemoselective reactions of an AlH-BH functional group.","Chemical science","2025","16","37","17193","17199","10.1039/d5sc05133a","","","1.54184","CuKα","","0.0555","0.0408","","","0.1039","0.115","","","","","","1.034","","","","has coordinates,has disorder","302487","2025-10-06","07:35:28",""
"1575555","11.1773","0.0008","13.0784","0.0008","18.2008","0.0012","75.079","0.006","72.532","0.006","74.007","0.006","2395","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H73 Al B N5 -","- C51 H73 Al B N5 -","- C102 H146 Al2 B2 N10 -","2","1","","Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.","Synthesis, properties, and chemoselective reactions of an AlH-BH functional group.","Chemical science","2025","16","37","17193","17199","10.1039/d5sc05133a","","","1.54184","CuKα","","0.0819","0.0497","","","0.119","0.1365","","","","","","0.997","","","","has coordinates","302487","2025-10-06","07:35:28",""
"1575556","11.7887","0.0005","12.6943","0.0006","19.3282","0.0011","94.912","0.004","91.626","0.004","103.385","0.004","2800.1","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H81.5 Al B N6 O0.75 -","- C56 H74 Al B N6 -","- C112 H148 Al2 B2 N12 -","2","1","","Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.","Synthesis, properties, and chemoselective reactions of an AlH-BH functional group.","Chemical science","2025","16","37","17193","17199","10.1039/d5sc05133a","","","1.54184","CuKα","","0.1117","0.0688","","","0.1802","0.2152","","","","","","1.028","","","","has coordinates,has disorder","302487","2025-10-06","07:35:28",""
"1575557","19.6637","0.0007","25.8655","0.0009","7.351","0.0003","90","","90","","90","","3738.8","0.2","100","2","100","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C25 H18 F N O2 -","- C25 H18 F N O2 -","- C200 H144 F8 N8 O16 -","8","1","","Liu, Hao; Scott, Harrison M.; Lin, Binzhou; Huang, Xiaolong; Smith, Mark D.; Shimizu, Ken D.","Solvent attenuation of dispersion interactions quantified in polar and nonpolar media using rigid CH-π balances.","Chemical science","2025","16","38","17772","17778","10.1039/d5sc02852c","","x-ray","0.71073","MoKα","","0.0322","0.0304","","","0.0704","0.0718","","","","","","1.03","","","","has coordinates","302561","2025-10-06","08:06:27",""
"1575558","28.0843","0.0013","28.0843","0.0013","11.375","0.0007","90","","90","","90","","8971.8","0.8","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C31 H20 F N O2 -","- C31 H20 F N O2 -","- C496 H320 F16 N16 O32 -","16","2","","Liu, Hao; Scott, Harrison M.; Lin, Binzhou; Huang, Xiaolong; Smith, Mark D.; Shimizu, Ken D.","Solvent attenuation of dispersion interactions quantified in polar and nonpolar media using rigid CH-π balances.","Chemical science","2025","16","38","17772","17778","10.1039/d5sc02852c","","x-ray","0.71073","MoKα","","0.0778","0.0524","","","0.1061","0.1168","","","","","","1.027","","","","has coordinates,has disorder","302561","2025-10-06","08:06:28",""
"1575559","22.1848","0.0006","22.1848","0.0006","11.2994","0.0005","90","","90","","90","","5561.2","0.3","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C33.93 H27.86 F N O3.46 -","- C33.928 H27.856 F N O3.464 -","- C271.424 H222.848 F8 N8 O27.712 -","8","1","","Liu, Hao; Scott, Harrison M.; Lin, Binzhou; Huang, Xiaolong; Smith, Mark D.; Shimizu, Ken D.","Solvent attenuation of dispersion interactions quantified in polar and nonpolar media using rigid CH-π balances.","Chemical science","2025","16","38","17772","17778","10.1039/d5sc02852c","","x-ray","0.71073","MoKα","","0.0407","0.0383","","","0.1052","0.1079","","","","","","1.061","","","","has coordinates,has disorder","302561","2025-10-06","08:06:28",""
"1575560","9.3457","0.0003","13.8896","0.0005","14.0274","0.0005","90","","90","","90","","1820.87","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H18 F N O2 -","- C25 H18 F N O2 -","- C100 H72 F4 N4 O8 -","4","1","","Liu, Hao; Scott, Harrison M.; Lin, Binzhou; Huang, Xiaolong; Smith, Mark D.; Shimizu, Ken D.","Solvent attenuation of dispersion interactions quantified in polar and nonpolar media using rigid CH-π balances.","Chemical science","2025","16","38","17772","17778","10.1039/d5sc02852c","","x-ray","0.71073","MoKα","","0.0458","0.0447","","","0.1215","0.1223","","","","","","1.228","","","","has coordinates","302561","2025-10-06","08:06:28",""
"1575561","8.4255","0.0005","9.5914","0.0006","13.0539","0.0009","93.704","0.002","99.237","0.002","102.183","0.002","1012.47","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H20 F N O2 -","- C29 H20 F N O2 -","- C58 H40 F2 N2 O4 -","2","1","","Liu, Hao; Scott, Harrison M.; Lin, Binzhou; Huang, Xiaolong; Smith, Mark D.; Shimizu, Ken D.","Solvent attenuation of dispersion interactions quantified in polar and nonpolar media using rigid CH-π balances.","Chemical science","2025","16","38","17772","17778","10.1039/d5sc02852c","","x-ray","0.71073","MoKα","","0.0444","0.0413","","","0.108","0.1104","","","","","","1.124","","","","has coordinates","302561","2025-10-06","08:06:28",""
"1575562","12.7667","0.0009","11.3301","0.0008","14.2629","0.001","90","","97.786","0.002","90","","2044.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H20 F N O2 -","- C29 H20 F N O2 -","- C116 H80 F4 N4 O8 -","4","1","","Liu, Hao; Scott, Harrison M.; Lin, Binzhou; Huang, Xiaolong; Smith, Mark D.; Shimizu, Ken D.","Solvent attenuation of dispersion interactions quantified in polar and nonpolar media using rigid CH-π balances.","Chemical science","2025","16","38","17772","17778","10.1039/d5sc02852c","","x-ray","0.71073","MoKα","","0.0528","0.0458","","","0.1345","0.1407","","","","","","1.125","","","","has coordinates","302561","2025-10-06","08:06:28",""
"1575563","7.7533","0.0003","15.5357","0.0006","34.8973","0.0015","90","","90","","90","","4203.5","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H20 F N O2 -","- C31 H20 F N O2 -","- C248 H160 F8 N8 O16 -","8","1","","Liu, Hao; Scott, Harrison M.; Lin, Binzhou; Huang, Xiaolong; Smith, Mark D.; Shimizu, Ken D.","Solvent attenuation of dispersion interactions quantified in polar and nonpolar media using rigid CH-π balances.","Chemical science","2025","16","38","17772","17778","10.1039/d5sc02852c","","x-ray","0.71073","MoKα","","0.0496","0.0457","","","0.1324","0.136","","","","","","1.116","","","","has coordinates","302561","2025-10-06","08:06:28",""
"1575564","10.7613","0.0007","12.7245","0.0008","13.5391","0.001","102.965","0.006","93.193","0.005","103.386","0.005","1746.2","0.2","85","","85","","","","","","","","","7","P -1","-P 1","2","","","","- C37 H33 F3 Fe N7 O4 S -","- C37 H33 F3 Fe N7 O4 S -","- C74 H66 F6 Fe2 N14 O8 S2 -","2","1","","LaDuca, Andrew R.; Gonder, Jared E.; Sarkar, Writhabrata; Gilbertson, John D.; Szymczak, Nathaniel K.","Rapid nitrite reduction enabled by secondary sphere hydrogen bonds within non-heme iron complexes.","Chemical science","2025","16","39","18364","18371","10.1039/d5sc04153h","","x-ray","1.54184","CuKα","","0.0972","0.0863","","","0.2338","0.2468","","","","","","1.039","","","","has coordinates","303639","2025-11-29","18:30:23",""
"1575565","11.61513","0.00015","18.7796","0.0002","13.19575","0.00019","90","","111.126","0.0015","90","","2684.91","0.07","85","","85","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 F6 Fe N5 O5 S2 -","- C23 H24 F6 Fe N5 O5 S2 -","- C92 H96 F24 Fe4 N20 O20 S8 -","4","1","","LaDuca, Andrew R.; Gonder, Jared E.; Sarkar, Writhabrata; Gilbertson, John D.; Szymczak, Nathaniel K.","Rapid nitrite reduction enabled by secondary sphere hydrogen bonds within non-heme iron complexes.","Chemical science","2025","16","39","18364","18371","10.1039/d5sc04153h","","","1.54184","CuKα","","0.038","0.0356","","","0.0904","0.0957","","","","","","1.069","","","","has coordinates","303639","2025-11-29","18:30:23",""
"1575566","5.1445","0.0001","17.9411","0.0005","32.6591","0.0007","90","","91.848","0.002","90","","3012.8","0.12","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H28 N2 O2 -","- C43 H28 N2 O2 -","- C172 H112 N8 O8 -","4","1","","Liu, Xiao; Wen, Xue-Liang; Zhou, Yang; Tang, Chao; Tang, Diandong; Wang, Qian; Shi, Yibo; Liu, Lin; Sun, Wei; Feng, Kai; Fang, Wei-Hai; Qiao, Juan; Shen, Lin; Chen, Xuebo","Molecular design of sensitizers for high-efficiency OLEDs: exploration of energy transfer dynamics.","Chemical science","2025","16","37","17304","17315","10.1039/d5sc03817k","","x-ray","1.54184","CuKα","","0.1007","0.0677","","","0.1634","0.1737","","","","","","1.027","","","","has coordinates","302488","2025-10-06","07:35:41",""
"1575567","9.0251","0.0006","9.0365","0.0005","10.1245","0.0006","89.256","0.004","74.606","0.005","71.184","0.005","751.15","0.08","99.99","0.1","99.99","0.1","","","","","","","","4","P 1","P 1","1","","","","- C43 H28 N2 O2 -","- C43 H28 N2 O2 -","- C43 H28 N2 O2 -","1","1","","Liu, Xiao; Wen, Xue-Liang; Zhou, Yang; Tang, Chao; Tang, Diandong; Wang, Qian; Shi, Yibo; Liu, Lin; Sun, Wei; Feng, Kai; Fang, Wei-Hai; Qiao, Juan; Shen, Lin; Chen, Xuebo","Molecular design of sensitizers for high-efficiency OLEDs: exploration of energy transfer dynamics.","Chemical science","2025","16","37","17304","17315","10.1039/d5sc03817k","","x-ray","1.54184","CuKα","","0.0347","0.0332","","","0.0794","0.0803","","","","","","1.047","","","","has coordinates","302488","2025-10-06","07:35:42",""
"1575568","8.8906","0.0002","9.0722","0.0002","10.1623","0.0002","88.798","0.002","76.812","0.002","74.108","0.002","766.79","0.03","100","0.4","100","0.4","","","","","","","","5","P 1","P 1","1","","","","- C43 H28 N2 O S -","- C43 H28 N2 O S -","- C43 H28 N2 O S -","1","1","","Liu, Xiao; Wen, Xue-Liang; Zhou, Yang; Tang, Chao; Tang, Diandong; Wang, Qian; Shi, Yibo; Liu, Lin; Sun, Wei; Feng, Kai; Fang, Wei-Hai; Qiao, Juan; Shen, Lin; Chen, Xuebo","Molecular design of sensitizers for high-efficiency OLEDs: exploration of energy transfer dynamics.","Chemical science","2025","16","37","17304","17315","10.1039/d5sc03817k","","x-ray","1.54184","CuKα","","0.0348","0.0341","","","0.086","0.0866","","","","","","1.044","","","","has coordinates","302488","2025-10-06","07:35:42",""
"1575569","18.0046","0.0003","19.7746","0.0004","27.2387","0.0005","70.6596","0.0017","73.3726","0.0016","85.7978","0.0015","8765.5","0.3","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C172 H276 K4 N8 -","- C172 H276 K4 N8 -","- C344 H552 K8 N16 -","2","1","","Jędrzkiewicz, Dawid; Morasch, Michael; Townrow, Oliver P. E.; Rösch, Bastian; Langer, Jens; Mathe, Zachary; Harder, Sjoerd","Trends in benzene inverse sandwich complexes of the alkaline-earth metals Mg, Ca, Sr and Ba.","Chemical science","2025","16","38","17793","17802","10.1039/d5sc05373k","","x-ray","1.54184","CuKα","","0.0689","0.0584","","","0.1564","0.1689","","","","","","1.042","","","","has coordinates,has disorder","302556","2025-10-06","08:04:57",""
"1575570","19.899","0.0002","19.899","0.0002","42.0248","0.001","90","","90","","90","","16640.6","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C86 H138 I2 N4 Sr2 -","- C86 H138 I2 N4 Sr2 -","- C688 H1104 I16 N32 Sr16 -","8","0.25","","Jędrzkiewicz, Dawid; Morasch, Michael; Townrow, Oliver P. E.; Rösch, Bastian; Langer, Jens; Mathe, Zachary; Harder, Sjoerd","Trends in benzene inverse sandwich complexes of the alkaline-earth metals Mg, Ca, Sr and Ba.","Chemical science","2025","16","38","17793","17802","10.1039/d5sc05373k","","x-ray","1.54184","CuKα","","0.0373","0.0299","","","0.0736","0.0782","","","","","","1.054","","","","has coordinates","302556","2025-10-06","08:04:57",""
"1575571","12.436","0.0014","22.839","0.002","30.727","0.003","90","","97.93","0.01","90","","8643.8","1.5","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C189 H300 Ca4 N8 -","- C189 H300 Ca4 N8 -","- C378 H600 Ca8 N16 -","2","0.5","","Jędrzkiewicz, Dawid; Morasch, Michael; Townrow, Oliver P. E.; Rösch, Bastian; Langer, Jens; Mathe, Zachary; Harder, Sjoerd","Trends in benzene inverse sandwich complexes of the alkaline-earth metals Mg, Ca, Sr and Ba.","Chemical science","2025","16","38","17793","17802","10.1039/d5sc05373k","","x-ray","1.54184","CuKα","","0.0394","0.033","","","0.0796","0.0833","","","","","","1.017","","","","has coordinates,has disorder","302556","2025-10-06","08:04:57",""
"1575572","9.64881","0.00013","26.2579","0.0003","27.1109","0.0003","78.9461","0.001","85.4731","0.001","79.5197","0.0011","6621.94","0.14","99.97","0.13","99.97","0.13","","","","","","","","4","P -1","-P 1","2","","","","- C104 H134 Ba2 N4 -","- C104 H134 Ba2 N4 -","- C312 H402 Ba6 N12 -","3","1.5","","Jędrzkiewicz, Dawid; Morasch, Michael; Townrow, Oliver P. E.; Rösch, Bastian; Langer, Jens; Mathe, Zachary; Harder, Sjoerd","Trends in benzene inverse sandwich complexes of the alkaline-earth metals Mg, Ca, Sr and Ba.","Chemical science","2025","16","38","17793","17802","10.1039/d5sc05373k","","x-ray","0.71073","MoKα","","0.0477","0.0358","","","0.0721","0.077","","","","","","1.085","","","","has coordinates,has disorder","302556","2025-10-06","08:04:57",""
"1575573","21.0407","0.0003","20.0279","0.0002","20.3948","0.0002","90","","90","","90","","8594.39","0.17","99.9","0.4","99.9","0.4","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C92 H144 Ca2 I2 N4 -","- C92 H144 Ca2 I2 N4 -","- C368 H576 Ca8 I8 N16 -","4","0.5","","Jędrzkiewicz, Dawid; Morasch, Michael; Townrow, Oliver P. E.; Rösch, Bastian; Langer, Jens; Mathe, Zachary; Harder, Sjoerd","Trends in benzene inverse sandwich complexes of the alkaline-earth metals Mg, Ca, Sr and Ba.","Chemical science","2025","16","38","17793","17802","10.1039/d5sc05373k","","x-ray","1.54184","CuKα","","0.0302","0.028","","","0.0702","0.0717","","","","","","1.111","","","","has coordinates,has disorder","302556","2025-10-06","08:04:57",""
"1575574","17.1405","0.0003","16.1273","0.0003","37.6114","0.0009","90","","90","","90","","10396.9","0.4","100.01","0.1","100.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C52 H89 Ca I N2 O -","- C52 H89 Ca I N2 O -","- C416 H712 Ca8 I8 N16 O8 -","8","1","","Jędrzkiewicz, Dawid; Morasch, Michael; Townrow, Oliver P. E.; Rösch, Bastian; Langer, Jens; Mathe, Zachary; Harder, Sjoerd","Trends in benzene inverse sandwich complexes of the alkaline-earth metals Mg, Ca, Sr and Ba.","Chemical science","2025","16","38","17793","17802","10.1039/d5sc05373k","","x-ray","0.71073","MoKα","","0.0644","0.0475","","","0.1129","0.1263","","","","","","1.062","","","","has coordinates,has disorder","302556","2025-10-06","08:04:57",""
"1575575","19.9739","0.0001","19.9739","0.0001","24.5351","0.0004","90","","90","","90","","9788.44","0.17","99.99","0.13","99.99","0.13","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C86 H138 Ba2 I2 N4 -","- C86 H138 Ba2 I2 N4 -","- C344 H552 Ba8 I8 N16 -","4","0.25","","Jędrzkiewicz, Dawid; Morasch, Michael; Townrow, Oliver P. E.; Rösch, Bastian; Langer, Jens; Mathe, Zachary; Harder, Sjoerd","Trends in benzene inverse sandwich complexes of the alkaline-earth metals Mg, Ca, Sr and Ba.","Chemical science","2025","16","38","17793","17802","10.1039/d5sc05373k","","x-ray","0.71073","MoKα","","0.0239","0.0199","","","0.0425","0.0441","","","","","","1.042","","","","has coordinates","302556","2025-10-06","08:04:57",""
"1575576","12.21855","0.00008","22.92842","0.00017","31.5562","0.0003","90","","97.7853","0.0007","90","","8759.05","0.12","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C189 H300 N8 Sr4 -","- C189 H300 N8 Sr4 -","- C378 H600 N16 Sr8 -","2","0.5","","Jędrzkiewicz, Dawid; Morasch, Michael; Townrow, Oliver P. E.; Rösch, Bastian; Langer, Jens; Mathe, Zachary; Harder, Sjoerd","Trends in benzene inverse sandwich complexes of the alkaline-earth metals Mg, Ca, Sr and Ba.","Chemical science","2025","16","38","17793","17802","10.1039/d5sc05373k","","","1.54184","CuKα","","0.0374","0.0325","","","0.0811","0.0846","","","","","","1.018","","","","has coordinates,has disorder","302556","2025-10-06","08:04:57",""
"1575577","15.84065","0.00018","23.0138","0.0003","30.6235","0.0003","108.831","0.001","94.108","0.0009","109.852","0.0011","9730.3","0.2","99.97","0.11","99.97","0.11","","","","","","","","4","P -1","-P 1","2","","","","- C92 H144 Ba2 N4 -","- C92 H144 Ba2 N4 -","- C368 H576 Ba8 N16 -","4","2","","Jędrzkiewicz, Dawid; Morasch, Michael; Townrow, Oliver P. E.; Rösch, Bastian; Langer, Jens; Mathe, Zachary; Harder, Sjoerd","Trends in benzene inverse sandwich complexes of the alkaline-earth metals Mg, Ca, Sr and Ba.","Chemical science","2025","16","38","17793","17802","10.1039/d5sc05373k","","","1.54184","CuKα","","0.0419","0.0372","","","0.0908","0.094","","","","","","1.006","","","","has coordinates,has disorder","302556","2025-10-06","08:04:57",""
"1575583","33.532","0.004","9.7242","0.0012","23.877","0.002","90","","91.794","0.004","90","","7781.8","1.5","300","","300","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 O -","- C27 H20 O -","- C432 H320 O16 -","16","2","","Fan, Lin; Wang, Pengyang; He, Chang; Chen, Xiaoyu; Dai, Linlong; Xiong, Daokai; Zhong, Guofu","Regiodivergent Lewis acid catalysis of bicyclo[1.1.0]butanes with 2-naphthols.","Chemical science","2025","16","39","18255","18262","10.1039/d5sc05468k","","x-ray","0.71073","MoKα","","0.0681","0.044","","","0.0954","0.1165","","","","","","1.08","","","","has coordinates","303643","2025-11-29","18:31:24",""
"1575584","9.7775","0.0002","9.8032","0.0002","10.7751","0.0002","103.825","0.001","106.259","0.001","106.755","0.001","890.15","0.03","193","","193","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H18 O3 -","- C24 H18 O3 -","- C48 H36 O6 -","2","1","","Fan, Lin; Wang, Pengyang; He, Chang; Chen, Xiaoyu; Dai, Linlong; Xiong, Daokai; Zhong, Guofu","Regiodivergent Lewis acid catalysis of bicyclo[1.1.0]butanes with 2-naphthols.","Chemical science","2025","16","39","18255","18262","10.1039/d5sc05468k","","","1.54178","CuKα","","0.0419","0.038","","","0.1001","0.1042","","","","","","1.042","","","","has coordinates","303643","2025-11-29","18:31:24",""
"1575585","6.5568","0.001","22.582","0.004","13.2604","0.0019","90","","93.006","0.006","90","","1960.7","0.5","300","","300","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 O2 -","- C27 H22 O2 -","- C108 H88 O8 -","4","1","","Fan, Lin; Wang, Pengyang; He, Chang; Chen, Xiaoyu; Dai, Linlong; Xiong, Daokai; Zhong, Guofu","Regiodivergent Lewis acid catalysis of bicyclo[1.1.0]butanes with 2-naphthols.","Chemical science","2025","16","39","18255","18262","10.1039/d5sc05468k","","x-ray","0.71073","MoKα","","0.0626","0.045","","","0.1089","0.1227","","","","","","1.048","","","","has coordinates","303643","2025-11-29","18:31:24",""
"1575588","28.49936","0.00019","9.31608","0.00007","15.74192","0.00012","90","","95.0936","0.0007","90","","4163.01","0.05","298","2","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3.79 H2.97 B0.07 N0.14 O0.07 -","- C3.7931 H2.96552 B0.0689655 N0.137931 O0.0689655 -","- C220 H172 B4 N8 O4 -","58","14.5","","Li, Deli; Liu, Denghui; Li, Mengke; Liu, Qingchao; Liu, Wei; Li, Wei; Su, Shi-Jian; Jiang, Xuchuan","Peripherally fused spiro structures enable the development of narrowband TADF emitters for highly efficient blue OLEDs.","Chemical science","2025","16","39","18332","18340","10.1039/d5sc05501f","","x-ray","1.54184","CuKα","","0.0643","0.0584","","","0.1575","0.1656","","","","","","1.026","","","","has coordinates","303640","2025-11-29","18:30:36",""
"1575596","18.2827","0.0006","18.2827","0.0006","20.6322","0.0011","90","","90","","90","","6896.5","0.5","100","","100","","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C34 H45 N2 O2 Sb -","- C34 H45 N2 O2 Sb -","- C272 H360 N16 O16 Sb8 -","8","1","","Karnbrock, Simon B. H.; Köster, Jan F; Becker, Isabelle; Golz, Christopher; Meyer, Franc; Gimferrer, Martí; Alcarazo, Manuel","Bis(amidophenolate)-supported pnictoranides: Lewis acid-induced electromerism in a bismuth complex.","Chemical science","2025","16","31","14178","14185","10.1039/d5sc03374h","","x-ray","0.71073","MoKα","","0.0248","0.0235","","","0.067","0.0683","","","","","","1.086","","","","has coordinates","302004","2025-09-04","09:50:23",""
"1575597","10.186","0.004","18.226","0.014","19.858","0.015","90","","90","","90","","3687","4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H53 Bi N2 O2 -","- C41 H53 Bi N2 O2 -","- C164 H212 Bi4 N8 O8 -","4","1","","Karnbrock, Simon B. H.; Köster, Jan F; Becker, Isabelle; Golz, Christopher; Meyer, Franc; Gimferrer, Martí; Alcarazo, Manuel","Bis(amidophenolate)-supported pnictoranides: Lewis acid-induced electromerism in a bismuth complex.","Chemical science","2025","16","31","14178","14185","10.1039/d5sc03374h","","x-ray","0.71073","MoKα","","0.046","0.0357","","","0.0735","0.0778","","","","","","1.076","","","","has coordinates,has disorder","302004","2025-09-04","09:50:25",""
"1575598","11.2137","0.001","22.3307","0.0012","15.4939","0.0015","90","","105.942","0.002","90","","3730.6","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H49 Fe N2 O4 P -","- C41 H49 Fe N2 O4 P -","- C164 H196 Fe4 N8 O16 P4 -","4","1","","Karnbrock, Simon B. H.; Köster, Jan F; Becker, Isabelle; Golz, Christopher; Meyer, Franc; Gimferrer, Martí; Alcarazo, Manuel","Bis(amidophenolate)-supported pnictoranides: Lewis acid-induced electromerism in a bismuth complex.","Chemical science","2025","16","31","14178","14185","10.1039/d5sc03374h","","x-ray","0.71073","MoKα","","0.0401","0.035","","","0.094","0.0984","","","","","","1.013","","","","has coordinates,has disorder","302004","2025-09-04","09:50:25",""
"1575599","13.6886","0.0001","13.6886","0.0001","49.9629","0.0009","90","","90","","120","","8107.68","0.17","100","","100","","","","","","","","","6","P 61","P 61","169","","","","- C52 H80 K N4 O8 P -","- C52 H80 K N4 O8 P -","- C312 H480 K6 N24 O48 P6 -","6","1","","Karnbrock, Simon B. H.; Köster, Jan F; Becker, Isabelle; Golz, Christopher; Meyer, Franc; Gimferrer, Martí; Alcarazo, Manuel","Bis(amidophenolate)-supported pnictoranides: Lewis acid-induced electromerism in a bismuth complex.","Chemical science","2025","16","31","14178","14185","10.1039/d5sc03374h","","x-ray","1.54178","CuKα","","0.0553","0.0485","","","0.126","0.132","","","","","","1.03","","","","has coordinates,has disorder","302004","2025-09-04","09:50:25",""
"1575600","12.6242","0.0007","16.1575","0.001","18.7294","0.0012","90","","90","","90","","3820.3","0.4","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H49 Bi Fe N2 O4 -","- C41 H49 Bi Fe N2 O4 -","- C164 H196 Bi4 Fe4 N8 O16 -","4","1","","Karnbrock, Simon B. H.; Köster, Jan F; Becker, Isabelle; Golz, Christopher; Meyer, Franc; Gimferrer, Martí; Alcarazo, Manuel","Bis(amidophenolate)-supported pnictoranides: Lewis acid-induced electromerism in a bismuth complex.","Chemical science","2025","16","31","14178","14185","10.1039/d5sc03374h","","x-ray","0.56086","AgKα","","0.0411","0.0353","","","0.085","0.089","","","","","","1.037","","","","has coordinates,has disorder","302004","2025-09-04","09:50:25",""
"1575601","11.0459","0.0006","15.0934","0.0005","24.3347","0.0011","90","","90","","90","","4057.1","0.3","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H52 Fe N3 O4 Sb -","- C43 H52 Fe N3 O4 Sb -","- C172 H208 Fe4 N12 O16 Sb4 -","4","1","","Karnbrock, Simon B. H.; Köster, Jan F; Becker, Isabelle; Golz, Christopher; Meyer, Franc; Gimferrer, Martí; Alcarazo, Manuel","Bis(amidophenolate)-supported pnictoranides: Lewis acid-induced electromerism in a bismuth complex.","Chemical science","2025","16","31","14178","14185","10.1039/d5sc03374h","","x-ray","0.71073","MoKα","","0.0213","0.0202","","","0.0494","0.0501","","","","","","1.033","","","","has coordinates","302004","2025-09-04","09:50:26",""
"1575602","19.5035","0.001","19.1189","0.0012","34.1547","0.0018","90","","91.153","0.002","90","","12733.2","1.2","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60.75 H90 K N4 O8 Sb -","- C52 H80 K N4 O8 Sb -","- C416 H640 K8 N32 O64 Sb8 -","8","1","","Karnbrock, Simon B. H.; Köster, Jan F; Becker, Isabelle; Golz, Christopher; Meyer, Franc; Gimferrer, Martí; Alcarazo, Manuel","Bis(amidophenolate)-supported pnictoranides: Lewis acid-induced electromerism in a bismuth complex.","Chemical science","2025","16","31","14178","14185","10.1039/d5sc03374h","","x-ray","0.71073","MoKα","","0.038","0.0327","","","0.0772","0.0793","","","","","","1.104","","","","has coordinates,has disorder","302004","2025-09-04","09:50:26",""
"1575603","11.1002","0.0007","24.3068","0.0019","29.174","0.002","90","","90.71","0.002","90","","7870.8","1","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C170 H205 As4 Fe4 N11 O16 -","- C170 H205 As4 Fe4 N11 O16 -","- C340 H410 As8 Fe8 N22 O32 -","2","0.5","","Karnbrock, Simon B. H.; Köster, Jan F; Becker, Isabelle; Golz, Christopher; Meyer, Franc; Gimferrer, Martí; Alcarazo, Manuel","Bis(amidophenolate)-supported pnictoranides: Lewis acid-induced electromerism in a bismuth complex.","Chemical science","2025","16","31","14178","14185","10.1039/d5sc03374h","","x-ray","0.71073","MoKα","","0.0438","0.0346","","","0.0807","0.0844","","","","","","1.059","","","","has coordinates,has disorder","302004","2025-09-04","09:50:26",""
"1575604","14.9091","0.0006","16.9235","0.0008","21.9544","0.0009","90","","103.203","0.002","90","","5393","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H80 K N4 O8 P -","- C52 H80 K N4 O8 P -","- C208 H320 K4 N16 O32 P4 -","4","1","","Karnbrock, Simon B. H.; Köster, Jan F; Becker, Isabelle; Golz, Christopher; Meyer, Franc; Gimferrer, Martí; Alcarazo, Manuel","Bis(amidophenolate)-supported pnictoranides: Lewis acid-induced electromerism in a bismuth complex.","Chemical science","2025","16","31","14178","14185","10.1039/d5sc03374h","","x-ray","0.71073","MoKα","","0.0779","0.0724","","","0.1776","0.1824","","","","","","1.022","","","","has coordinates,has disorder","302004","2025-09-04","09:50:26",""
"1575605","33.0221","0.001","18.8484","0.0005","19.1838","0.0006","90","","115.618","0.001","90","","10766.5","0.6","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C52 H79.5 Bi K N4 O8 -","- C52 H79.5 Bi K N4 O8 -","- C416 H636 Bi8 K8 N32 O64 -","8","2","","Karnbrock, Simon B. H.; Köster, Jan F; Becker, Isabelle; Golz, Christopher; Meyer, Franc; Gimferrer, Martí; Alcarazo, Manuel","Bis(amidophenolate)-supported pnictoranides: Lewis acid-induced electromerism in a bismuth complex.","Chemical science","2025","16","31","14178","14185","10.1039/d5sc03374h","","x-ray","0.71073","MoKα","","0.0267","0.0254","","","0.0679","0.0686","","","","","","1.042","","","","has coordinates,has disorder","302004","2025-09-04","09:50:27",""
"1575606","7.0957","0.001","12.1687","0.0017","22.545","0.003","90","","91.046","0.003","90","","1946.3","0.5","273","2","273","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Ba3Al2B12O24","","- Al2 B12 Ba3 O24 -","- Al2 B12 Ba3 O24 -","- Al8 B48 Ba12 O96 -","4","1","","Liu, Xiaorong; Wu, Hongping; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Yu, Hongwei","Ba<sub>3</sub>Al<sub>2</sub>B<sub>12</sub>O<sub>24</sub>: a beryllium-free member of the Sr<sub>2</sub>Be<sub>2</sub>B<sub>2</sub>O<sub>7</sub> family with a <sup>2</sup> <sub>∞</sub>[B<sub>12</sub>Al<sub>2</sub>O<sub>28</sub>] double-layered structure.","Chemical science","2025","16","38","17766","17771","10.1039/d5sc03854e","","","0.71073","MoKα","","0.0442","0.0363","","","0.0688","0.0733","","","","","","1.067","","","","has coordinates","302559","2025-10-06","08:05:46",""
"1575621","15.539","0.0004","9.5032","0.0002","18.1818","0.0004","90","","97.433","0.002","90","","2662.35","0.11","100","0.1","100","0.1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C31 H29 Br Co0.5 O1.5 P2 -","- C31 H29 Br Co0.5 O1.5 P2 -","- C124 H116 Br4 Co2 O6 P8 -","4","1","","Xu, Chao; Bao, Zhi-Peng; Shao, Sufang; Wu, Xiao-Feng","Cobalt-catalyzed direct carbonylative 3-acylation of (N-H)Indoles with alkyl halides.","Chemical science","2025","16","40","18838","18843","10.1039/d5sc05810d","","x-ray","1.54184","CuKα","","0.0794","0.0735","","","0.1979","0.2035","","","","","","1.049","","","","has coordinates","303658","2025-11-29","18:37:06",""
"1575639","23.51","0.07","42.59","0.1","104.3","0.3","90","","90","","90","","104435","5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","metal–peptide helical β-sheet tape (Abu, Val)","","- C34.67 H49 Ag F5 N7.83 O12.33 S1.67 -","- C34.6667 H47 Ag F5 N7.83333 O12.3333 S1.66667 -","- C1664 H2256 Ag48 F240 N376 O592 S80 -","48","12","","Tsunekawa, Eisuke; Nakama, Takahiro; Fujita, Makoto; Sawada, Tomohisa","Engineering β-sheet morphologies <i>via</i> metal cross-linking and side chain modifications.","Chemical science","2025","16","40","18832","18837","10.1039/d5sc05237h","","","0.7","synchrotron","","0.2237","0.1581","","","0.3613","0.4099","","","","","","1.288","","","","has coordinates","303660","2025-11-29","18:39:37",""
"1575640","22.89","0.03","22.89","0.03","51.99","0.05","90","","90","","90","","27240","6","100","2","100","2","","","","","","","","7","P 43 2 2","P 4cw 2c","95","","metal–peptide helical β-sheet tape (Thr, Tle)","","- C35 H50 Ag F3 N7.5 O11.5 S -","- C35 H49 Ag F3 N7.5 O11.5 S -","- C560 H784 Ag16 F48 N120 O184 S16 -","16","2","","Tsunekawa, Eisuke; Nakama, Takahiro; Fujita, Makoto; Sawada, Tomohisa","Engineering β-sheet morphologies <i>via</i> metal cross-linking and side chain modifications.","Chemical science","2025","16","40","18832","18837","10.1039/d5sc05237h","","","1","synchrotron","","0.3066","0.1939","","","0.4502","0.5295","","","","","","1.298","","","","has coordinates","303660","2025-11-29","18:39:37",""
"1575641","14.238","0.003","16.076","0.003","18.83","0.004","83.96","0.03","73.23","0.03","83.06","0.03","4085.2","1.6","100","2","100","2","","","","","","","","4","P 1","P 1","1","","pentapeptide ligand (Val, Val)","","- C34.75 H52.25 N7.25 O9 -","- C34.75 H50.75 N7.25 O9 -","- C139 H203 N29 O36 -","4","4","","Tsunekawa, Eisuke; Nakama, Takahiro; Fujita, Makoto; Sawada, Tomohisa","Engineering β-sheet morphologies <i>via</i> metal cross-linking and side chain modifications.","Chemical science","2025","16","40","18832","18837","10.1039/d5sc05237h","","","1","synchrotron","","0.1348","0.1307","","","0.3378","0.3514","","","","","","1.337","","","","has coordinates","303660","2025-11-29","18:39:37",""
"1575642","32.1","0.02","32.1","0.02","90.47","0.07","90","","90","","120","","80732","9","100","2","100","2","","","","","","","","7","P 61 2 2","P 61 2 (0 0 5)","178","","metal–peptide double helical β-sheet tape (Val, Tle)","","- C36.35 H53 Ag F4.05 N7.67 O11.7 S1.35 -","- C36.35 H51 Ag F4.05 N7.675 O11.7 S1.35 -","- C1744.8 H2448 Ag48 F194.4 N368.4 O561.6 S64.8 -","48","4","","Tsunekawa, Eisuke; Nakama, Takahiro; Fujita, Makoto; Sawada, Tomohisa","Engineering β-sheet morphologies <i>via</i> metal cross-linking and side chain modifications.","Chemical science","2025","16","40","18832","18837","10.1039/d5sc05237h","","","0.7","synchrotron","","0.2392","0.1848","","","0.4253","0.4788","","","","","","1.272","","","","has coordinates,has disorder","303660","2025-11-29","18:39:37",""
"1575643","20.786","0.011","35.384","0.01","51.125","0.016","90","","90","","90","","37602","3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","metal–peptide β-bulge structure (Tle, Tle)","","- C36 H53.75 Ag F4.72 N7 O8.38 Sb0.79 -","- C36 H53 Ag F4.725 N7 O8.375 Sb0.7875 -","- C1152 H1696 Ag32 F151.2 N224 O268 Sb25.2 -","32","8","","Tsunekawa, Eisuke; Nakama, Takahiro; Fujita, Makoto; Sawada, Tomohisa","Engineering β-sheet morphologies <i>via</i> metal cross-linking and side chain modifications.","Chemical science","2025","16","40","18832","18837","10.1039/d5sc05237h","","","1","synchrotron","","0.1985","0.1545","","","0.4034","0.4455","","","","","","1.281","","","","has coordinates","303660","2025-11-29","18:39:37",""
"1575644","25.8746","0.0005","25.8746","0.0005","50.6017","0.0008","90","","90","","120","","29338.8","0.9","100","2","100","2","","","","","","","","7","P 32 1 2","P 32 2 (0 0 2)","153","","metal–peptide double helical β-sheet tape (Ile, Val)","","- C36.25 H51 Ag F3.75 N7.62 O10.5 S1.25 -","- C36.25 H51 Ag F3.75 N7.625 O10.5 S1.25 -","- C870 H1224 Ag24 F90 N183 O252 S30 -","24","4","","Tsunekawa, Eisuke; Nakama, Takahiro; Fujita, Makoto; Sawada, Tomohisa","Engineering β-sheet morphologies <i>via</i> metal cross-linking and side chain modifications.","Chemical science","2025","16","40","18832","18837","10.1039/d5sc05237h","","","1.54184","CuKα","","0.228","0.11","","","0.2631","0.2966","","","","","","1.077","","","","has coordinates,has disorder","303660","2025-11-29","18:39:37",""
"1575645","25.794","0.004","25.794","0.004","50.545","0.01","90","","90","","120","","29124","9","100","2","100","2","","","","","","","","7","P 32","P 32","145","","metal–peptide double helical β-sheet tape (Val, Val)","","- C35.58 H51 Ag F4.72 N7.79 O11.65 S1.57 -","- C35.575 H49 Ag F4.725 N7.7875 O11.65 S1.575 -","- C853.8 H1176 Ag24 F113.4 N186.9 O279.6 S37.8 -","24","8","","Tsunekawa, Eisuke; Nakama, Takahiro; Fujita, Makoto; Sawada, Tomohisa","Engineering β-sheet morphologies <i>via</i> metal cross-linking and side chain modifications.","Chemical science","2025","16","40","18832","18837","10.1039/d5sc05237h","","","1.54184","CuKα","","0.0755","0.0736","","","0.1946","0.1992","","","","","","1.035","","","","has coordinates,has disorder","303660","2025-11-29","18:39:37",""
"1575646","24.635","0.007","44.065","0.012","103.3","0.02","90","","90","","90","","112136","5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","metal–peptide helical β-sheet tape (Val, Val) with C12","","- C46.63 H71.33 Ag0.92 F4.9 N7.82 O11.43 S1.63 -","- C46.6333 H71 Ag0.916667 F4.9 N7.81667 O11.4333 S1.63333 -","- C2238.4 H3408 Ag44 F235.2 N375.2 O548.8 S78.4 -","48","12","","Tsunekawa, Eisuke; Nakama, Takahiro; Fujita, Makoto; Sawada, Tomohisa","Engineering β-sheet morphologies <i>via</i> metal cross-linking and side chain modifications.","Chemical science","2025","16","40","18832","18837","10.1039/d5sc05237h","","","1","synchrotron","","0.3468","0.1885","","","0.4201","0.511","","","","","","1.285","","","","has coordinates","303660","2025-11-29","18:39:37",""
"1575647","8.3257","0.0003","9.4769","0.0003","17.6231","0.0006","90","","90","","90","","1390.49","0.08","150","2","150.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H15 Br4 N Pb -","- C7 H18 Br4 N Pb -","- C28 H72 Br16 N4 Pb4 -","4","0.5","","Yang, Gang; Ye, Wei; Shen, Yueqi; Shao, Dong-Sheng; Liu, Jian-Lan; Tian, Zheng-Fang; Ning, Weihua; Ren, Xiao-Ming","Thermally responsive multistate fluorescence coupled with uniaxial negative thermal expansion in 1D lead halide hybrids.","Chemical science","2025","16","40","18766","18774","10.1039/d5sc05322f","","","0.71073","MoKα","","0.0311","0.0284","","","0.0761","0.0776","","","","","","1.063","","","","has coordinates,has disorder","303651","2025-11-29","18:34:46",""
"1575648","8.2813","0.0006","9.5881","0.0007","18.1544","0.0018","90","","90","","90","","1441.5","0.2","321","2","321.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","BR-HTP","","- C7 H15 Br4 N Pb -","- C7 H15 Br4 N Pb -","- C28 H60 Br16 N4 Pb4 -","4","0.5","","Yang, Gang; Ye, Wei; Shen, Yueqi; Shao, Dong-Sheng; Liu, Jian-Lan; Tian, Zheng-Fang; Ning, Weihua; Ren, Xiao-Ming","Thermally responsive multistate fluorescence coupled with uniaxial negative thermal expansion in 1D lead halide hybrids.","Chemical science","2025","16","40","18766","18774","10.1039/d5sc05322f","","","0.71073","MoKα","","0.0554","0.0431","","","0.1128","0.119","","","","","","1.063","","","","has coordinates","303651","2025-11-29","18:34:46",""
"1575649","8.0114","0.0004","9.1767","0.0004","17.0882","0.0007","90","","90","","90","","1256.29","0.1","150","2","150.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Cl-150K","","- C7 H15 Cl4 N Pb -","- C7 H15 Cl4 N Pb -","- C28 H60 Cl16 N4 Pb4 -","4","0.5","","Yang, Gang; Ye, Wei; Shen, Yueqi; Shao, Dong-Sheng; Liu, Jian-Lan; Tian, Zheng-Fang; Ning, Weihua; Ren, Xiao-Ming","Thermally responsive multistate fluorescence coupled with uniaxial negative thermal expansion in 1D lead halide hybrids.","Chemical science","2025","16","40","18766","18774","10.1039/d5sc05322f","","","0.71073","MoKα","","0.0408","0.0371","","","0.1155","0.1219","","","","","","0.731","","","","has coordinates,has disorder","303651","2025-11-29","18:34:46",""
"1575650","7.9422","0.0004","9.3809","0.0005","17.8601","0.0011","90","","90","","90","","1330.67","0.13","390","2","390.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H15 Cl4 N Pb -","- C7 H15 Cl4 N Pb -","- C28 H60 Cl16 N4 Pb4 -","4","0.5","","Yang, Gang; Ye, Wei; Shen, Yueqi; Shao, Dong-Sheng; Liu, Jian-Lan; Tian, Zheng-Fang; Ning, Weihua; Ren, Xiao-Ming","Thermally responsive multistate fluorescence coupled with uniaxial negative thermal expansion in 1D lead halide hybrids.","Chemical science","2025","16","40","18766","18774","10.1039/d5sc05322f","","","0.71073","MoKα","","0.0611","0.0501","","","0.1342","0.1404","","","","","","1.065","","","","has coordinates","303651","2025-11-29","18:34:46",""
"1575651","12.9423","0.0002","19.0119","0.0004","20.27","0.0003","109.672","0.002","93.581","0.001","105.223","0.002","4468.8","0.16","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C80 H56 B4 F16 N12 Pd2 -","- C80 H56 B4 F16 N12 Pd2 -","- C160 H112 B8 F32 N24 Pd4 -","2","1","","Molinska, Paulina; Male, Louise; Lewis, James E. M.","Coordination sphere interactions drive isomer selection in heteroleptic Pd(ii) cages with low-symmetry ligands.","Chemical science","2025","16","38","17939","17947","10.1039/d5sc04881h","","x-ray","1.54184","CuKα","","0.0701","0.0613","","","0.1758","0.1862","","","","","","1.045","","","","has coordinates,has disorder","302563","2025-10-06","08:06:54",""
"1575652","12.5045","0.0004","42.5947","0.0013","15.1704","0.0005","90","","100.318","0.003","90","","7949.5","0.4","100","0.1","100","0.1","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C74 H59 B4 F16 N9 O Pd2 -","- C74 H59 B4 F16 N9 O Pd2 -","- C296 H236 B16 F64 N36 O4 Pd8 -","4","0.5","","Molinska, Paulina; Male, Louise; Lewis, James E. M.","Coordination sphere interactions drive isomer selection in heteroleptic Pd(ii) cages with low-symmetry ligands.","Chemical science","2025","16","38","17939","17947","10.1039/d5sc04881h","","x-ray","1.54184","CuKα","","0.0776","0.0658","","","0.1868","0.2019","","","","","","1.024","","","","has coordinates,has disorder","302563","2025-10-06","08:06:54",""
"1575653","11.4465","0.0002","18.8695","0.0004","20.7359","0.0004","63.129","0.002","85.66","0.002","82.854","0.002","3963.17","0.15","99.99","0.1","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H54 B4 F16 N14 Pd2 -","- C72 H54 B4 F16 N14 Pd2 -","- C144 H108 B8 F32 N28 Pd4 -","2","1","","Molinska, Paulina; Male, Louise; Lewis, James E. M.","Coordination sphere interactions drive isomer selection in heteroleptic Pd(ii) cages with low-symmetry ligands.","Chemical science","2025","16","38","17939","17947","10.1039/d5sc04881h","","","1.54184","CuKα","","0.0973","0.0789","","","0.218","0.2323","","","","","","1.028","","","","has coordinates,has disorder","302563","2025-10-06","08:06:54",""
"1575654","25.5025","0.0004","23.9957","0.0002","25.7921","0.0004","90","","118.148","0.002","90","","13916.8","0.4","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H78 Cl2 N4 P2 -","- C57 H78 Cl2 N4 P2 -","- C456 H624 Cl16 N32 P16 -","8","1","","Liu, Shihua; Zheng, Shunlin; Lin, Jieli; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Büchner-type ring expansion of aromatic main-group biradicaloids toward phosphorus radical-derived NIR-II photothermal materials.","Chemical science","2025","16","40","18775","18782","10.1039/d5sc06158j","","x-ray","1.54184","CuKα","","0.0737","0.0673","","","0.2229","0.2286","","","","","","1.075","","","","has coordinates,has disorder","303659","2025-11-29","18:38:26",""
"1575655","15.6986","0.0003","24.4943","0.0004","16.1351","0.0003","90","","112.034","0.002","90","","5751.2","0.2","100","0.2","100","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H77 Cl N4 P2 -","- C57 H77 Cl N4 P2 -","- C228 H308 Cl4 N16 P8 -","4","0.5","","Liu, Shihua; Zheng, Shunlin; Lin, Jieli; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Büchner-type ring expansion of aromatic main-group biradicaloids toward phosphorus radical-derived NIR-II photothermal materials.","Chemical science","2025","16","40","18775","18782","10.1039/d5sc06158j","","x-ray","1.54184","CuKα","","0.0484","0.0448","","","0.114","0.1164","","","","","","1.041","","","","has coordinates,has disorder","303659","2025-11-29","18:38:26",""
"1575656","16.5434","0.0014","12.843","0.0011","25.526","0.002","90","","102.619","0.004","90","","5292.4","0.8","150","","150","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C57 H77 N4 P2 -","- C57 H77 N4 P2 -","- C228 H308 N16 P8 -","4","1","","Liu, Shihua; Zheng, Shunlin; Lin, Jieli; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Büchner-type ring expansion of aromatic main-group biradicaloids toward phosphorus radical-derived NIR-II photothermal materials.","Chemical science","2025","16","40","18775","18782","10.1039/d5sc06158j","","","0.71073","MoKα","","0.1132","0.0992","","","0.2766","0.2879","","","","","","1.069","","","","has coordinates,has disorder","303659","2025-11-29","18:38:26",""
"1575657","13.0129","0.0001","24.5134","0.0001","24.1033","0.0001","90","","102.906","0.001","90","","7494.49","0.08","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C81 H94 Cl2 F4 N4 P2 -","- C81 H94 Cl2 F4 N4 P2 -","- C324 H376 Cl8 F16 N16 P8 -","4","1","","Liu, Shihua; Zheng, Shunlin; Lin, Jieli; Grützmacher, Hansjörg; Su, Cheng-Yong; Li, Zhongshu","Büchner-type ring expansion of aromatic main-group biradicaloids toward phosphorus radical-derived NIR-II photothermal materials.","Chemical science","2025","16","40","18775","18782","10.1039/d5sc06158j","","x-ray","1.54184","CuKα","","0.0615","0.0573","","","0.1605","0.1642","","","","","","1.031","","","","has coordinates,has disorder","303659","2025-11-29","18:38:26",""
"1575658","11.1708","0.0003","12.7473","0.0003","30.2636","0.0008","90","","90.188","0.002","90","","4309.44","0.19","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H50 N2 O10 -","- C50 H50 N2 O10 -","- C200 H200 N8 O40 -","4","1","","Gentilini, Emilie; Bouschon, Anaïs; Davenel, Vincent; Fontaine-Vive, Fabien; Fourquez, Jean-Marie; Michelet, Véronique","Silver- and gold-catalyzed divergent cascade cycloisomerization/[3 + 2] <i>versus</i> [2 + 2 + 1] cycloaddition towards a stereoselective access to heterohexacyclic derivatives.","Chemical science","2025","16","38","17611","17620","10.1039/d5sc05338b","","x-ray","0.71073","MoKα","","0.1266","0.0768","","","0.1938","0.2273","","","","","","1.034","","","","has coordinates,has disorder","302558","2025-10-06","08:05:35",""
"1575659","11.5471","0.0004","16.4155","0.0007","11.7506","0.0005","90","","105.849","0.004","90","","2142.67","0.15","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N O5 -","- C25 H25 N O5 -","- C100 H100 N4 O20 -","4","1","","Gentilini, Emilie; Bouschon, Anaïs; Davenel, Vincent; Fontaine-Vive, Fabien; Fourquez, Jean-Marie; Michelet, Véronique","Silver- and gold-catalyzed divergent cascade cycloisomerization/[3 + 2] <i>versus</i> [2 + 2 + 1] cycloaddition towards a stereoselective access to heterohexacyclic derivatives.","Chemical science","2025","16","38","17611","17620","10.1039/d5sc05338b","","x-ray","0.71073","MoKα","","0.0812","0.0618","","","0.1676","0.1849","","","","","","1.043","","","","has coordinates","302558","2025-10-06","08:05:35",""
"1575660","9.9369","0.0003","10.2194","0.0002","17.2209","0.0004","90.8586","0.0018","95.7957","0.0019","106.056","0.002","1670.28","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H36 B I5 N2 Si -","- C27 H36 B I5 N2 Si -","- C54 H72 B2 I10 N4 Si2 -","2","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0305","0.0297","","","0.083","0.0837","","","","","","1.048","","","","has coordinates","303611","2025-11-29","18:19:44",""
"1575661","16.2424","0.0002","21.4873","0.0003","14.3571","0.0002","90","","96.933","0.001","90","","4974.07","0.12","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 B I5 P Si -","- C18 H15 B I5 P Si -","- C144 H120 B8 I40 P8 Si8 -","8","2","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0367","0.0245","","","0.0507","0.0516","","","","","","0.795","","","","has coordinates","303611","2025-11-29","18:19:44",""
"1575662","10.3063","0.0007","13.1717","0.001","17.006","0.0013","102.565","0.006","106.946","0.006","96.664","0.006","2115.3","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 B Cl5 P Si -","- C18 H15 B Cl5 P Si -","- C72 H60 B4 Cl20 P4 Si4 -","4","2","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0693","0.047","","","0.1071","0.1198","","","","","","1.023","","","","has coordinates","303611","2025-11-29","18:19:44",""
"1575663","13.9353","0.0003","8.42736","0.00019","13.3513","0.0002","90","","90","","90","","1567.95","0.05","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C5 H5 B I5 N Si -","- C5 H5 B I5 N Si -","- C20 H20 B4 I20 N4 Si4 -","4","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0332","0.032","","","0.0774","0.0782","","","","","","1.038","","","","has coordinates,has disorder","303611","2025-11-29","18:19:44",""
"1575664","9.4185","0.0004","10.7141","0.0005","12.9896","0.0004","75.377","0.003","78.132","0.003","84.148","0.003","1239.48","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 B I5 P Si -","- C18 H15 B I5 P Si -","- C36 H30 B2 I10 P2 Si2 -","2","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0398","0.0359","","","0.0909","0.094","","","","","","1.037","","","","has coordinates","303611","2025-11-29","18:19:44",""
"1575665","8.79053","0.00014","14.6868","0.0002","24.6134","0.0004","90","","90","","90","","3177.71","0.08","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H10 B I5 Si -","- C6 H10 B I5 Si -","- C48 H80 B8 I40 Si8 -","8","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0276","0.0253","","","0.0606","0.0616","","","","","","1.099","","","","has coordinates","303611","2025-11-29","18:19:44",""
"1575666","7.1191","0.0003","16.0988","0.0007","9.7847","0.0003","90","","95.647","0.003","90","","1115.97","0.08","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C2 H6 B Cl5 S Si -","- C2 H6 B Cl5 S Si -","- C8 H24 B4 Cl20 S4 Si4 -","4","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0383","0.0319","","","0.0779","0.0819","","","","","","1.048","","","","has coordinates","303611","2025-11-29","18:19:44",""
"1575667","8.53823","0.00016","9.89175","0.00018","13.7811","0.0003","90","","97.3526","0.0019","90","","1154.35","0.04","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 B Cl5 N Si -","- C5 H5 B Cl5 N Si -","- C20 H20 B4 Cl20 N4 Si4 -","4","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0307","0.0285","","","0.0752","0.0772","","","","","","1.051","","","","has coordinates","303611","2025-11-29","18:19:44",""
"1575668","7.6585","0.0004","14.3673","0.0006","12.0598","0.0007","90","","107.507","0.006","90","","1265.5","0.12","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- B2 I12 Si3 -","- B2 I12 Si3 -","- B4 I24 Si6 -","2","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0501","0.0378","","","0.0746","0.0796","","","","","","1.02","","","","has coordinates,has disorder","303611","2025-11-29","18:19:44",""
"1575669","8.438","0.00017","26.5897","0.0005","12.7476","0.0003","90","","96.835","0.002","90","","2839.77","0.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C2 H6 B I5 S Si -","- C2 H6 B I5 S Si -","- C16 H48 B8 I40 S8 Si8 -","8","2","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0388","0.0336","","","0.0901","0.0944","","","","","","1.05","","","","has coordinates","303611","2025-11-29","18:19:44",""
"1575670","14.68163","0.00019","14.68163","0.00019","15.7976","0.0003","90","","90","","120","","2948.97","0.08","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H15 B I3 P -","- C18 H15 B I3 P -","- C108 H90 B6 I18 P6 -","6","0.333333","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0184","0.0172","","","0.0434","0.0439","","","","","","1.093","","","","has coordinates","303611","2025-11-29","18:19:44",""
"1575671","16.819","0.0009","12.8372","0.0005","16.3668","0.0007","90","","118.691","0.006","90","","3099.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 B I3 N2 -","- C27 H36 B I3 N2 -","- C108 H144 B4 I12 N8 -","4","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.044","0.0394","","","0.0904","0.0923","","","","","","1.182","","","","has coordinates","303611","2025-11-29","18:19:44",""
"1575672","12.877","0.0009","9.8069","0.0006","13.5196","0.001","90","","102.896","0.007","90","","1664.2","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 B Cl5 S Si -","- C10 H12 B Cl5 S Si -","- C40 H48 B4 Cl20 S4 Si4 -","4","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0688","0.0366","","","0.0647","0.0682","","","","","","0.718","","","","has coordinates,has disorder","303611","2025-11-29","18:19:44",""
"1575673","6.88451","0.00012","10.11785","0.00018","24.8575","0.0004","90","","96.7665","0.0017","90","","1719.42","0.05","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 B I5 N Si -","- C7 H9 B I5 N Si -","- C28 H36 B4 I20 N4 Si4 -","4","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.025","0.0231","","","0.0573","0.0586","","","","","","1.116","","","","has coordinates","303611","2025-11-29","18:19:44",""
"1575674","7.2014","0.0004","10.4366","0.0005","10.9255","0.0005","90","","91.266","0.005","90","","820.94","0.07","173","2","173","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C4 H10 B I5 S Si -","- C4 H10 B I5 S Si -","- C8 H20 B2 I10 S2 Si2 -","2","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0559","0.0427","","","0.1199","0.1325","","","","","","1.056","","","","has coordinates","303611","2025-11-29","18:19:44",""
"1575675","7.2744","0.0004","8.7817","0.0004","8.9556","0.0005","85.843","0.004","85.31","0.004","85.904","0.004","567.45","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H10 B I3 S -","- C4 H10 B I3 S -","- C8 H20 B2 I6 S2 -","2","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0248","0.0241","","","0.0627","0.0636","","","","","","1.089","","","","has coordinates","303611","2025-11-29","18:19:44",""
"1575676","17.5229","0.0002","17.5229","0.0002","26.2872","0.0005","90","","90","","120","","6990.16","0.17","173","2","173","2","","","","","","","","6","P 32","P 32","145","","","","- C27 H36 B Cl5 N2 Si -","- C27 H36 B Cl5 N2 Si -","- C243 H324 B9 Cl45 N18 Si9 -","9","3","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0423","0.036","","","0.0802","0.0837","","","","","","1.03","","","","has coordinates","303611","2025-11-29","18:19:44",""
"1575677","15.8306","0.0004","7.30808","0.00016","13.7822","0.0004","90","","90","","90","","1594.48","0.07","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H10 B I5 Si -","- C6 H10 B I5 Si -","- C24 H40 B4 I20 Si4 -","4","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0265","0.0254","","","0.0564","0.0569","","","","","","1.066","","","","has coordinates","303611","2025-11-29","18:19:44",""
"1575678","8.41865","0.00016","13.8073","0.0003","12.3034","0.0002","90","","91.499","0.0018","90","","1429.64","0.05","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C2 H6 B I5 S Si -","- C2 H6 B I5 S Si -","- C8 H24 B4 I20 S4 Si4 -","4","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0352","0.0329","","","0.0836","0.0851","","","","","","1.086","","","","has coordinates","303611","2025-11-29","18:19:44",""
"1575679","12.2698","0.0004","12.935","0.0005","13.0533","0.0005","90","","90","","90","","2071.69","0.13","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C8 H20 B Cl0.97 I5.03 N Si -","- C8 H20 B Cl0.9725 I5.0275 N Si -","- C32 H80 B4 Cl3.89 I20.11 N4 Si4 -","4","1","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0326","0.0305","","","0.0722","0.0741","","","","","","1.046","","","","has coordinates","303611","2025-11-29","18:19:44",""
"1575680","11.4943","0.0004","12.1239","0.0004","12.3124","0.0005","90","","90","","90","","1715.8","0.11","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C8 H20 B Cl6 N Si -","- C8 H20 B Cl6 N Si -","- C32 H80 B4 Cl24 N4 Si4 -","4","0.5","","Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.","Chemical science","2025","16","43","20329","20343","10.1039/d5sc06234a","","","0.71073","MoKα","","0.0371","0.0286","","","0.0692","0.0742","","","","","","1.059","","","","has coordinates","303611","2025-11-29","18:19:44",""
"1575694","23.9328","0.001","7.6621","0.0003","19.9111","0.0008","90","","90","","90","","3651.2","0.3","123","2","123","2","","","","","","","","2","C m c 21","C 2c -2","36","","","","- C24 H24 -","- C24 H24 -","- C192 H192 -","8","1","","Kato, Tomoki; Imoto, Daiki; Yagi, Akiko; Itami, Kenichiro","Making non-emissive [6]cycloparaphenylene fluorescent by simple multiple methyl substitution.","Chemical science","2025","16","40","18952","18958","10.1039/d5sc04694g","","x-ray","0.71073","MoKα","","0.0418","0.0395","","","0.1055","0.107","","","","","","1.056","","","","has coordinates","303657","2025-11-29","18:36:53",""
"1575695","23.0613","0.0011","40.0796","0.0019","47.019","0.003","107.602","0.003","97.397","0.003","90.05","0.003","41043","4","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C600 H180 Ag71 Au74 Cl18 F360 -","- C600 H180 Ag71 Au74 Cl18 F360 -","- C1200 H360 Ag142 Au148 Cl36 F720 -","2","1","","Gu, Yuming; Gu, Yating; Yang, Maochen; Tang, Shisi; Chen, Jiawei; Liang, Xinyi; Zheng, Dong; Li, Zekun; Song, Fengqi; Gao, Yang; Zhu, Yan; Shi, Yinghuan; Ma, Jing","High-throughput design of bimetallic materials <i>via</i> multimodal machine learning and the accessibility index.","Chemical science","2025","16","42","19644","19657","10.1039/d5sc04386g","","x-ray","1.54178","CuKα","","0.1882","0.1375","","","0.3209","0.3418","","","","","","1.478","","","","has coordinates","303632","2025-11-29","18:27:50",""
"1575696","22.774","0.003","18.278","0.003","34.488","0.004","90","","95.28","0.004","90","","14295","3","193","","193","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C144 H120 Au10.03 Cl2 P8 Rh0.97 -","- C144 H120 Au10.03 Cl2 P8 Rh0.97 -","- C576 H480 Au40.12 Cl8 P32 Rh3.88 -","4","1","","Gu, Yuming; Gu, Yating; Yang, Maochen; Tang, Shisi; Chen, Jiawei; Liang, Xinyi; Zheng, Dong; Li, Zekun; Song, Fengqi; Gao, Yang; Zhu, Yan; Shi, Yinghuan; Ma, Jing","High-throughput design of bimetallic materials <i>via</i> multimodal machine learning and the accessibility index.","Chemical science","2025","16","42","19644","19657","10.1039/d5sc04386g","","","0.71073","MoKα","","0.0602","0.0415","","","0.0965","0.1044","","","","","","0.996","","","","has coordinates,has disorder","303632","2025-11-29","18:27:50",""
"1575697","9.232","0.0007","9.3771","0.0006","23.9503","0.0017","90","","90","","90","","2073.4","0.3","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H18 N2 O S -","- C26 H18 N2 O S -","- C104 H72 N8 O4 S4 -","4","1","","Koner, Mainak; Ballav, Nityananda; Varma, Anirudh J.; Ghosh, Suman; Mondal, Tuhin; Kuniyil, Rositha; Baidya, Mahiuddin","Multifaceted photocatalysis enables cobalt catalyzed enantioselective C-H activation and APEX reaction for C-N axially chiral molecules.","Chemical science","2025","16","41","19296","19303","10.1039/d5sc05287d","","","0.71073","MoKα","","0.0422","0.0396","","","0.1087","0.111","","","","","","1.097","","","","has coordinates","303603","2025-11-29","18:16:28",""
"1575698","6.1608","0.0015","13.731","0.003","17.545","0.004","90.119","0.008","90.084","0.01","94.565","0.009","1479.5","0.6","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","hq","","- C26 H34 B2 Br2 N6 O2 -","- C26 H34 B2 Br2 N6 O2 -","- C52 H68 B4 Br4 N12 O4 -","2","1","","Huang, Qiang; Li, Na; Zhang, Panke; Li, Hongji","Photoinduced boryl-oximation of alkenes <i>via</i> NHC-boryl radical generation.","Chemical science","2025","16","41","19263","19270","10.1039/d5sc03708e","","","0.71073","MoKα","","0.0474","0.0354","","","0.0822","0.0881","","","","","","1.024","","","","has coordinates","303605","2025-11-29","18:16:56",""
"1575726","7.6538","0.0003","8.5766","0.0004","9.757","0.0004","107.303","0.002","93.087","0.002","110.668","0.002","563.03","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H9 N2 O4 Re -","- C10 H9 N2 O4 Re -","- C20 H18 N4 O8 Re2 -","2","1","","Semyonov, Oleg; Antonkin, Nikita S.; Radzhabov, Amirbek D.; Pizzi, Andrea; Lo Iacono, Cristina; Guselnikova, Olga; Burguera, Sergi; Frontera, Antonio; Resnati, Giuseppe; Postnikov, Pavel S.","Matere bond identification in non-crystalline materials by using X-ray photoelectron spectroscopy.","Chemical science","2025","16","40","18928","18935","10.1039/d5sc04587h","","","0.71073","MoKα","","0.0224","0.0203","","","0.0511","0.0522","","","","","","1.062","","","","has coordinates","303653","2025-11-29","18:35:33",""
"1575727","12.9973","0.0014","14.0051","0.0016","4.881","0.0005","90","","90","","90","","888.48","0.17","296","2","296","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- C13 H16 N2 O8 Re2 -","- C13 H16 N2 O8 Re2 -","- C26 H32 N4 O16 Re4 -","2","0.25","","Semyonov, Oleg; Antonkin, Nikita S.; Radzhabov, Amirbek D.; Pizzi, Andrea; Lo Iacono, Cristina; Guselnikova, Olga; Burguera, Sergi; Frontera, Antonio; Resnati, Giuseppe; Postnikov, Pavel S.","Matere bond identification in non-crystalline materials by using X-ray photoelectron spectroscopy.","Chemical science","2025","16","40","18928","18935","10.1039/d5sc04587h","","","0.71073","MoKα","","0.0438","0.034","","","0.0918","0.101","","","","","","1.012","","","","has coordinates","303653","2025-11-29","18:35:33",""
"1575728","5.3101","0.0013","8.97","0.002","19.831","0.005","90","","91.42","0.01","90","","944.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H5 I N O4 Re -","- C5 H5 I N O4 Re -","- C20 H20 I4 N4 O16 Re4 -","4","1","","Semyonov, Oleg; Antonkin, Nikita S.; Radzhabov, Amirbek D.; Pizzi, Andrea; Lo Iacono, Cristina; Guselnikova, Olga; Burguera, Sergi; Frontera, Antonio; Resnati, Giuseppe; Postnikov, Pavel S.","Matere bond identification in non-crystalline materials by using X-ray photoelectron spectroscopy.","Chemical science","2025","16","40","18928","18935","10.1039/d5sc04587h","","","0.71073","MoKα","","0.0479","0.0261","","","0.0717","0.108","","","","","","1.024","","","","has coordinates","303653","2025-11-29","18:35:33",""
"1575729","7.8636","0.001","7.4532","0.001","26.182","0.003","90","","90","","90","","1534.5","0.3","173","","173","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H12 N2 O4 Se2 -","- C14 H12 N2 O4 Se2 -","- C56 H48 N8 O16 Se8 -","4","0.5","","Roy, Biswajit; Das, Eshani; Shieh, Meg; Ogata, Seiryo; Jung, Minkyung; Fujita, Hiroaki; Zhang, Sen; Robinson, Jerome R.; Akaike, Takaaki; Xian, Ming","Light responsive hydrogen selenide (H<sub>2</sub>Se)/hydrogen diselenide (H<sub>2</sub>Se<sub>2</sub>) donors: applied for protein <i>S</i>-selenylation on PRDX6.","Chemical science","2025","16","41","19178","19186","10.1039/d5sc05141j","","","0.71073","MoKα","","0.0671","0.0585","","","0.1481","0.1522","","","","","","1.286","","","","has coordinates","303608","2025-11-29","18:18:06",""
"1575730","23.838","0.004","4.4908","0.0007","13.269","0.002","90","","90","","90","","1420.5","0.4","173","","173","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H12 N2 O4 Se -","- C14 H12 N2 O4 Se -","- C56 H48 N8 O16 Se4 -","4","1","","Roy, Biswajit; Das, Eshani; Shieh, Meg; Ogata, Seiryo; Jung, Minkyung; Fujita, Hiroaki; Zhang, Sen; Robinson, Jerome R.; Akaike, Takaaki; Xian, Ming","Light responsive hydrogen selenide (H<sub>2</sub>Se)/hydrogen diselenide (H<sub>2</sub>Se<sub>2</sub>) donors: applied for protein <i>S</i>-selenylation on PRDX6.","Chemical science","2025","16","41","19178","19186","10.1039/d5sc05141j","","","0.71073","MoKα","","0.0369","0.0299","","","0.0684","0.0714","","","","","","1.081","","","","has coordinates,has disorder","303608","2025-11-29","18:18:06",""
"1575731","28.028","0.005","6.0222","0.0012","15.257","0.003","90","","107.449","0.006","90","","2456.7","0.8","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 O4 Se -","- C30 H30 O4 Se -","- C120 H120 O16 Se4 -","4","0.5","","Roy, Biswajit; Das, Eshani; Shieh, Meg; Ogata, Seiryo; Jung, Minkyung; Fujita, Hiroaki; Zhang, Sen; Robinson, Jerome R.; Akaike, Takaaki; Xian, Ming","Light responsive hydrogen selenide (H<sub>2</sub>Se)/hydrogen diselenide (H<sub>2</sub>Se<sub>2</sub>) donors: applied for protein <i>S</i>-selenylation on PRDX6.","Chemical science","2025","16","41","19178","19186","10.1039/d5sc05141j","","","0.71073","MoKα","","0.0942","0.0883","","","0.2316","0.2341","","","","","","1.267","","","","has coordinates","303608","2025-11-29","18:18:06",""
"1575732","16.8219","0.0015","31.443","0.003","33.812","0.003","90","","98.172","0.002","90","","17703","3","193","","193","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Au10(DPPF)4PPh3","","- C162 H143 Au10 Cl17 Fe4 P9 -","- C155 H129 Au10 Cl3 Fe4 P9 -","- C620 H516 Au40 Cl12 Fe16 P36 -","4","1","","Li, Guangjun; Li, Guoao; Liang, Xinyi; Tian, Yiqi; Lu, Jinzhi; Xu, Xinyi; Liu, Xu; Ma, Jing; Li, Shuhua; Zhu, Yan","An atomically precise Au<sub>10</sub>(DPPF)<sub>4</sub>PPh<sub>3</sub> cluster catalyst for N-hydroformylation of amines.","Chemical science","2025","16","40","18642","18651","10.1039/d5sc06255a","","","0.71073","MoKα","","0.0963","0.0621","","","0.1354","0.1526","","","","","","1.03","","","","has coordinates","303654","2025-11-29","18:36:04",""
"1575733","9.3425","0.0001","12.0825","0.0002","12.1874","0.0002","109.651","0.001","99.347","0.001","100.868","0.001","1233.85","0.03","297.12","0.1","297.12","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C52.67 H45 Cu2 I2 N2 O0.67 P2 -","- C52.6666 H44.6664 Cu2 I2 N2 O0.6666 P2 -","- C52.6666 H44.6664 Cu2 I2 N2 O0.6666 P2 -","1","0.5","","Zhang, Hong-Jin; Chen, Zong-Ren; Chen, Wan-Tao; Ye, Jia-Wen; Chen, Ling","Tailoring luminescent oxygen sensitivity <i>via</i> structural design and its application in pressure-induced emission enhancement.","Chemical science","2025","16","40","18799","18805","10.1039/d5sc05999b","","x-ray","1.54184","CuKα","","0.0319","0.0308","","","0.0836","0.0845","","","","","","1.078","","","","has coordinates","303655","2025-11-29","18:36:17",""
"1575734","9.2949","0.0003","11.8875","0.0005","11.9565","0.0004","108.23","0.003","100.23","0.003","100.811","0.003","1192.35","0.08","296.93","0.1","296.93","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C52 H42 Br2 Cu2 N2 P2 -","- C52 H42 Br2 Cu2 N2 P2 -","- C52 H42 Br2 Cu2 N2 P2 -","1","0.5","","Zhang, Hong-Jin; Chen, Zong-Ren; Chen, Wan-Tao; Ye, Jia-Wen; Chen, Ling","Tailoring luminescent oxygen sensitivity <i>via</i> structural design and its application in pressure-induced emission enhancement.","Chemical science","2025","16","40","18799","18805","10.1039/d5sc05999b","","x-ray","1.54184","CuKα","","0.0358","0.033","","","0.0955","0.0973","","","","","","1.052","","","","has coordinates","303655","2025-11-29","18:36:17",""
"1575735","9.2912","0.0002","11.7601","0.0002","11.7999","0.0002","107.136","0.002","100.739","0.001","100.697","0.002","1170.11","0.04","297.38","0.1","297.38","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C52 H42 Cl2 Cu2 N2 P2 -","- C52 H42 Cl2 Cu2 N2 P2 -","- C52 H42 Cl2 Cu2 N2 P2 -","1","0.5","","Zhang, Hong-Jin; Chen, Zong-Ren; Chen, Wan-Tao; Ye, Jia-Wen; Chen, Ling","Tailoring luminescent oxygen sensitivity <i>via</i> structural design and its application in pressure-induced emission enhancement.","Chemical science","2025","16","40","18799","18805","10.1039/d5sc05999b","","x-ray","1.54184","CuKα","","0.0335","0.0324","","","0.0992","0.1003","","","","","","1.059","","","","has coordinates","303655","2025-11-29","18:36:17",""
"1575736","9.3779","0.0001","12.037","0.0002","12.1052","0.0002","108.854","0.002","99.325","0.001","101.378","0.001","1229.61","0.04","293.8","0.2","293.8","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H42 Cu2 I2 N2 P2 -","- C52 H42 Cu2 I2 N2 P2 -","- C52 H42 Cu2 I2 N2 P2 -","1","0.5","","Zhang, Hong-Jin; Chen, Zong-Ren; Chen, Wan-Tao; Ye, Jia-Wen; Chen, Ling","Tailoring luminescent oxygen sensitivity <i>via</i> structural design and its application in pressure-induced emission enhancement.","Chemical science","2025","16","40","18799","18805","10.1039/d5sc05999b","","x-ray","1.54184","CuKα","","0.0245","0.0218","","","0.0499","0.0508","","","","","","1.04","","","","has coordinates","303655","2025-11-29","18:36:17",""
"1575737","9.2424","0.0001","11.8969","0.0002","11.9954","0.0002","108.728","0.001","100.85","0.001","100.625","0.001","1183.54","0.03","296.9","0.2","296.9","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C52.67 H44.67 Cl2 Cu2 N2 O0.67 P2 -","- C52.6666 H44.6664 Cl2 Cu2 N2 O0.6666 P2 -","- C52.6666 H44.6664 Cl2 Cu2 N2 O0.6666 P2 -","1","0.5","","Zhang, Hong-Jin; Chen, Zong-Ren; Chen, Wan-Tao; Ye, Jia-Wen; Chen, Ling","Tailoring luminescent oxygen sensitivity <i>via</i> structural design and its application in pressure-induced emission enhancement.","Chemical science","2025","16","40","18799","18805","10.1039/d5sc05999b","","x-ray","1.54184","CuKα","","0.0384","0.0356","","","0.1099","0.1128","","","","","","1.086","","","","has coordinates","303655","2025-11-29","18:36:17",""
"1575738","9.2653","0.0003","12.0008","0.0004","12.0094","0.0004","109.053","0.003","100.228","0.003","100.638","0.003","1199.15","0.08","294.5","0.3","294.5","0.3","","","","","","","","7","P -1","-P 1","2","","","","- C52.67 H44.67 Br2 Cu2 N2 O0.67 P2 -","- C52.6666 H44.6664 Br2 Cu2 N2 O0.6666 P2 -","- C52.6666 H44.6664 Br2 Cu2 N2 O0.6666 P2 -","1","0.5","","Zhang, Hong-Jin; Chen, Zong-Ren; Chen, Wan-Tao; Ye, Jia-Wen; Chen, Ling","Tailoring luminescent oxygen sensitivity <i>via</i> structural design and its application in pressure-induced emission enhancement.","Chemical science","2025","16","40","18799","18805","10.1039/d5sc05999b","","x-ray","1.54184","CuKα","","0.035","0.0312","","","0.0929","0.0961","","","","","","1.035","","","","has coordinates","303655","2025-11-29","18:36:17",""
"1575739","10.87","0.003","8.037","0.003","14.993","0.004","90","","104.871","0.01","90","","1266","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H38 Cl Ir N4 O P2 -","- C21 H38 Cl Ir N4 O P2 -","- C42 H76 Cl2 Ir2 N8 O2 P4 -","2","0.5","","Abdolrahimi, Amin; Woite, Philipp; Kretschmar, Konrad; Roemelt, Michael; Braun, Thomas; He, Ouchan","Sequential one-pot <i>N</i>-alkylation and aminocarbonylation of primary amines catalyzed by heterobimetallic Ir/Pd complexes.","Chemical science","2025","16","41","19414","19422","10.1039/d5sc03892h","","","0.71073","MoKα","","0.0131","0.0125","","","0.0307","0.031","","","","","","1.101","","","","has coordinates,has disorder","303610","2025-11-29","18:18:52",""
"1575740","8.7278","0.0008","10.1403","0.0008","20.1959","0.0017","104.039","0.003","92.766","0.003","92.412","0.003","1729.3","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C23 H46 Cl3 Ir N4 O3 P2 Pd S2 -","- C23 H46 Cl3 Ir N4 O3 P2 Pd S2 -","- C46 H92 Cl6 Ir2 N8 O6 P4 Pd2 S4 -","2","1","","Abdolrahimi, Amin; Woite, Philipp; Kretschmar, Konrad; Roemelt, Michael; Braun, Thomas; He, Ouchan","Sequential one-pot <i>N</i>-alkylation and aminocarbonylation of primary amines catalyzed by heterobimetallic Ir/Pd complexes.","Chemical science","2025","16","41","19414","19422","10.1039/d5sc03892h","","","0.71073","MoKα","","0.0172","0.0165","","","0.0408","0.0412","","","","","","1.054","","","","has coordinates,has disorder","303610","2025-11-29","18:18:52",""
"1575741","17.4799","0.0009","16.3925","0.0009","21.6284","0.0013","90","","90","","90","","6197.4","0.6","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C34.93 H30 Cl1.07 Ir N2 O0.93 P2 -","- C34.933 H30 Cl1.067 Ir N2 O0.933 P2 -","- C279.464 H240 Cl8.536 Ir8 N16 O7.464 P16 -","8","1","","Abdolrahimi, Amin; Woite, Philipp; Kretschmar, Konrad; Roemelt, Michael; Braun, Thomas; He, Ouchan","Sequential one-pot <i>N</i>-alkylation and aminocarbonylation of primary amines catalyzed by heterobimetallic Ir/Pd complexes.","Chemical science","2025","16","41","19414","19422","10.1039/d5sc03892h","","","0.71073","MoKα","","0.051","0.0316","","","0.0657","0.0756","","","","","","1.028","","","","has coordinates,has disorder","303610","2025-11-29","18:18:52",""
"1575776","19.4243","0.0008","19.4243","0.0008","11.5952","0.0006","90","","90","","120","","3788.8","0.3","293.1","0.2","293.1","0.2","","","","","","","","5","P -6 m 2","P -6 2","187","","","","- C71 H44 Fe3 N6 O13 -","- C71 H44 Fe3 N6 O13 -","- C71 H44 Fe3 N6 O13 -","1","0.0833333","","Liang, Gang; Chen, De-Jian; Long, Zhu-Jun; Zhuo, Hao; Zhong, Xiao-Feng; Chen, Xiong-Hai; Shao, Huai-Yu; Mo, Zong-Wen; Chen, Xiao-Ming","Efficient capture of trace benzene vapor by metal-organic frameworks modified with macrocyclic pyridyl ligands.","Chemical science","2025","16","42","19867","19875","10.1039/d5sc05093f","","x-ray","1.54184","CuKα","","0.1554","0.0946","","","0.2693","0.333","","","","","","1.05","","","","has coordinates,has disorder","303635","2025-11-29","18:29:04",""
"1575777","19.5213","0.0006","19.5213","0.0006","11.4015","0.0006","90","","90","","120","","3762.8","0.3","293","2","293","2","","","","","","","","5","P -6 m 2","P -6 2","187","","","","- C71.36 H36.03 Fe3 N4 O15 -","- C71.3589 H36.026 Fe3 N3.9981 O14.9998 -","- C71.3589 H36.026 Fe3 N3.9981 O14.9998 -","1","0.0833333","","Liang, Gang; Chen, De-Jian; Long, Zhu-Jun; Zhuo, Hao; Zhong, Xiao-Feng; Chen, Xiong-Hai; Shao, Huai-Yu; Mo, Zong-Wen; Chen, Xiao-Ming","Efficient capture of trace benzene vapor by metal-organic frameworks modified with macrocyclic pyridyl ligands.","Chemical science","2025","16","42","19867","19875","10.1039/d5sc05093f","","x-ray","1.54184","CuKα","","0.0911","0.0734","","","0.2085","0.2275","","","","","","1.002","","","","has coordinates,has disorder","303635","2025-11-29","18:29:04",""
"1575778","19.5208","0.0007","19.5208","0.0007","11.499","0.0007","90","","90","","120","","3794.8","0.3","293","2","293","2","","","","","","","","5","P -6 m 2","P -6 2","187","","","","- C74.49 H40 Fe3 N2 O13 -","- C74.493 H39.9998 Fe3 N2.0001 O13 -","- C74.493 H39.9998 Fe3 N2.0001 O13 -","1","0.0833333","","Liang, Gang; Chen, De-Jian; Long, Zhu-Jun; Zhuo, Hao; Zhong, Xiao-Feng; Chen, Xiong-Hai; Shao, Huai-Yu; Mo, Zong-Wen; Chen, Xiao-Ming","Efficient capture of trace benzene vapor by metal-organic frameworks modified with macrocyclic pyridyl ligands.","Chemical science","2025","16","42","19867","19875","10.1039/d5sc05093f","","x-ray","1.54184","CuKα","","0.0847","0.0761","","","0.2116","0.2216","","","","","","1.026","","","","has coordinates,has disorder","303635","2025-11-29","18:29:04",""
"1575779","19.7696","0.0007","19.7696","0.0007","11.1567","0.0004","90","","90","","120","","3776.3","0.2","293","2","293","2","","","","","","","","5","P -6 m 2","P -6 2","187","","","","- C89 H48 Fe3 N3 O13 -","- C89 H48 Fe3 N3 O13 -","- C89 H48 Fe3 N3 O13 -","1","0.0833333","","Liang, Gang; Chen, De-Jian; Long, Zhu-Jun; Zhuo, Hao; Zhong, Xiao-Feng; Chen, Xiong-Hai; Shao, Huai-Yu; Mo, Zong-Wen; Chen, Xiao-Ming","Efficient capture of trace benzene vapor by metal-organic frameworks modified with macrocyclic pyridyl ligands.","Chemical science","2025","16","42","19867","19875","10.1039/d5sc05093f","","x-ray","1.54184","CuKα","","0.0823","0.0738","","","0.2325","0.2428","","","","","","1.133","","","","has coordinates,has disorder","303635","2025-11-29","18:29:04",""
"1575780","19.4911","0.0012","19.4911","0.0012","11.4691","0.0011","90","","90","","120","","3773.4","0.5","293","2","293","2","","","","","","","","5","P -6 m 2","P -6 2","187","","","","- C77 H41 Fe3 N3 O16 -","- C77 H41 Fe3 N3 O16 -","- C77 H41 Fe3 N3 O16 -","1","0.0833333","","Liang, Gang; Chen, De-Jian; Long, Zhu-Jun; Zhuo, Hao; Zhong, Xiao-Feng; Chen, Xiong-Hai; Shao, Huai-Yu; Mo, Zong-Wen; Chen, Xiao-Ming","Efficient capture of trace benzene vapor by metal-organic frameworks modified with macrocyclic pyridyl ligands.","Chemical science","2025","16","42","19867","19875","10.1039/d5sc05093f","","x-ray","1.54184","CuKα","","0.0875","0.0779","","","0.2085","0.2179","","","","","","1.012","","","","has coordinates,has disorder","303635","2025-11-29","18:29:04",""
"1575781","19.1879","0.0007","19.1879","0.0007","11.9176","0.0005","90","","90","","120","","3799.9","0.3","150","0.13","150","0.13","","","","","","","","5","P -6 m 2","P -6 2","187","","","","- C99 H60 Fe3 N9 O13 -","- C99 H60 Fe3 N9 O13 -","- C99 H60 Fe3 N9 O13 -","1","0.0833333","","Liang, Gang; Chen, De-Jian; Long, Zhu-Jun; Zhuo, Hao; Zhong, Xiao-Feng; Chen, Xiong-Hai; Shao, Huai-Yu; Mo, Zong-Wen; Chen, Xiao-Ming","Efficient capture of trace benzene vapor by metal-organic frameworks modified with macrocyclic pyridyl ligands.","Chemical science","2025","16","42","19867","19875","10.1039/d5sc05093f","","x-ray","1.54184","CuKα","","0.1184","0.1041","","","0.2887","0.3106","","","","","","1.263","","","","has coordinates,has disorder","303635","2025-11-29","18:29:04",""
"1575782","19.2448","0.001","19.2448","0.001","11.8172","0.0011","90","","90","","120","","3790.3","0.4","293","2","293","2","","","","","","","","5","P -6 m 2","P -6 2","187","","","","- C84 H44 Fe3 N9 O13 -","- C84 H44 Fe3 N9 O13 -","- C84 H44 Fe3 N9 O13 -","1","0.0833333","","Liang, Gang; Chen, De-Jian; Long, Zhu-Jun; Zhuo, Hao; Zhong, Xiao-Feng; Chen, Xiong-Hai; Shao, Huai-Yu; Mo, Zong-Wen; Chen, Xiao-Ming","Efficient capture of trace benzene vapor by metal-organic frameworks modified with macrocyclic pyridyl ligands.","Chemical science","2025","16","42","19867","19875","10.1039/d5sc05093f","","x-ray","1.54184","CuKα","","0.0864","0.0721","","","0.212","0.2231","","","","","","1.13","","","","has coordinates,has disorder","303635","2025-11-29","18:29:04",""
"1575783","19.7386","0.0016","19.7386","0.0016","11.014","0.0012","90","","90","","120","","3716.3","0.6","150","10","150","10","","","","","","","","5","P -6 m 2","P -6 2","187","","","","- C82 H38 Fe3 N6 O19 -","- C81.998 H38 Fe3 N6 O19 -","- C81.998 H38 Fe3 N6 O19 -","1","0.0833333","","Liang, Gang; Chen, De-Jian; Long, Zhu-Jun; Zhuo, Hao; Zhong, Xiao-Feng; Chen, Xiong-Hai; Shao, Huai-Yu; Mo, Zong-Wen; Chen, Xiao-Ming","Efficient capture of trace benzene vapor by metal-organic frameworks modified with macrocyclic pyridyl ligands.","Chemical science","2025","16","42","19867","19875","10.1039/d5sc05093f","","x-ray","1.54184","CuKα","","0.126","0.0926","","","0.2589","0.2943","","","","","","1.037","","","","has coordinates,has disorder","303635","2025-11-29","18:29:04",""
"1575784","19.3746","0.0005","19.3746","0.0005","11.6627","0.0003","90","","90","","120","","3791.36","0.17","293","3","293","3","","","","","","","","6","P -6 m 2","P -6 2","187","","","","- C71 H41 B3 Fe3 N3 O16 -","- C71 H41 B3 Fe3 N3 O16 -","- C71 H41 B3 Fe3 N3 O16 -","1","0.0833333","","Liang, Gang; Chen, De-Jian; Long, Zhu-Jun; Zhuo, Hao; Zhong, Xiao-Feng; Chen, Xiong-Hai; Shao, Huai-Yu; Mo, Zong-Wen; Chen, Xiao-Ming","Efficient capture of trace benzene vapor by metal-organic frameworks modified with macrocyclic pyridyl ligands.","Chemical science","2025","16","42","19867","19875","10.1039/d5sc05093f","","x-ray","1.54184","CuKα","","0.0943","0.0835","","","0.2474","0.2654","","","","","","1.146","","","","has coordinates,has disorder","303635","2025-11-29","18:29:04",""
"1575785","14.2605","0.0018","15.815","0.002","21.051","0.003","72.144","0.005","88.711","0.005","68.682","0.004","4188.5","1","140","2","140","2","","","","","","","","3","P -1","-P 1","2","","","","- C88 H84 N8 -","- C88 H84 N8 -","- C176 H168 N16 -","2","1","","Spergen, Aswini; Bal, Pranav V.; Khan Shameer Shameem, Asif; Joshy, Arun; Nambiar, Anjana P.; Andrews, Alex P.; Sabapathi, Gokulnath","Bis-subporphyrin-like boron(iii) complexes derived from indolo[2,3-<i>a</i>]carbazole-based cyclic bis-BODIPYs exhibiting persistent helical chirality.","Chemical science","2025","16","41","19164","19171","10.1039/d5sc04279h","","","0.71073","MoKα","","0.1057","0.0535","","","0.1223","0.1522","","","","","","1.027","","","","has coordinates,has disorder","303607","2025-11-29","18:17:51",""
"1575786","16.019","0.004","16.711","0.004","17.19","0.004","80.199","0.009","80.159","0.01","87.116","0.009","4466.7","1.9","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H90 B2 F4 N8 O2 -","- C92 H90 B2 F4 N8 O2 -","- C184 H180 B4 F8 N16 O4 -","2","1","","Spergen, Aswini; Bal, Pranav V.; Khan Shameer Shameem, Asif; Joshy, Arun; Nambiar, Anjana P.; Andrews, Alex P.; Sabapathi, Gokulnath","Bis-subporphyrin-like boron(iii) complexes derived from indolo[2,3-<i>a</i>]carbazole-based cyclic bis-BODIPYs exhibiting persistent helical chirality.","Chemical science","2025","16","41","19164","19171","10.1039/d5sc04279h","","","0.71073","MoKα","","0.21","0.0878","","","0.2381","0.3167","","","","","","1.008","","","","has coordinates","303607","2025-11-29","18:17:51",""
"1575787","32.653","0.004","16.997","0.002","30.332","0.004","90","","110.73","0.004","90","","15744","3","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C88 H80 B2 F2 N8 -","- C88 H80 B2 F2 N8 -","- C704 H640 B16 F16 N64 -","8","1","","Spergen, Aswini; Bal, Pranav V.; Khan Shameer Shameem, Asif; Joshy, Arun; Nambiar, Anjana P.; Andrews, Alex P.; Sabapathi, Gokulnath","Bis-subporphyrin-like boron(iii) complexes derived from indolo[2,3-<i>a</i>]carbazole-based cyclic bis-BODIPYs exhibiting persistent helical chirality.","Chemical science","2025","16","41","19164","19171","10.1039/d5sc04279h","","","0.71073","MoKα","","0.2075","0.0887","","","0.2308","0.3226","","","","","","0.998","","","","has coordinates,has disorder","303607","2025-11-29","18:17:51",""
"1575788","15.5","0.003","9.04","0.0018","18.05","0.004","90","","99.3","0.03","90","","2495.9","0.9","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H76 Ge2 N2 P2 Si2 -","- C50 H76 Ge2 N2 P2 Si2 -","- C100 H152 Ge4 N4 P4 Si4 -","2","0.5","","Schulz, Annika; Heinz, Myron; Holthausen, Max C.; Hadlington, Terrance J.","The path to an open-shell metallo-germylene: direct ligation, or reduction and metathesis?","Chemical science","2025","16","43","20265","20274","10.1039/d5sc04265h","","","0.71073","MoKα","","0.0386","0.0295","","","0.0662","0.0696","","","","","","1.142","","","","has coordinates","303617","2025-11-29","18:22:20",""
"1575789","13.86","0.003","10.42","0.002","20.49","0.004","90","","93.4","0.03","90","","2954","1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H86 Ge2 N2 P2 Si2 -","- C62 H86 Ge2 N2 P2 Si2 -","- C124 H172 Ge4 N4 P4 Si4 -","2","0.5","","Schulz, Annika; Heinz, Myron; Holthausen, Max C.; Hadlington, Terrance J.","The path to an open-shell metallo-germylene: direct ligation, or reduction and metathesis?","Chemical science","2025","16","43","20265","20274","10.1039/d5sc04265h","","","0.71073","MoKα","","0.1025","0.0576","","","0.13","0.1547","","","","","","0.981","","","","has coordinates","303617","2025-11-29","18:22:20",""
"1575790","13.12","0.003","13.45","0.003","21.66","0.004","88","0.03","76.1","0.03","72.3","0.03","3531.6","1.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H91 Co Ge2 N4 P2 Si2 -","- C63 H91 Co Ge2 N4 P2 Si2 -","- C126 H182 Co2 Ge4 N8 P4 Si4 -","2","1","","Schulz, Annika; Heinz, Myron; Holthausen, Max C.; Hadlington, Terrance J.","The path to an open-shell metallo-germylene: direct ligation, or reduction and metathesis?","Chemical science","2025","16","43","20265","20274","10.1039/d5sc04265h","","","0.71073","MoKα","","0.0809","0.0409","","","0.0849","0.0943","","","","","","0.898","","","","has coordinates","303617","2025-11-29","18:22:20",""
"1575791","11.8843","0.0013","13.7126","0.0013","19.676","0.002","107.207","0.004","96.78","0.004","107.081","0.003","2853.2","0.5","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C69 H58 O4 P2 S4 -","- C69 H58 O4 P2 S4 -","- C138 H116 O8 P4 S8 -","2","1","","Schulz, Annika; Heinz, Myron; Holthausen, Max C.; Hadlington, Terrance J.","The path to an open-shell metallo-germylene: direct ligation, or reduction and metathesis?","Chemical science","2025","16","43","20265","20274","10.1039/d5sc04265h","","x-ray","0.71073","MoKα","","0.0662","0.0554","","","0.1433","0.1512","","","","","","1.056","","","","has coordinates","303617","2025-11-29","18:22:20",""
"1575792","32.5","0.007","19.92","0.004","28.05","0.006","90","","90","","90","","18160","7","150","2","150","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C90 H91 B Co F24 Ge N3 P Si -","- C89.9999 H91 B Co F24 Ge N3 P Si -","- C719.999 H728 B8 Co8 F192 Ge8 N24 P8 Si8 -","8","2","","Schulz, Annika; Heinz, Myron; Holthausen, Max C.; Hadlington, Terrance J.","The path to an open-shell metallo-germylene: direct ligation, or reduction and metathesis?","Chemical science","2025","16","43","20265","20274","10.1039/d5sc04265h","","","0.71073","MoKα","","0.0812","0.0601","","","0.1544","0.1673","","","","","","1.062","","","","has coordinates,has disorder","303617","2025-11-29","18:22:20",""
"1575793","9.338","0.002","11.05","0.003","17.24","0.004","101.809","0.002","99.237","0.002","98.528","0.002","1688.2","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 F12 Mn O10 Rh -","- C25 H23 F12 Mn O10 Rh -","- C50 H46 F24 Mn2 O20 Rh2 -","2","1","","Zulqarnain, Muhammad; Wei, Zheng; Hollo, Marcell; Dunn, Kathleen A.; Dikarev, Evgeny V.","Molecular precursor synthesis of the Rh<sub>2</sub>O<sub>3</sub>/Fe<sub>2</sub>O<sub>3</sub> spherical architecture for enhanced acidic HER activity and durability.","Chemical science","2025","16","40","18695","18704","10.1039/d5sc04912a","","","0.71073","MoKα","","0.0999","0.0715","","","0.1334","0.1464","","","","","","1.186","","","","has coordinates","303652","2025-11-29","18:35:04",""
"1575794","9.3721","0.0008","10.8813","0.0009","17.0276","0.0015","101.894","0.002","101.188","0.002","98.108","0.002","1637","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 Co F12 O10 Rh -","- C25 H23 Co F12 O10 Rh -","- C50 H46 Co2 F24 O20 Rh2 -","2","1","","Zulqarnain, Muhammad; Wei, Zheng; Hollo, Marcell; Dunn, Kathleen A.; Dikarev, Evgeny V.","Molecular precursor synthesis of the Rh<sub>2</sub>O<sub>3</sub>/Fe<sub>2</sub>O<sub>3</sub> spherical architecture for enhanced acidic HER activity and durability.","Chemical science","2025","16","40","18695","18704","10.1039/d5sc04912a","","","0.71073","MoKα","","0.0703","0.0464","","","0.078","0.086","","","","","","1.062","","","","has coordinates,has disorder","303652","2025-11-29","18:35:04",""
"1575795","9.3525","0.0007","10.8615","0.0008","17.1401","0.0014","101.427","0.003","100.816","0.002","98.018","0.002","1647.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 F12 Fe O10 Rh -","- C25 H23 F12 Fe O10 Rh -","- C50 H46 F24 Fe2 O20 Rh2 -","2","1","","Zulqarnain, Muhammad; Wei, Zheng; Hollo, Marcell; Dunn, Kathleen A.; Dikarev, Evgeny V.","Molecular precursor synthesis of the Rh<sub>2</sub>O<sub>3</sub>/Fe<sub>2</sub>O<sub>3</sub> spherical architecture for enhanced acidic HER activity and durability.","Chemical science","2025","16","40","18695","18704","10.1039/d5sc04912a","","","0.71073","MoKα","","0.0792","0.0508","","","0.0803","0.089","","","","","","1.049","","","","has coordinates,has disorder","303652","2025-11-29","18:35:04",""
"1575796","13.652","0.0003","7.41605","0.00015","16.2743","0.0004","90","","98.865","0.002","90","","1627.99","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 O6 Rh -","- C15 H21 O6 Rh -","- C60 H84 O24 Rh4 -","4","1","","Zulqarnain, Muhammad; Wei, Zheng; Hollo, Marcell; Dunn, Kathleen A.; Dikarev, Evgeny V.","Molecular precursor synthesis of the Rh<sub>2</sub>O<sub>3</sub>/Fe<sub>2</sub>O<sub>3</sub> spherical architecture for enhanced acidic HER activity and durability.","Chemical science","2025","16","40","18695","18704","10.1039/d5sc04912a","","x-ray","0.71073","MoKα","","0.0258","0.0214","","","0.0502","0.0523","","","","","","1.051","","","","has coordinates,has disorder","303652","2025-11-29","18:35:04",""
"1575818","6.7802","0.0001","9.4831","0.0001","22.5161","0.0003","90","","90.741","0.001","90","","1447.6","0.03","123.15","","123.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C64 H92 N4 O8 -","4","1","","Kawanaka, Kazuki; Narita, Shusuke; Kiyokawa, Kensuke; Minakata, Satoshi","Versatile method for the synthesis of aminobenziodoxolones and its application to one-pot coupling of arylboronic acids with simple amines.","Chemical science","2025","16","41","19389","19396","10.1039/d5sc06301a","","x-ray","1.54184","CuKα","","0.043","0.0397","","","0.1116","0.1147","","","","","","1.072","","","","has coordinates","303609","2025-11-29","18:18:40",""
"1575819","11.684","0.005","11.772","0.006","15.675","0.007","79.612","0.016","88.653","0.014","72.481","0.017","2021.2","1.6","193","2","193.15","","","","","","","","","7","P -1","-P 1","2","","","","- C74 H98 Dy2 N4 O18 P4 S4 -","- C74 H98 Dy2 N4 O18 P4 S4 -","- C74 H98 Dy2 N4 O18 P4 S4 -","1","0.5","","Qin, Ye-Hui; Ma, Xiu-Fang; Hou, Xinlan; Huang, Xin-Da; Bao, Song-Song; Tian, Yuxi; Zhang, Yi-Quan; Zheng, Li-Min","Photoresponsive luminescent single-molecule magnets based on dysprosium-anthracene complexes: regulating the de-dimerization temperature of the photocycloaddition product by co-ligand.","Chemical science","2025","16","42","19806","19819","10.1039/d5sc04192a","","","0.71073","MoKα","","0.0913","0.0748","","","0.196","0.22","","","","","","1.037","","","","has coordinates","303629","2025-11-29","18:26:44",""
"1575820","11.51","0.003","12.095","0.004","15.978","0.008","75.029","0.011","77.563","0.011","74.378","0.009","2043.9","1.3","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H94 Dy2 N4 O18 P4 S4 -","- C72 H94 Dy2 N4 O18 P4 S4 -","- C72 H94 Dy2 N4 O18 P4 S4 -","1","0.5","","Qin, Ye-Hui; Ma, Xiu-Fang; Hou, Xinlan; Huang, Xin-Da; Bao, Song-Song; Tian, Yuxi; Zhang, Yi-Quan; Zheng, Li-Min","Photoresponsive luminescent single-molecule magnets based on dysprosium-anthracene complexes: regulating the de-dimerization temperature of the photocycloaddition product by co-ligand.","Chemical science","2025","16","42","19806","19819","10.1039/d5sc04192a","","","0.71073","MoKα","","0.0457","0.0408","","","0.1049","0.1094","","","","","","1.032","","","","has coordinates,has disorder","303629","2025-11-29","18:26:44",""
"1575821","11.7534","0.0006","11.9133","0.0006","15.7506","0.0008","77.928","0.001","87.062","0.001","73.664","0.001","2069.52","0.18","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H49 Dy N2 O9 P2 S2 -","- C37 H49 Dy N2 O9 P2 S2 -","- C74 H98 Dy2 N4 O18 P4 S4 -","2","1","","Qin, Ye-Hui; Ma, Xiu-Fang; Hou, Xinlan; Huang, Xin-Da; Bao, Song-Song; Tian, Yuxi; Zhang, Yi-Quan; Zheng, Li-Min","Photoresponsive luminescent single-molecule magnets based on dysprosium-anthracene complexes: regulating the de-dimerization temperature of the photocycloaddition product by co-ligand.","Chemical science","2025","16","42","19806","19819","10.1039/d5sc04192a","","","0.71073","MoKα","","0.0519","0.044","","","0.1177","0.1277","","","","","","1.043","","","","has coordinates","303629","2025-11-29","18:26:44",""
"1575822","11.5836","0.0007","12.16","0.0006","15.5974","0.0007","76.572","0.002","78.797","0.002","72.22","0.002","2016.73","0.18","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H94 Dy2 N4 O18 P4 S4 -","- C72 H94 Dy2 N4 O18 P4 S4 -","- C72 H94 Dy2 N4 O18 P4 S4 -","1","0.5","","Qin, Ye-Hui; Ma, Xiu-Fang; Hou, Xinlan; Huang, Xin-Da; Bao, Song-Song; Tian, Yuxi; Zhang, Yi-Quan; Zheng, Li-Min","Photoresponsive luminescent single-molecule magnets based on dysprosium-anthracene complexes: regulating the de-dimerization temperature of the photocycloaddition product by co-ligand.","Chemical science","2025","16","42","19806","19819","10.1039/d5sc04192a","","","0.71073","MoKα","","0.0552","0.0423","","","0.0841","0.0916","","","","","","1.078","","","","has coordinates,has disorder","303629","2025-11-29","18:26:44",""
"1575823","10.3899","0.0006","27.4979","0.0017","15.7602","0.001","90","","90","","90","","4502.7","0.5","213","2","213","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C39 H29 Cl4 Ir N6 S2 -","- C39 H29 Cl4 Ir N6 S2 -","- C156 H116 Cl16 Ir4 N24 S8 -","4","1","","Shum, Justin; Leung, Peter Kam-Keung; Huang, Lili; Lee, Lawrence Cho-Cheung; Yarshova, Maryana; Cheng, Lin; Pan, Yi; Chiang, Michael Wai-Lun; Yiu, Ken Shek-Man; Lau, Kai-Chung; Tang, Ben Zhong; Lo, Kenneth Kam-Wing","Unusual ""mesoionic"" N^S biscyclometallated iridium(iii) polypyridine complexes as photosensitisers for photodynamic therapy and type II immunogenic cell death inducers.","Chemical science","2025","16","44","20931","20941","10.1039/d5sc04772b","","","1.54178","CuKα","","0.0317","0.0301","","","0.0779","0.079","","","","","","1.095","","","","has coordinates,has disorder","303598","2025-11-29","18:14:46",""
"1575824","12.307","0.004","17.002","0.003","18.109","0.004","90","","96.713","0.011","90","","3763.2","1.6","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42.5 H28 Cl3 Ir N6 S2 -","- C42.5 H28 Cl3 Ir N6 S2 -","- C170 H112 Cl12 Ir4 N24 S8 -","4","1","","Shum, Justin; Leung, Peter Kam-Keung; Huang, Lili; Lee, Lawrence Cho-Cheung; Yarshova, Maryana; Cheng, Lin; Pan, Yi; Chiang, Michael Wai-Lun; Yiu, Ken Shek-Man; Lau, Kai-Chung; Tang, Ben Zhong; Lo, Kenneth Kam-Wing","Unusual ""mesoionic"" N^S biscyclometallated iridium(iii) polypyridine complexes as photosensitisers for photodynamic therapy and type II immunogenic cell death inducers.","Chemical science","2025","16","44","20931","20941","10.1039/d5sc04772b","","","0.71073","MoKα","","0.0745","0.0463","","","0.103","0.1187","","","","","","1.023","","","","has coordinates,has disorder","303598","2025-11-29","18:14:46",""
"1575825","13.7189","0.0002","17.4229","0.0003","19.5329","0.0004","90","","110.428","0.001","90","","4375.2","0.14","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H31 Cl2 Ir N6 S4 -","- C50 H31 Cl2 Ir N6 S4 -","- C200 H124 Cl8 Ir4 N24 S16 -","4","1","","Shum, Justin; Leung, Peter Kam-Keung; Huang, Lili; Lee, Lawrence Cho-Cheung; Yarshova, Maryana; Cheng, Lin; Pan, Yi; Chiang, Michael Wai-Lun; Yiu, Ken Shek-Man; Lau, Kai-Chung; Tang, Ben Zhong; Lo, Kenneth Kam-Wing","Unusual ""mesoionic"" N^S biscyclometallated iridium(iii) polypyridine complexes as photosensitisers for photodynamic therapy and type II immunogenic cell death inducers.","Chemical science","2025","16","44","20931","20941","10.1039/d5sc04772b","","","1.54178","CuKα","","0.0523","0.0467","","","0.1172","0.1215","","","","","","1.07","","","","has coordinates","303598","2025-11-29","18:14:46",""
"1575826","10.13513","0.00012","6.32967","0.00009","12.14214","0.00015","90","","105.726","0.0013","90","","749.788","0.017","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H16 O2 -","- C21 H16 O2 -","- C42 H32 O4 -","2","1","","Zhan, Shuming; Wang, Chengyu; Duan, Longhui; Gu, Zhenhua","Chiral benzo[2.2.1] α-hydroxyketones from a dirhodium(ii)/bisphosphine-catalyzed desymmetrization addition reaction.","Chemical science","2025","16","41","19397","19402","10.1039/d5sc03779d","","x-ray","1.54184","CuKα","","0.0318","0.0317","","","0.0864","0.0865","","","","","","1.05","","","","has coordinates","303601","2025-11-29","18:16:01",""
"1575827","8.1974","0.0004","13.1816","0.0005","15.5004","0.0006","90","","90","","90","","1674.89","0.12","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 N3 O -","- C21 H15 N3 O -","- C84 H60 N12 O4 -","4","1","","Zhan, Shuming; Wang, Chengyu; Duan, Longhui; Gu, Zhenhua","Chiral benzo[2.2.1] α-hydroxyketones from a dirhodium(ii)/bisphosphine-catalyzed desymmetrization addition reaction.","Chemical science","2025","16","41","19397","19402","10.1039/d5sc03779d","","x-ray","1.54184","CuKα","","0.0725","0.0686","","","0.1942","0.1998","","","","","","1.052","","","","has coordinates","303601","2025-11-29","18:16:01",""
"1575828","5.5251","0.0001","5.5251","0.0001","5.5251","0.0001","90","","90","","90","","168.663","0.005","296","2","296","2","","","","","","","","4","P -4 3 m","P -4 2 3","215","","","","- Cu4 S2.08 Se1.919 Ti -","- Cu3.998 S2.08 Se1.92 Ti -","- Cu3.998 S2.08 Se1.92 Ti -","1","0.0416667","","Li, Qinzhen; Jiang, Tingting; Yang, Sha; Chai, Jinsong; Yu, Haizhu; Zhu, Manzhou","Construction of a homologous series of metal nanoclusters and implications for structure-activity correlations.","Chemical science","2025","16","42","19669","19676","10.1039/d5sc06282a","","x-ray","0.71073","MoKα","","0.0226","0.0192","","","0.0526","0.0542","","","","1.75","1.75","1.67","","","","has coordinates","303628","2025-11-29","18:26:25",""
"1575829","19.876","0.0002","36.5485","0.0004","33.0304","0.0003","90","","105.179","0.001","90","","23157.4","0.4","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C193.5 H258 Au24 O P2 S14 -","- C193.5 H258 Au24 O P2 S14 -","- C774 H1032 Au96 O4 P8 S56 -","4","1","","Li, Qinzhen; Jiang, Tingting; Yang, Sha; Chai, Jinsong; Yu, Haizhu; Zhu, Manzhou","Construction of a homologous series of metal nanoclusters and implications for structure-activity correlations.","Chemical science","2025","16","42","19669","19676","10.1039/d5sc06282a","","","1.54186","CuKα","","0.0856","0.0746","","","0.1975","0.2024","","","","","","1.067","","","","has coordinates","303628","2025-11-29","18:26:25",""
"1575830","17.6876","0.0005","21.7743","0.0006","30.2373","0.0007","96.568","0.002","92.621","0.002","91.671","0.002","11550","0.5","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C211 H278 Au22 Cd2 Cl2 O P2 S14 -","- C211 H278 Au22 Cd2 Cl2 O P2 S14 -","- C422 H556 Au44 Cd4 Cl4 O2 P4 S28 -","2","1","","Li, Qinzhen; Jiang, Tingting; Yang, Sha; Chai, Jinsong; Yu, Haizhu; Zhu, Manzhou","Construction of a homologous series of metal nanoclusters and implications for structure-activity correlations.","Chemical science","2025","16","42","19669","19676","10.1039/d5sc06282a","","","1.54186","CuKα","","0.0956","0.039","","","0.066","0.0748","","","","","","0.575","","","","has coordinates","303628","2025-11-29","18:26:25",""
"1575831","4.1319","0.0002","15.3888","0.0007","8.5819","0.0004","90","","101.967","0.002","90","","533.82","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 N4 O2 -","- C10 H12 N4 O2 -","- C20 H24 N8 O4 -","2","0.5","","Seyfried, Maximilian D.; Gemen, Julius; Wyszynski, Leonard; Giard, Carl L.; Daniliuc, Constantin G.; Schönhoff, Monika; Doltsinis, Nikos L.; Glorius, Frank; Ravoo, Bart Jan","Azobisheteroarene photoswitches based on isoxazoles and pyrazoles: tunable photostationary states, thermal relaxation and sensitization under confinement.","Chemical science","2025","16","41","19448","19455","10.1039/d5sc04412j","","x-ray","1.54178","CuKα","","0.0342","0.0317","","","0.0865","0.0887","","","","","","1.095","","","","has coordinates","303602","2025-11-29","18:16:20",""
"1575832","20.9217","0.0013","4.4554","0.0002","10.4846","0.0006","90","","90","","90","","977.32","0.09","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H10 N4 O2 -","- C9 H10 N4 O2 -","- C36 H40 N16 O8 -","4","1","","Seyfried, Maximilian D.; Gemen, Julius; Wyszynski, Leonard; Giard, Carl L.; Daniliuc, Constantin G.; Schönhoff, Monika; Doltsinis, Nikos L.; Glorius, Frank; Ravoo, Bart Jan","Azobisheteroarene photoswitches based on isoxazoles and pyrazoles: tunable photostationary states, thermal relaxation and sensitization under confinement.","Chemical science","2025","16","41","19448","19455","10.1039/d5sc04412j","","x-ray","0.71073","MoKα","","0.0332","0.0306","","","0.078","0.0801","","","","","","1.035","","","","has coordinates","303602","2025-11-29","18:16:20",""
"1575833","5.3862","0.0002","6.801","0.0003","24.9772","0.0013","90","","91.998","0.004","90","","914.4","0.07","109.95","0.1","109.95","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 O2 S -","- C10 H12 O2 S -","- C40 H48 O8 S4 -","4","1","","Downes, Thomas D.; Jones, S. Paul; Firth, James D.; Darby, John F.; Gilio, Amelia K.; Klein, Hanna F.; Wang, Xinyu; Blakemore, David C.; De Fusco, Claudia; Roughley, Stephen D.; Vidler, Lewis R.; Whatton, Maria Ann; Woolford, Alison J.-A.; Wrigley, Gail L.; Hubbard, Roderick E.; Wu, Liang; Davies, Gideon J.; O'Brien, Peter","Design, modular synthesis and screening of 58 shape-diverse 3-D fragments.","Chemical science","2025","16","42","20030","20041","10.1039/d5sc05819h","","x-ray","1.54184","CuKα","","0.0361","0.0306","","","0.0731","0.0781","","","","","","1.032","","","","has coordinates,has disorder","303638","2025-11-29","18:30:11",""
"1575834","5.6368","0.0005","11.7599","0.0008","15.6467","0.0012","68.397","0.007","86.839","0.007","87.855","0.006","962.71","0.14","110","0.1","110","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C11 H11 F O3 -","- C11 H11 F O3 -","- C44 H44 F4 O12 -","4","2","","Downes, Thomas D.; Jones, S. Paul; Firth, James D.; Darby, John F.; Gilio, Amelia K.; Klein, Hanna F.; Wang, Xinyu; Blakemore, David C.; De Fusco, Claudia; Roughley, Stephen D.; Vidler, Lewis R.; Whatton, Maria Ann; Woolford, Alison J.-A.; Wrigley, Gail L.; Hubbard, Roderick E.; Wu, Liang; Davies, Gideon J.; O'Brien, Peter","Design, modular synthesis and screening of 58 shape-diverse 3-D fragments.","Chemical science","2025","16","42","20030","20041","10.1039/d5sc05819h","","x-ray","1.54184","CuKα","","0.0517","0.04","","","0.0969","0.1047","","","","","","1.035","","","","has coordinates","303638","2025-11-29","18:30:11",""
"1575835","5.6964","0.0017","8.141","0.003","17.53","0.005","90","","95.008","0.009","90","","809.8","0.4","118.67","","118.67","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N S -","- C20 H19 N S -","- C40 H38 N2 S2 -","2","1","","Head, Joshua F.; Schubert, Tanner J.; Zhao, Biyu; Dong, Yuyang","Cu-catalyzed enantioconvergent deborylative alkynylation.","Chemical science","2025","16","43","20382","20388","10.1039/d5sc04733a","","","0.71073","MoKα","","0.1173","0.0666","","","0.1385","0.1619","","","","","","1.034","","","","has coordinates,has disorder","303612","2025-11-29","18:20:26",""
"1575836","30.1685","0.0017","4.6266","0.0003","16.5136","0.0009","90","","110.08","0.002","90","","2164.8","0.2","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H15 F9 O -","- C25 H15 F9 O -","- C100 H60 F36 O4 -","4","1","","Head, Joshua F.; Schubert, Tanner J.; Zhao, Biyu; Dong, Yuyang","Cu-catalyzed enantioconvergent deborylative alkynylation.","Chemical science","2025","16","43","20382","20388","10.1039/d5sc04733a","","","1.54178","CuKα","","0.0623","0.0615","","","0.1649","0.166","","","","","","1.035","","","","has coordinates,has disorder","303612","2025-11-29","18:20:26",""
"1575837","22.8695","0.0006","9.7003","0.0002","30.5929","0.0009","90","","104.738","0.001","90","","6563.5","0.3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C79 H70 B Cl3 N5 -","- C79 H70 B Cl3 N5 -","- C316 H280 B4 Cl12 N20 -","4","1","","Xu, Shipan; Liu, Wenping; Yan, An; Du, Xuyang; Sun, Yuanhui; Tao, Junfei; Zhou, Guijiang; Chen, Zhao; Yang, Xiaolong","Enhancing the reverse intersystem crossing (RISC) rates and efficiencies of MR-TADF emitters with a U-shaped molecular structure for solution-processed OLEDs.","Chemical science","2025","16","42","19956","19966","10.1039/d5sc04507j","","","0.71073","MoKα","","0.131","0.0875","","","0.2576","0.2927","","","","","","1.096","","","","has coordinates,has disorder","303625","2025-11-29","18:25:40",""
"1575838","16.5112","0.0009","18.8723","0.001","21.3924","0.0011","104.317","0.002","109.622","0.002","92.396","0.002","6026.7","0.6","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C75 H67 B Cl3 N3 -","- C75 H67 B Cl3 N3 -","- C300 H268 B4 Cl12 N12 -","4","2","","Xu, Shipan; Liu, Wenping; Yan, An; Du, Xuyang; Sun, Yuanhui; Tao, Junfei; Zhou, Guijiang; Chen, Zhao; Yang, Xiaolong","Enhancing the reverse intersystem crossing (RISC) rates and efficiencies of MR-TADF emitters with a U-shaped molecular structure for solution-processed OLEDs.","Chemical science","2025","16","42","19956","19966","10.1039/d5sc04507j","","","1.54178","CuKα","","0.0882","0.0678","","","0.1998","0.2206","","","","","","1.081","","","","has coordinates,has disorder","303625","2025-11-29","18:25:40",""
"1575843","9.8643","0.0003","15.3347","0.0003","23.6263","0.0005","90","","90","","90","","3573.86","0.15","193","","193","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C37 H23 Br2 Cl3 N2 O8 -","- C37 H23 Br2 Cl3 N2 O8 -","- C148 H92 Br8 Cl12 N8 O32 -","4","0.5","","Yang, Yang; Bai, Guishun; Qin, Mengmeng; Wang, Juelian; Yang, Yihuan; Wang, Hong; Bonne, Damien; Rodriguez, Jean; Bao, Xiaoze","Atroposelective synthesis of sterically hindered stereochemically complex BINOL derivatives <i>via</i> central-to-axial chirality induction.","Chemical science","2025","16","41","19342","19349","10.1039/d5sc05212b","","x-ray","1.34139","GaKα","","0.052","0.0388","","","0.0839","0.0903","","","","","","1.036","","","","has coordinates,has disorder","303604","2025-11-29","18:16:43",""
"1575844","10.9974","0.0006","14.065","0.0008","18.8512","0.0011","90","","90","","90","","2915.9","0.3","193","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H22 N2 O8 -","- C36 H22 N2 O8 -","- C144 H88 N8 O32 -","4","1","","Yang, Yang; Bai, Guishun; Qin, Mengmeng; Wang, Juelian; Yang, Yihuan; Wang, Hong; Bonne, Damien; Rodriguez, Jean; Bao, Xiaoze","Atroposelective synthesis of sterically hindered stereochemically complex BINOL derivatives <i>via</i> central-to-axial chirality induction.","Chemical science","2025","16","41","19342","19349","10.1039/d5sc05212b","","x-ray","1.34139","GaKα","","0.0403","0.0338","","","0.0804","0.084","","","","","","1.071","","","","has coordinates","303604","2025-11-29","18:16:43",""
"1575845","9.8612","0.0009","34.138","0.003","9.8708","0.0009","90","","117.418","0.003","90","","2949.7","0.5","150.15","","150.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C73 H43 Cl3 N2 O12 -","- C73 H43 Cl3 N2 O12 -","- C146 H86 Cl6 N4 O24 -","2","1","","Yang, Yang; Bai, Guishun; Qin, Mengmeng; Wang, Juelian; Yang, Yihuan; Wang, Hong; Bonne, Damien; Rodriguez, Jean; Bao, Xiaoze","Atroposelective synthesis of sterically hindered stereochemically complex BINOL derivatives <i>via</i> central-to-axial chirality induction.","Chemical science","2025","16","41","19342","19349","10.1039/d5sc05212b","","","1.54178","CuKα","","0.0815","0.0721","","","0.2054","0.2149","","","","","","1.073","","","","has coordinates","303604","2025-11-29","18:16:43",""
"1575846","10.0767","0.0002","14.0462","0.0003","18.0179","0.0004","90","","90","","90","","2550.24","0.09","193","","193","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H22 O4 -","- C36 H22 O4 -","- C144 H88 O16 -","4","1","","Yang, Yang; Bai, Guishun; Qin, Mengmeng; Wang, Juelian; Yang, Yihuan; Wang, Hong; Bonne, Damien; Rodriguez, Jean; Bao, Xiaoze","Atroposelective synthesis of sterically hindered stereochemically complex BINOL derivatives <i>via</i> central-to-axial chirality induction.","Chemical science","2025","16","41","19342","19349","10.1039/d5sc05212b","","x-ray","1.54178","CuKα","","0.0385","0.0318","","","0.0828","0.0874","","","","","","1.05","","","","has coordinates","303604","2025-11-29","18:16:43",""
"1575851","32.56","0.005","6.5554","0.0006","25.584","0.005","90","","90","","90","","5460.7","1.4","100","","100","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C36 H18 F2 S3 -","- C36 H18 F2 S3 -","- C288 H144 F16 S24 -","8","0.5","","Fu, Wei; Simon, Martin; Golz, Christopher; Alcarazo, Manuel","Enantioselective synthesis and racemization dynamics of trithia[5]helicenes derived from the dithieno[2,3-<i>b</i>:3',2'-<i>d</i>]-thiophene unit.","Chemical science","2025","16","41","19172","19177","10.1039/d5sc06132f","","","0.71073","MoKα","","0.022","0.0214","","","0.0561","0.0567","","","","","","1.096","","","","has coordinates,has disorder","303606","2025-11-29","18:17:21",""
"1575852","6.1063","0.001","17.36","0.003","24.441","0.004","90","","90.808","0.004","90","","2590.6","0.7","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H18 F2 S3 -","- C36 H18 F2 S3 -","- C144 H72 F8 S12 -","4","1","","Fu, Wei; Simon, Martin; Golz, Christopher; Alcarazo, Manuel","Enantioselective synthesis and racemization dynamics of trithia[5]helicenes derived from the dithieno[2,3-<i>b</i>:3',2'-<i>d</i>]-thiophene unit.","Chemical science","2025","16","41","19172","19177","10.1039/d5sc06132f","","x-ray","0.71073","MoKα","","0.0464","0.0379","","","0.0916","0.0979","","","","","","1.06","","","","has coordinates","303606","2025-11-29","18:17:21",""
"1575853","16.6491","0.0005","7.9062","0.0002","24.9766","0.0008","90","","97.027","0.002","90","","3263","0.17","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C77 H38 Cl2 F12 S6 -","- C76.999 H37.998 Cl1.998 F12 S6 -","- C153.998 H75.996 Cl3.996 F24 S12 -","2","1","","Fu, Wei; Simon, Martin; Golz, Christopher; Alcarazo, Manuel","Enantioselective synthesis and racemization dynamics of trithia[5]helicenes derived from the dithieno[2,3-<i>b</i>:3',2'-<i>d</i>]-thiophene unit.","Chemical science","2025","16","41","19172","19177","10.1039/d5sc06132f","","x-ray","1.54178","CuKα","","0.041","0.0384","","","0.0994","0.1022","","","","","","1.032","","","","has coordinates,has disorder","303606","2025-11-29","18:17:21",""
"1575854","16.2789","0.0018","15.3827","0.0016","11.4782","0.0011","90","","101.692","0.004","90","","2814.7","0.5","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H24 O2 S3 -","- C38 H24 O2 S3 -","- C152 H96 O8 S12 -","4","0.5","","Fu, Wei; Simon, Martin; Golz, Christopher; Alcarazo, Manuel","Enantioselective synthesis and racemization dynamics of trithia[5]helicenes derived from the dithieno[2,3-<i>b</i>:3',2'-<i>d</i>]-thiophene unit.","Chemical science","2025","16","41","19172","19177","10.1039/d5sc06132f","","x-ray","0.71073","MoKα","","0.0378","0.0332","","","0.0836","0.0873","","","","","","1.045","","","","has coordinates","303606","2025-11-29","18:17:21",""
"1575855","8.9156","0.0004","25.971","0.0014","13.2783","0.0007","90","","100.978","0.001","90","","3018.3","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H22 Br2 O2 S3 -","- C38 H22.54 Br2.0391 O2 S3 -","- C152 H90.16 Br8.1564 O8 S12 -","4","1","","Fu, Wei; Simon, Martin; Golz, Christopher; Alcarazo, Manuel","Enantioselective synthesis and racemization dynamics of trithia[5]helicenes derived from the dithieno[2,3-<i>b</i>:3',2'-<i>d</i>]-thiophene unit.","Chemical science","2025","16","41","19172","19177","10.1039/d5sc06132f","","x-ray","0.71073","MoKα","","0.035","0.0293","","","0.0735","0.0762","","","","","","1.027","","","","has coordinates,has disorder","303606","2025-11-29","18:17:21",""
"1575856","11.8299","0.0007","12.3531","0.001","13.52","0.0011","101.759","0.002","107.913","0.002","105.919","0.002","1715.9","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H28 Br2.03 O2 S3 -","- C44 H28 Br2.0244 O2 S3 -","- C88 H56 Br4.0488 O4 S6 -","2","1","","Fu, Wei; Simon, Martin; Golz, Christopher; Alcarazo, Manuel","Enantioselective synthesis and racemization dynamics of trithia[5]helicenes derived from the dithieno[2,3-<i>b</i>:3',2'-<i>d</i>]-thiophene unit.","Chemical science","2025","16","41","19172","19177","10.1039/d5sc06132f","","x-ray","0.71073","MoKα","","0.0346","0.0287","","","0.0718","0.0753","","","","","","1.025","","","","has coordinates,has disorder","303606","2025-11-29","18:17:21",""
"1575857","13.2828","0.0015","14.2038","0.0009","18.067","0.002","67.511","0.002","73.705","0.002","86.208","0.003","3019.6","0.5","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H18 F6 S3 -","- C38 H18 F6 S3 -","- C152 H72 F24 S12 -","4","2","","Fu, Wei; Simon, Martin; Golz, Christopher; Alcarazo, Manuel","Enantioselective synthesis and racemization dynamics of trithia[5]helicenes derived from the dithieno[2,3-<i>b</i>:3',2'-<i>d</i>]-thiophene unit.","Chemical science","2025","16","41","19172","19177","10.1039/d5sc06132f","","x-ray","0.71073","MoKα","","0.0435","0.0347","","","0.0886","0.0953","","","","","","1.033","","","","has coordinates,has disorder","303606","2025-11-29","18:17:21",""
"1575858","13.864","0.0018","21.852","0.002","24.844","0.003","90","","103.597","0.004","90","","7315.7","1.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H26 Cl6 O2 S3 -","- C40 H26 Cl6 O2 S3 -","- C320 H208 Cl48 O16 S24 -","8","2","","Fu, Wei; Simon, Martin; Golz, Christopher; Alcarazo, Manuel","Enantioselective synthesis and racemization dynamics of trithia[5]helicenes derived from the dithieno[2,3-<i>b</i>:3',2'-<i>d</i>]-thiophene unit.","Chemical science","2025","16","41","19172","19177","10.1039/d5sc06132f","","x-ray","0.71073","MoKα","","0.0604","0.0438","","","0.0973","0.1063","","","","","","1.049","","","","has coordinates,has disorder","303606","2025-11-29","18:17:21",""
"1575859","9.7807","0.0002","12.8377","0.0002","20.0417","0.0004","90","","90","","90","","2516.47","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H23 N3 O2 -","- C32 H23 N3 O2 -","- C128 H92 N12 O8 -","4","1","","He, Jun; Yang, Zun; Lin, Lili; Feng, Xiaoming","Enantioselective synthesis of C-C and C-N axially chiral pyrazole-based heterobiaryls.","Chemical science","2025","16","42","20021","20029","10.1039/d5sc06841j","","","1.54178","CuKα","","0.0361","0.0337","","","0.0835","0.0855","","","","","","1.035","","","","has coordinates","303636","2025-11-29","18:29:42",""
"1575860","11.3478","0.0002","11.1173","0.0002","14.7905","0.0003","90","","100.988","0.001","90","","1831.72","0.06","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 O3 S -","- C22 H16 N2 O3 S -","- C88 H64 N8 O12 S4 -","4","1","","He, Jun; Yang, Zun; Lin, Lili; Feng, Xiaoming","Enantioselective synthesis of C-C and C-N axially chiral pyrazole-based heterobiaryls.","Chemical science","2025","16","42","20021","20029","10.1039/d5sc06841j","","","0.71073","MoKα","","0.0466","0.037","","","0.0887","0.0958","","","","","","1.039","","","","has coordinates","303636","2025-11-29","18:29:42",""
"1575861","10.3004","0.0006","12.8214","0.0007","20.1111","0.0011","90","","90","","90","","2656","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H24 N4 O3 -","- C32 H24 N4 O3 -","- C128 H96 N16 O12 -","4","1","","He, Jun; Yang, Zun; Lin, Lili; Feng, Xiaoming","Enantioselective synthesis of C-C and C-N axially chiral pyrazole-based heterobiaryls.","Chemical science","2025","16","42","20021","20029","10.1039/d5sc06841j","","","1.54178","CuKα","","0.028","0.0272","","","0.0667","0.0674","","","","","","1.056","","","","has coordinates","303636","2025-11-29","18:29:42",""
"1575862","9.4969","0.0002","11.5694","0.0003","12.2031","0.0003","93.947","0.001","96.958","0.001","96.723","0.001","1317.08","0.05","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C64 H52 N8 O6 -","- C64 H52 N8 O6 -","- C64 H52 N8 O6 -","1","1","","He, Jun; Yang, Zun; Lin, Lili; Feng, Xiaoming","Enantioselective synthesis of C-C and C-N axially chiral pyrazole-based heterobiaryls.","Chemical science","2025","16","42","20021","20029","10.1039/d5sc06841j","","","1.54178","CuKα","","0.0291","0.0281","","","0.0707","0.0717","","","","","","1.03","","","","has coordinates,has disorder","303636","2025-11-29","18:29:42",""
"1575863","16.7306","0.0002","8.779","0.0001","24.8572","0.0003","90","","109.06","0.001","90","","3450.82","0.07","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H32 Cl2 N4 O4 -","- C42 H32 Cl2 N4 O4 -","- C168 H128 Cl8 N16 O16 -","4","1","","Lin, Yun-Hsien; Wang, Xiqu; Szczepanik, Dariusz W.; Wieczorkiewicz, Paweł A; Miljanić, Ognjen Š","Inverted azolophanes: alternant <i>o</i>-heteroarene/<i>p</i>-arene macrocycles.","Chemical science","2025","16","42","19967","19972","10.1039/d5sc05981j","","","1.54178","CuKα","","0.0429","0.0399","","","0.1171","0.1197","","","","","","1.08","","","","has coordinates,has disorder","303634","2025-11-29","18:28:37",""
"1575864","10.4421","0.0003","15.656","0.0004","21.4219","0.0005","74.348","0.002","75.957","0.002","78.119","0.002","3234.27","0.15","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H74 F4 N10 O6 -","- C74 H74 F4 N10 O6 -","- C148 H148 F8 N20 O12 -","2","1","","Lin, Yun-Hsien; Wang, Xiqu; Szczepanik, Dariusz W.; Wieczorkiewicz, Paweł A; Miljanić, Ognjen Š","Inverted azolophanes: alternant <i>o</i>-heteroarene/<i>p</i>-arene macrocycles.","Chemical science","2025","16","42","19967","19972","10.1039/d5sc05981j","","","1.54178","CuKα","","0.0875","0.0562","","","0.1494","0.1714","","","","","","1.045","","","","has coordinates,has disorder","303634","2025-11-29","18:28:37",""
"1575865","31.9415","0.0008","9.5284","0.0003","32.2718","0.0009","90","","117.757","0.002","90","","8691.8","0.5","100","2","100","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C79 H79.8 N11 O9 -","- C79 H79.798 N11 O9 -","- C316 H319.192 N44 O36 -","4","1","","Lin, Yun-Hsien; Wang, Xiqu; Szczepanik, Dariusz W.; Wieczorkiewicz, Paweł A; Miljanić, Ognjen Š","Inverted azolophanes: alternant <i>o</i>-heteroarene/<i>p</i>-arene macrocycles.","Chemical science","2025","16","42","19967","19972","10.1039/d5sc05981j","","","1.54178","CuKα","","0.1737","0.0899","","","0.193","0.229","","","","","","1.129","","","","has coordinates,has disorder","303634","2025-11-29","18:28:37",""
"1575866","15.6863","0.0004","19.4786","0.0005","21.1524","0.0004","62.946","0.001","78.805","0.002","86.651","0.002","5643","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C97.5 H67 N8 O2.75 -","- C97.5128 H67.0256 N8 O2.7564 -","- C195.026 H134.051 N16 O5.5128 -","2","1","","Lin, Yun-Hsien; Wang, Xiqu; Szczepanik, Dariusz W.; Wieczorkiewicz, Paweł A; Miljanić, Ognjen Š","Inverted azolophanes: alternant <i>o</i>-heteroarene/<i>p</i>-arene macrocycles.","Chemical science","2025","16","42","19967","19972","10.1039/d5sc05981j","","","1.54178","CuKα","","0.0851","0.0711","","","0.2284","0.2452","","","","","","1.063","","","","has coordinates,has disorder","303634","2025-11-29","18:28:37",""
"1575867","14.7923","0.0004","22.1907","0.0006","20.6091","0.0005","90","","95.371","0.002","90","","6735.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C69 H68 N8 O9 -","- C69 H68 N8 O9 -","- C276 H272 N32 O36 -","4","1","","Lin, Yun-Hsien; Wang, Xiqu; Szczepanik, Dariusz W.; Wieczorkiewicz, Paweł A; Miljanić, Ognjen Š","Inverted azolophanes: alternant <i>o</i>-heteroarene/<i>p</i>-arene macrocycles.","Chemical science","2025","16","42","19967","19972","10.1039/d5sc05981j","","","1.54178","CuKα","","0.0595","0.0539","","","0.1507","0.1566","","","","","","1.041","","","","has coordinates","303634","2025-11-29","18:28:37",""
"1575868","10.5545","0.0005","13.9466","0.0008","14.0437","0.0008","61.106","0.006","83.437","0.004","84.556","0.004","1796.2","0.2","169.98","0.1","169.98","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C44 H24 N12 O2 -","- C44 H24 N12 O2 -","- C88 H48 N24 O4 -","2","1","","Zheng, Canze; Zhu, Liwei; Zhang, Jianyu; Deng, Xin; Zhong, Zhengyao; He, Xiang; Zhang, Qiaoyun; Liu, Junkai; Meng, Miao; Lam, Jacky W. Y.; Li, Ying; Chen, Ming; Tang, Ben Zhong","An acceptor motor-driven electronic donor-acceptor supramolecular scaffold towards imaging-guided tumor therapy.","Chemical science","2025","16","42","20048","20060","10.1039/d5sc05770a","","x-ray","1.54184","CuKα","","0.0621","0.054","","","0.1442","0.1578","","","","","","1.046","","","","has coordinates","303631","2025-11-29","18:27:22",""
"1575869","7.2462","0.0003","10.5982","0.0005","21.3799","0.001","91.983","0.004","91.45","0.004","92.672","0.004","1638.54","0.13","169.99","0.1","169.99","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C38 H12 N12 -","- C38 H12 N12 -","- C76 H24 N24 -","2","1","","Zheng, Canze; Zhu, Liwei; Zhang, Jianyu; Deng, Xin; Zhong, Zhengyao; He, Xiang; Zhang, Qiaoyun; Liu, Junkai; Meng, Miao; Lam, Jacky W. Y.; Li, Ying; Chen, Ming; Tang, Ben Zhong","An acceptor motor-driven electronic donor-acceptor supramolecular scaffold towards imaging-guided tumor therapy.","Chemical science","2025","16","42","20048","20060","10.1039/d5sc05770a","","x-ray","1.54184","CuKα","","0.0727","0.0592","","","0.1735","0.1842","","","","","","1.076","","","","has coordinates,has disorder","303631","2025-11-29","18:27:22",""
"1575870","10.3821","0.0002","27.7393","0.0005","11.5669","0.0002","90","","102.05","0.001","90","","3257.78","0.1","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H33 N9 O6 -","- C36 H33 N9 O6 -","- C144 H132 N36 O24 -","4","1","","Izquierdo, Ignacio; Martínez-Castro, Laura; Ujaque, Gregori; Martínez-Martínez, Antonio J","Cooperative reversible assembly in triply interlocked Al<sub>6</sub>L<sub>4</sub> and Ga<sub>6</sub>L<sub>4</sub> cages.","Chemical science","2025","16","43","20406","20413","10.1039/d5sc05441a","","","0.71073","MoKα","","0.0654","0.0593","","","0.1491","0.1533","","","","","","1.127","","","","has coordinates","303623","2025-11-29","18:24:50",""
"1575871","21.3348","0.0004","21.5438","0.0004","21.7803","0.0004","78.682","0.001","78.712","0.001","81.95","0.001","9572.5","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C144.75 H155.1 Ga6 K9 N36 O58.05 -","- C144.75 H151 Ga6 K9.0004 N36 O56 -","- C289.5 H302 Ga12 K18.0008 N72 O112 -","2","1","","Izquierdo, Ignacio; Martínez-Castro, Laura; Ujaque, Gregori; Martínez-Martínez, Antonio J","Cooperative reversible assembly in triply interlocked Al<sub>6</sub>L<sub>4</sub> and Ga<sub>6</sub>L<sub>4</sub> cages.","Chemical science","2025","16","43","20406","20413","10.1039/d5sc05441a","","x-ray","0.71073","MoKα","","0.056","0.0489","","","0.147","0.1536","","","","","","1.04","","","","has coordinates,has disorder","303623","2025-11-29","18:24:50",""
"1575872","10.7223","0.0001","13.6952","0.0002","27.6926","0.0003","90","","90","","90","","4066.49","0.08","99.99","0.1","99.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 N2 O -","- C24 H32 N2 O -","- C192 H256 N16 O8 -","8","2","","Guan, Chun-Yan; Lu, Tao; Li, Ya; Liu, Chao-Hua; Xiao, Xiao; Mei, Guang-Jian","Catalytic enantioselective construction of two N-stereogenic centers of <i>ethano</i>- and <i>propano</i>-Tröger's bases.","Chemical science","2025","16","42","19683","19693","10.1039/d5sc05846e","","x-ray","1.54178","CuKα","","0.0418","0.0363","","","0.0935","0.0963","","","","","","1.058","","","","has coordinates","303637","2025-11-29","18:29:56",""
"1575873","22.9846","0.0004","6.2591","0.0001","11.5085","0.0002","90","","104.643","0.001","90","","1601.87","0.05","100","0.1","100","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H22 N2 -","- C20 H22 N2 -","- C80 H88 N8 -","4","1","","Guan, Chun-Yan; Lu, Tao; Li, Ya; Liu, Chao-Hua; Xiao, Xiao; Mei, Guang-Jian","Catalytic enantioselective construction of two N-stereogenic centers of <i>ethano</i>- and <i>propano</i>-Tröger's bases.","Chemical science","2025","16","42","19683","19693","10.1039/d5sc05846e","","x-ray","1.54178","CuKα","","0.0375","0.0359","","","0.0925","0.094","","","","","","1.051","","","","has coordinates","303637","2025-11-29","18:29:56",""
"1575874","7.8403","0.0011","10.3493","0.0013","11.6156","0.0016","96.969","0.004","99.16","0.004","106.54","0.004","878","0.2","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C40 H50 N2 O4 -","2","1","","Paul, Hrishikesh; Chakraborty, Arijit; Mandal, Animesh; Das, Dibyangshu; Mahapatra, Sanat Kumar; Roy, Lisa; Chatterjee, Indranil","Electron donor-acceptor complex offers a diverse approach for carbonyl alkylative amination.","Chemical science","2025","16","42","20061","20072","10.1039/d5sc04087f","","x-ray","0.71073","MoKα","","0.0604","0.055","","","0.1389","0.1427","","","","","","1.094","","","","has coordinates","303627","2025-11-29","18:26:01",""
"1575876","13.0013","0.0004","13.0013","0.0004","9.349","0.0004","90","","90","","120","","1368.58","0.08","100","2","100","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- C3 H1.5 N1.5 O4.5 -","- C3 H1.5 N1.5 O4.5 -","- C36 H18 N18 O54 -","12","1","","Karak, Shayan; Khata, Soubhik; Ahmad, Shamim; Yadav, Abhishek Kumar; AlMasoud, Najla; Alomar, Taghrid S.; Dharavath, Srinivas; Reddy, C. Malla; Banerjee, Rahul","Tunable mechanics and energetics in structurally diverse TNPG-based metal organic networks.","Chemical science","2025","16","45","21508","21517","10.1039/d5sc04870b","","","0.71073","MoKα","","0.0391","0.0369","","","0.0863","0.0879","","","","","","1.09","","","","has coordinates","303666","2025-11-29","18:42:44",""
"1575877","9.7828","0.0015","9.7828","0.0015","11.823","0.002","90","","90","","120","","979.9","0.3","263","","263","","","","","","","","","5","P 31","P 31","144","","K-TNPG","","- C6 H0.33 K3 N3 O11 -","- C6 H4 K3 N3 O11 -","- C18 H12 K9 N9 O33 -","3","1","","Karak, Shayan; Khata, Soubhik; Ahmad, Shamim; Yadav, Abhishek Kumar; AlMasoud, Najla; Alomar, Taghrid S.; Dharavath, Srinivas; Reddy, C. Malla; Banerjee, Rahul","Tunable mechanics and energetics in structurally diverse TNPG-based metal organic networks.","Chemical science","2025","16","45","21508","21517","10.1039/d5sc04870b","","","0.71073","MoKα","","0.062","0.0541","","","0.1259","0.1326","","","","","","1.025","","","","has coordinates","303666","2025-11-29","18:42:44",""
"1575878","3.3844","0.0003","13.7682","0.0015","22.793","0.003","85.45","0.003","85.74","","82.94","","1048.5","0.2","304","2","304","","","","","","","","","5","P -1","-P 1","2","","Li-TNPG","","- C12 H6.8 Li6 N6 O21.4 -","- C12 Li6 N6 O18 -","- C24 Li12 N12 O36 -","2","1","","Karak, Shayan; Khata, Soubhik; Ahmad, Shamim; Yadav, Abhishek Kumar; AlMasoud, Najla; Alomar, Taghrid S.; Dharavath, Srinivas; Reddy, C. Malla; Banerjee, Rahul","Tunable mechanics and energetics in structurally diverse TNPG-based metal organic networks.","Chemical science","2025","16","45","21508","21517","10.1039/d5sc04870b","","","0.71073","MoKα","","0.1033","0.0667","","","0.1825","0.218","","","","","","1.13","","","","has coordinates","303666","2025-11-29","18:42:44",""
"1575879","12.1937","0.0002","12.6249","0.0002","6.7246","0.0001","90","","94.218","0.002","90","","1032.41","0.03","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Mixed MOF","","- C6 H2 K0.99 Li2 N3 O10 -","- C6 H2 K0.989 Li2 N3 O10 -","- C24 H8 K3.956 Li8 N12 O40 -","4","1","","Karak, Shayan; Khata, Soubhik; Ahmad, Shamim; Yadav, Abhishek Kumar; AlMasoud, Najla; Alomar, Taghrid S.; Dharavath, Srinivas; Reddy, C. Malla; Banerjee, Rahul","Tunable mechanics and energetics in structurally diverse TNPG-based metal organic networks.","Chemical science","2025","16","45","21508","21517","10.1039/d5sc04870b","","x-ray","1.54184","CuKα","","0.0446","0.0415","","","0.126","0.1297","","","","","","1.0441","","","","has coordinates","303666","2025-11-29","18:42:44",""
"1575880","13.5292","0.0013","25.354","0.002","3.386","0.0003","90","","90","","90","","1161.46","0.18","100","","100","","","","","","","","","5","P b a 2","P 2 -2ab","32","","Na-TNPG","","- C6 H4 N3 Na3.05 O11 -","- C6 H4 N3 Na3.05 O11 -","- C24 H16 N12 Na12.2 O44 -","4","1","","Karak, Shayan; Khata, Soubhik; Ahmad, Shamim; Yadav, Abhishek Kumar; AlMasoud, Najla; Alomar, Taghrid S.; Dharavath, Srinivas; Reddy, C. Malla; Banerjee, Rahul","Tunable mechanics and energetics in structurally diverse TNPG-based metal organic networks.","Chemical science","2025","16","45","21508","21517","10.1039/d5sc04870b","","","0.71073","MoKα","","0.0626","0.0617","","","0.143","0.1437","","","","","","1.0558","","","","has coordinates","303666","2025-11-29","18:42:44",""
"1575881","10.8371","0.0002","11.6905","0.0002","12.3737","0.0003","105.871","0.002","90.048","0.002","100.228","0.002","1481.9","0.05","120","1","120","1","","","","","","","","3","P 1","P 1","1","","","","- C34 H40 P2 -","- C34 H40 P2 -","- C68 H80 P4 -","2","2","","Senn, Sebastian; Mörsdorf, Jean-Marc; Bertrams, Maria-Sophie; Kerzig, Christoph; Ballmann, Joachim","π-Extended diphosphonium-bridged ladder stilbenes: water-soluble fluorophores with up to eight annulated rings.","Chemical science","2025","16","43","20517","20526","10.1039/d5sc03752b","","x-ray","1.54184","CuKα","","0.0509","0.0478","","","0.1225","0.1266","","","","","","1.025","","","","has coordinates,has disorder","303614","2025-11-29","18:21:27",""
"1575882","10.3156","0.0002","11.7343","0.0002","23.0477","0.0005","85.394","0.002","79.22","0.002","89.6","0.001","2731.66","0.09","120","1","120","1","","","","","","","","4","P -1","-P 1","2","","","","- C40 H52 Cl16 P2 -","- C40 H52 Cl16 P2 -","- C80 H104 Cl32 P4 -","2","1","","Senn, Sebastian; Mörsdorf, Jean-Marc; Bertrams, Maria-Sophie; Kerzig, Christoph; Ballmann, Joachim","π-Extended diphosphonium-bridged ladder stilbenes: water-soluble fluorophores with up to eight annulated rings.","Chemical science","2025","16","43","20517","20526","10.1039/d5sc03752b","","x-ray","1.54184","CuKα","","0.0644","0.0563","","","0.1502","0.1587","","","","","","1.041","","","","has coordinates,has disorder","303614","2025-11-29","18:21:27",""
"1575883","14.6337","0.0002","10.8769","0.0001","14.8298","0.0002","90","","109.952","0.002","90","","2218.77","0.05","120","1","120","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H48 Cl10 P2 -","- C38 H48 Cl10 P2 -","- C76 H96 Cl20 P4 -","2","0.5","","Senn, Sebastian; Mörsdorf, Jean-Marc; Bertrams, Maria-Sophie; Kerzig, Christoph; Ballmann, Joachim","π-Extended diphosphonium-bridged ladder stilbenes: water-soluble fluorophores with up to eight annulated rings.","Chemical science","2025","16","43","20517","20526","10.1039/d5sc03752b","","x-ray","1.54184","CuKα","","0.0504","0.0435","","","0.1121","0.1181","","","","","","1.026","","","","has coordinates","303614","2025-11-29","18:21:27",""
"1575884","10.6719","0.0001","11.9792","0.0001","11.0995","0.0001","90","","104.055","0.001","90","","1376.49","0.02","120","1","120","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 P2 -","- C34 H40 P2 -","- C68 H80 P4 -","2","0.5","","Senn, Sebastian; Mörsdorf, Jean-Marc; Bertrams, Maria-Sophie; Kerzig, Christoph; Ballmann, Joachim","π-Extended diphosphonium-bridged ladder stilbenes: water-soluble fluorophores with up to eight annulated rings.","Chemical science","2025","16","43","20517","20526","10.1039/d5sc03752b","","x-ray","1.54184","CuKα","","0.0415","0.0394","","","0.1068","0.109","","","","","","1.054","","","","has coordinates","303614","2025-11-29","18:21:27",""
"1575885","15.0324","0.0002","10.6843","0.0002","15.1691","0.0003","90","","112.535","0.002","90","","2250.3","0.08","120","1","120","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H48 Cl10 P2 -","- C38 H48 Cl10 P2 -","- C76 H96 Cl20 P4 -","2","0.5","","Senn, Sebastian; Mörsdorf, Jean-Marc; Bertrams, Maria-Sophie; Kerzig, Christoph; Ballmann, Joachim","π-Extended diphosphonium-bridged ladder stilbenes: water-soluble fluorophores with up to eight annulated rings.","Chemical science","2025","16","43","20517","20526","10.1039/d5sc03752b","","x-ray","1.54184","CuKα","","0.05","0.0444","","","0.1168","0.1232","","","","","","1.024","","","","has coordinates","303614","2025-11-29","18:21:27",""
"1575886","7.2439","0.0001","18.9138","0.0002","11.3754","0.0001","90","","104.406","0.001","90","","1509.53","0.03","120","1","120","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 Cl2 P2 -","- C34 H40 Cl2 P2 -","- C68 H80 Cl4 P4 -","2","0.5","","Senn, Sebastian; Mörsdorf, Jean-Marc; Bertrams, Maria-Sophie; Kerzig, Christoph; Ballmann, Joachim","π-Extended diphosphonium-bridged ladder stilbenes: water-soluble fluorophores with up to eight annulated rings.","Chemical science","2025","16","43","20517","20526","10.1039/d5sc03752b","","x-ray","1.54184","CuKα","","0.0344","0.0338","","","0.0903","0.0908","","","","","","1.092","","","","has coordinates","303614","2025-11-29","18:21:27",""
"1575887","11.48118","0.00008","13.3743","0.00009","13.10304","0.00012","90","","102.637","0.0008","90","","1963.27","0.03","120","1","120","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H52 Cl2 O2 P2 -","- C44 H52 Cl2 O2 P2 -","- C88 H104 Cl4 O4 P4 -","2","0.5","","Senn, Sebastian; Mörsdorf, Jean-Marc; Bertrams, Maria-Sophie; Kerzig, Christoph; Ballmann, Joachim","π-Extended diphosphonium-bridged ladder stilbenes: water-soluble fluorophores with up to eight annulated rings.","Chemical science","2025","16","43","20517","20526","10.1039/d5sc03752b","","x-ray","1.54184","CuKα","","0.0534","0.0516","","","0.1355","0.1367","","","","","","1.149","","","","has coordinates,has disorder","303614","2025-11-29","18:21:27",""
"1575888","7.8799","0.0003","10.1289","0.0004","43.307","0.002","90","","91.842","0.005","90","","3454.7","0.2","120","1","120","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H52 Cl2 O4 P2 -","- C33 H52 Cl2 O4 P2 -","- C132 H208 Cl8 O16 P8 -","4","1","","Senn, Sebastian; Mörsdorf, Jean-Marc; Bertrams, Maria-Sophie; Kerzig, Christoph; Ballmann, Joachim","π-Extended diphosphonium-bridged ladder stilbenes: water-soluble fluorophores with up to eight annulated rings.","Chemical science","2025","16","43","20517","20526","10.1039/d5sc03752b","","x-ray","1.54184","CuKα","","0.0986","0.0668","","","0.1501","0.1708","","","","","","1.044","","","","has coordinates,has disorder","303614","2025-11-29","18:21:27",""
"1575889","7.56569","0.00018","21.6248","0.0005","21.1554","0.0005","90","","100.276","0.002","90","","3405.64","0.14","120","1","120","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H50 Cl2 O3 P2 -","- C33 H50 Cl2 O3 P2 -","- C132 H200 Cl8 O12 P8 -","4","1","","Senn, Sebastian; Mörsdorf, Jean-Marc; Bertrams, Maria-Sophie; Kerzig, Christoph; Ballmann, Joachim","π-Extended diphosphonium-bridged ladder stilbenes: water-soluble fluorophores with up to eight annulated rings.","Chemical science","2025","16","43","20517","20526","10.1039/d5sc03752b","","x-ray","1.54184","CuKα","","0.0978","0.0846","","","0.2241","0.2375","","","","","","1.056","","","","has coordinates,has disorder","303614","2025-11-29","18:21:27",""
"1575890","19.8117","0.0002","11.702","0.0001","17.5006","0.0001","90","","115.681","0.001","90","","3656.5","0.06","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H52 Cl2 O3 P2 -","- C37 H52 Cl2 O3 P2 -","- C148 H208 Cl8 O12 P8 -","4","1","","Senn, Sebastian; Mörsdorf, Jean-Marc; Bertrams, Maria-Sophie; Kerzig, Christoph; Ballmann, Joachim","π-Extended diphosphonium-bridged ladder stilbenes: water-soluble fluorophores with up to eight annulated rings.","Chemical science","2025","16","43","20517","20526","10.1039/d5sc03752b","","x-ray","1.54184","CuKα","","0.0367","0.0348","","","0.0962","0.0977","","","","","","1.058","","","","has coordinates","303614","2025-11-29","18:21:27",""
"1575891","10.7496","0.0004","20.9208","0.0008","11.5152","0.0005","90","","94.472","0.001","90","","2581.77","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C128 H104 N8 O16 -","8","2","","Wang, Jin-Ping; Wu, Yichen; Wang, Peng","Modular and diverse synthesis of oxaheterocycles <i>via</i> Pd-catalyzed migratory 1,<i>n</i>-cycloannulation of alkenes.","Chemical science","2025","16","43","20292","20299","10.1039/d5sc06539a","","","0.71073","MoKα","","0.1232","0.0733","","","0.1496","0.1779","","","","","","1.079","","","","has coordinates","303618","2025-11-29","18:22:36",""
"1575892","9.5963","0.0005","9.8669","0.0005","18.7412","0.0009","90","","102.306","0.002","90","","1733.75","0.15","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N O6 -","- C17 H23 N O6 -","- C68 H92 N4 O24 -","4","1","","Zhu, Hong-Yan; Wang, Xiao-Wei; Chen, Xin-Yu; Li, Lan-Yan; Li, Yi-Xin; Yu, Wei Dong; Yan, Jun; Liu, Chao","Dynamic structural engineering of ferrocene-functionalized Ag<sub>20</sub> nanoclusters for enhanced CO<sub>2</sub> electroreduction performance.","Chemical science","2025","16","43","20389","20396","10.1039/d5sc06306j","","","0.71073","MoKα","","0.1051","0.0639","","","0.1448","0.1664","","","","","","1.053","","","","has coordinates","303615","2025-11-29","18:21:50",""
"1575893","8.5255","0.0007","5.8901","0.0005","17.9337","0.0014","90","","102.863","0.003","90","","877.96","0.12","100","0.2","100","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H19 Cl O2 -","- C23 H19 Cl O2 -","- C46 H38 Cl2 O4 -","2","1","","Zong, Yan; Zou, Xiaomei; Zhang, Shaoke; Chen, Gen-Qiang; Zhang, Xumu","Gram-scale synthesis of (+)-elacestrant streamlined by iridium-catalyzed dynamic kinetic asymmetric hydrogenation of α-substituted tetralones.","Chemical science","2025","16","43","20376","20381","10.1039/d5sc05497d","","x-ray","1.34138","GaKα","","0.0324","0.0306","","","0.0777","0.0789","","","","","","1.037","","","","has coordinates","303622","2025-11-29","18:24:34",""
"1575894","8.2953","0.0007","12.2541","0.001","14.4762","0.0012","90","","90","","90","","1471.5","0.2","100","0.2","100","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","1","","Zong, Yan; Zou, Xiaomei; Zhang, Shaoke; Chen, Gen-Qiang; Zhang, Xumu","Gram-scale synthesis of (+)-elacestrant streamlined by iridium-catalyzed dynamic kinetic asymmetric hydrogenation of α-substituted tetralones.","Chemical science","2025","16","43","20376","20381","10.1039/d5sc05497d","","x-ray","1.34138","GaKα","","0.0294","0.0282","","","0.0698","0.0707","","","","","","1.044","","","","has coordinates","303622","2025-11-29","18:24:34",""
"1575895","20.8178","0.0018","22.433","0.002","32.586","0.003","101.552","0.006","96.617","0.005","113.548","0.005","13341","2","213","","213","","","","","","","","","4","P -1","-P 1","2","","DPP-Q-1","","- C248 H232 Cl24 N8 -","- C240 H224 N8 -","- C480 H448 N16 -","2","1","","Qiu, Shuhai; Zhang, Li; Qu, Da-Hui; Wang, Zhaohui","Supercycloalkanes: dihydropyrazine-embedded macrocycles with flexible conformations resembling cycloalkanes","Chemical Science","2025","16","43","20464","20472","10.1039/D5SC06636K","","","1.34139","GaKα","","0.2707","0.1672","","","0.3591","0.4284","","","","","","0.864","","","","has coordinates,has disorder","303619","2025-11-29","18:23:17",""
"1575896","19.0391","0.0008","36.5284","0.0014","38.0565","0.0016","90","","93.829","0.003","90","","26408","1.9","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","DPP-Q-2","","- C220.092 H180.075 N8 -","- C220.092 H180.076 N8 -","- C880.368 H720.304 N32 -","4","1","","Qiu, Shuhai; Zhang, Li; Qu, Da-Hui; Wang, Zhaohui","Supercycloalkanes: dihydropyrazine-embedded macrocycles with flexible conformations resembling cycloalkanes","Chemical Science","2025","16","43","20464","20472","10.1039/D5SC06636K","","","","","","0.169","","","","","","","","","","","","","","","has coordinates,has disorder","303619","2025-11-29","18:23:17",""
"1575897","47.414","0.005","19.421","0.002","46.795","0.006","90","","104.412","0.005","90","","41734","8","223","2","223","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","DPP-Q-C60","","- C480 H224 N8 -","- C480 H224 N8 -","- C1920 H896 N32 -","4","0.5","","Qiu, Shuhai; Zhang, Li; Qu, Da-Hui; Wang, Zhaohui","Supercycloalkanes: dihydropyrazine-embedded macrocycles with flexible conformations resembling cycloalkanes","Chemical Science","2025","16","43","20464","20472","10.1039/D5SC06636K","","x-ray","1.54178","CuKα","","0.2022","0.1694","","","0.3365","0.3548","","","","","","1.02","","","","has coordinates,has disorder","303619","2025-11-29","18:23:17",""
"1575898","31.155","0.003","37.425","0.004","33.005","0.003","90","","90","","90","","38483","7","193","","193","","","","","","","","","3","P n m a","-P 2ac 2n","62","","DPP-P","","- C345 H340 N10 -","- C345 H340 N10 -","- C1380 H1360 N40 -","4","0.5","","Qiu, Shuhai; Zhang, Li; Qu, Da-Hui; Wang, Zhaohui","Supercycloalkanes: dihydropyrazine-embedded macrocycles with flexible conformations resembling cycloalkanes","Chemical Science","2025","16","43","20464","20472","10.1039/D5SC06636K","","x-ray","1.34139","GaKα","","0.2219","0.1275","","","0.2731","0.3138","","","","","","1.08","","","","has coordinates,has disorder","303619","2025-11-29","18:23:17",""
"1575899","23.698","0.005","27.615","0.006","31.597","0.006","90","0.03","94.03","0.03","90","0.03","20627","7","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","DPP-H","","- C362 H338 Cl6 N12 -","- C362 H338 Cl6 N12 -","- C724 H676 Cl12 N24 -","2","0.5","","Qiu, Shuhai; Zhang, Li; Qu, Da-Hui; Wang, Zhaohui","Supercycloalkanes: dihydropyrazine-embedded macrocycles with flexible conformations resembling cycloalkanes","Chemical Science","2025","16","43","20464","20472","10.1039/D5SC06636K","","","1.34139","GaKα","","0.2899","0.166","","","0.3727","0.4246","","","","","","1.273","","","","has coordinates","303619","2025-11-29","18:23:17",""
"1575900","17.6459","0.0006","21.3539","0.0006","17.3232","0.0007","90","","120.68","0.005","90","","5613.9","0.4","99.8","0.9","99.8","0.9","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H82 B N2 O3 Tb -","- C66 H82 B N2 O3 Tb -","- C264 H328 B4 N8 O12 Tb4 -","4","0.5","","Castellanos, Ernesto; Benner, Florian; Deshapriya, Saroshan; Demir, Selvan","Magnetic hysteresis in 1D organometallic lanthanide chain compounds containing 4,4'-bipyridine.","Chemical science","2025","16","40","18616","18631","10.1039/d5sc05460e","","x-ray","0.71073","MoKα","","0.0637","0.0592","","","0.139","0.1412","","","","","","1.185","","","","has coordinates,has disorder","303656","2025-11-29","18:36:35",""
"1575901","17.4145","0.0008","21.4824","0.0005","17.5221","0.0007","90","","119.353","0.006","90","","5713.5","0.5","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H82 B Gd N2 O3 -","- C66 H82 B Gd N2 O3 -","- C264 H328 B4 Gd4 N8 O12 -","4","0.5","","Castellanos, Ernesto; Benner, Florian; Deshapriya, Saroshan; Demir, Selvan","Magnetic hysteresis in 1D organometallic lanthanide chain compounds containing 4,4'-bipyridine.","Chemical science","2025","16","40","18616","18631","10.1039/d5sc05460e","","","0.71073","MoKα","","0.0789","0.0586","","","0.1375","0.1581","","","","","","1.135","","","","has coordinates,has disorder","303656","2025-11-29","18:36:35",""
"1575902","17.6459","0.0006","21.3539","0.0006","17.3232","0.0007","90","","120.68","0.005","90","","5613.9","0.4","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H82 B Dy N2 O3 -","- C66 H82 B Dy N2 O3 -","- C264 H328 B4 Dy4 N8 O12 -","4","0.5","","Castellanos, Ernesto; Benner, Florian; Deshapriya, Saroshan; Demir, Selvan","Magnetic hysteresis in 1D organometallic lanthanide chain compounds containing 4,4'-bipyridine.","Chemical science","2025","16","40","18616","18631","10.1039/d5sc05460e","","x-ray","1.54184","CuKα","","0.0609","0.0534","","","0.1429","0.1483","","","","","","1.064","","","","has coordinates,has disorder","303656","2025-11-29","18:36:35",""
"1575903","9.5963","0.0005","9.8669","0.0005","18.7412","0.0009","90","","102.306","0.002","90","","1733.75","0.15","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N O6 -","- C17 H23 N O6 -","- C68 H92 N4 O24 -","4","1","","Ye, Yu-Meng; Li, Zhi","Construction of α-quinonyl-α-hydroxy/amino acid esters through the redox chain reaction.","Chemical science","2025","16","43","20564","20569","10.1039/d5sc05582b","","","0.71073","MoKα","","0.1051","0.0639","","","0.1448","0.1664","","","","","","1.053","","","","has coordinates","303620","2025-11-29","18:24:06",""
"1575904","13.7943","0.0007","10.0312","0.0005","13.8636","0.0007","90","","107.119","0.002","90","","1833.36","0.16","100","2","100.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C70 H13 N -","- C70 H13 N -","- C140 H26 N2 -","2","1","","Li, Jinrui; Zhuang, Kaipeng; Tao, Yunlong; Zhang, Qingfeng; Li, Hongguang; Hao, Jingcheng","Multilevel chirality transfer and second harmonic generation in mesoscopic double helical supramolecular self-assemblies of fullerene enantiomers.","Chemical science","2025","16","42","19843","19848","10.1039/d5sc05354d","","","1.54178","CuKα","","0.0603","0.0509","","","0.133","0.1357","","","","","","1.064","","","","has coordinates","303626","2025-11-29","18:25:52",""
"1575905","13.787","","10.026","","13.857","","90","","107.1","","90","","1830.76","","100","2","100.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C70 H13 N -","- C70 H13 N -","- C140 H26 N2 -","2","1","","Li, Jinrui; Zhuang, Kaipeng; Tao, Yunlong; Zhang, Qingfeng; Li, Hongguang; Hao, Jingcheng","Multilevel chirality transfer and second harmonic generation in mesoscopic double helical supramolecular self-assemblies of fullerene enantiomers.","Chemical science","2025","16","42","19843","19848","10.1039/d5sc05354d","","","1.54178","CuKα","","0.0822","0.0748","","","0.2134","0.224","","","","","","1.11","","","","has coordinates","303626","2025-11-29","18:25:52",""
"1575906","9.0878","0.0004","14.2865","0.0008","11.2346","0.0006","90","","95.771","0.002","90","","1451.23","0.13","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H30 F N2 O5 P -","- C34 H30 F N2 O5 P -","- C68 H60 F2 N4 O10 P2 -","2","1","","Sun, Yu-Li; Dai, Lei; Zhu, Kun; Huang, Qingqin; Chen, Yushuang; Wu, Zugen; Lu, Yixin","Remote generation of N-N axial chirality through asymmetric hydrophosphinylation/hydroamination of maleimides.","Chemical science","2025","16","42","20042","20047","10.1039/d5sc06360d","","","0.71073","MoKα","","0.0477","0.0395","","","0.088","0.0966","","","","","","1.101","","","","has coordinates","303633","2025-11-29","18:28:18",""
"1575907","6.6376","0.0002","12.587","0.0003","25.9116","0.0007","90","","90","","90","","2164.85","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N3 O6 -","- C23 H25 N3 O6 -","- C92 H100 N12 O24 -","4","1","","Sun, Yu-Li; Dai, Lei; Zhu, Kun; Huang, Qingqin; Chen, Yushuang; Wu, Zugen; Lu, Yixin","Remote generation of N-N axial chirality through asymmetric hydrophosphinylation/hydroamination of maleimides.","Chemical science","2025","16","42","20042","20047","10.1039/d5sc06360d","","","1.54178","CuKα","","0.0239","0.0238","","","0.0604","0.0604","","","","","","1.07","","","","has coordinates,has disorder","303633","2025-11-29","18:28:18",""
"1575908","18.654","0.003","5.8046","0.0009","31.238","0.006","90","","95.121","0.018","90","","3368.9","1","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C19 H23 B N O2 -","- C19 H23 B N O2 -","- C152 H184 B8 N8 O16 -","8","1","","Zhao, Jinying; Yang, Qihang; Chen, Weibin; Xu, Nuo; Zhang, Qing; Zhao, Wenhao; Luo, Geng-Geng; Cui, Qiuhong; Huang, Jianhua","O-B ← N perturbed polycyclic aromatic hydrocarbons: a straightforward synthesis strategy, and their photophysical and optical waveguide properties.","Chemical science","2025","16","43","20445","20456","10.1039/d5sc05407a","","x-ray","0.71073","MoKα","","0.2477","0.1212","","","0.2403","0.3022","","","","","","1.056","","","","has coordinates","303624","2025-11-29","18:25:19",""
"1575909","14.164","0.0003","17.1362","0.0004","18.8082","0.0004","97.523","0.001","100.344","0.001","113.792","0.001","4002.98","0.16","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C50.5 H43 B2 Cl N2 O4 -","- C50.5 H43 B2 Cl N2 O4 -","- C202 H172 B8 Cl4 N8 O16 -","4","2","","Zhao, Jinying; Yang, Qihang; Chen, Weibin; Xu, Nuo; Zhang, Qing; Zhao, Wenhao; Luo, Geng-Geng; Cui, Qiuhong; Huang, Jianhua","O-B ← N perturbed polycyclic aromatic hydrocarbons: a straightforward synthesis strategy, and their photophysical and optical waveguide properties.","Chemical science","2025","16","43","20445","20456","10.1039/d5sc05407a","","","1.54178","CuKα","","0.0648","0.0549","","","0.1491","0.1585","","","","","","1.033","","","","has coordinates,has disorder","303624","2025-11-29","18:25:19",""
"1575910","18.6896","0.0002","39.6256","0.0004","31.8611","0.0004","90","","93.602","0.001","90","","23549.3","0.5","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C222 H295 F48 N9 O42 P8 -","- C222 H295 F48 N9 O42 P8 -","- C888 H1180 F192 N36 O168 P32 -","4","1","","Yu, Wei; Hu, Ming; Wen, Xin; Xu, Zhi-Rong; Liu, Minghua; Zheng, Yan-Song","CPL on/off switching by enantiomer encapsulation in TPE heterochiral molecular cages.","Chemical science","2025","16","44","20924","20930","10.1039/d5sc05405b","","x-ray","1.54184","CuKα","","0.1222","0.1002","","","0.2864","0.3079","","","","","","1.046","","","","has coordinates,has disorder","303593","2025-11-29","18:12:36",""
"1575911","43.8342","0.0009","23.9492","0.0004","18.8318","0.0002","90","","90","","90","","19769.5","0.6","99.99","0.1","99.99","0.1","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C11 H10 F6 N O P -","- C8.09412 H8.65882 F2.25882 N0.752941 P0.376471 -","- C688 H736 F192 N64 P32 -","85","5.3125","","Yu, Wei; Hu, Ming; Wen, Xin; Xu, Zhi-Rong; Liu, Minghua; Zheng, Yan-Song","CPL on/off switching by enantiomer encapsulation in TPE heterochiral molecular cages.","Chemical science","2025","16","44","20924","20930","10.1039/d5sc05405b","","x-ray","1.54184","CuKα","","0.137","0.1272","","","0.4142","0.4252","","","","","","1.941","","","","has coordinates","303593","2025-11-29","18:12:36",""
"1575912","5.3502","0.0015","17.774","0.005","19.868","0.006","90","","90","","90","","1889.3","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 O S2 -","- C22 H22 O S2 -","- C88 H88 O4 S8 -","4","1","","Chakrabarty, Aditya; Chatterjee, Ritwika; Mukherjee, Santanu","Enantioselective homocoupling of allenylic alcohols through divergent cooperative catalysis.","Chemical science","2025","16","43","20495","20506","10.1039/d5sc02831k","","","0.71073","MoKα","","0.0417","0.032","","","0.0684","0.0721","","","","","","1.068","","","","has coordinates","303616","2025-11-29","18:22:02",""
"1575919","4.66104","0.00005","15.4164","0.0002","12.48705","0.00016","90","","93.9291","0.0011","90","","895.166","0.019","120","0.1","120","0.1","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C16 H14 Br2 Cu F4 O4 -","- C16 H14 Br2 Cu F4 O4 -","- C32 H28 Br4 Cu2 F8 O8 -","2","0.25","","Sasikumar, Anagha; Novotný, Jan; Chyba, Jan; Kobera, Libor; Marek, Radek","Supramolecular covalency of halogen bonds revealed by NMR contact shifts in paramagnetic cocrystals","Chemical Science","2025","16","43","20239","20244","10.1039/D5SC05769H","","","1.54184","CuKα","","0.0217","0.0215","","","0.0569","0.057","","","","","","1.084","","","","has coordinates","303621","2025-11-29","18:24:15",""
"1575920","4.67274","0.00005","17.31552","0.00018","13.70775","0.00015","90","","90.6808","0.0009","90","","1109.03","0.02","120","0.1","120","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 F4 I2 Ni O6 -","- C16 H18 F4 I2 Ni O6 -","- C32 H36 F8 I4 Ni2 O12 -","2","0.5","","Sasikumar, Anagha; Novotný, Jan; Chyba, Jan; Kobera, Libor; Marek, Radek","Supramolecular covalency of halogen bonds revealed by NMR contact shifts in paramagnetic cocrystals","Chemical Science","2025","16","43","20239","20244","10.1039/D5SC05769H","","","1.54184","CuKα","","0.0275","0.027","","","0.0758","0.0761","","","","","","1.084","","","","has coordinates","303621","2025-11-29","18:24:15",""
"1575921","4.73648","0.00019","15.3598","0.0005","12.6168","0.0005","90","","94.786","0.004","90","","914.69","0.06","120.02","0.1","120.02","0.1","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C16 H14 Br2 F4 O4 Pd -","- C16 H14 Br2 F4 O4 Pd -","- C32 H28 Br4 F8 O8 Pd2 -","2","0.25","","Sasikumar, Anagha; Novotný, Jan; Chyba, Jan; Kobera, Libor; Marek, Radek","Supramolecular covalency of halogen bonds revealed by NMR contact shifts in paramagnetic cocrystals","Chemical Science","2025","16","43","20239","20244","10.1039/D5SC05769H","","","1.54184","CuKα","","0.0441","0.044","","","0.131","0.1311","","","","","","1.15","","","","has coordinates","303621","2025-11-29","18:24:15",""
"1575922","27.1369","0.0014","8.345","0.0003","8.1438","0.0003","90","","90","","90","","1844.22","0.13","300.15","","300.15","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C6 H18 Br4 Cl2 N2 Pb -","- C6 H18 Br4 Cl2 N2 Pb -","- C24 H72 Br16 Cl8 N8 Pb4 -","4","0.5","","He, Yueyue; Wu, Shufang; Li, Xiaofei; Wang, Qi; Zhao, Ruifang; Pan, Lin; Qin, Chengbing; Zhang, Xian-Ming; Fu, Dongying","Constructing a photoferroelectric semiconductor by regulating non-covalent interactions through halogen substitution.","Chemical science","2025","16","44","20948","20958","10.1039/d5sc05946a","","","0.71073","MoKα","","0.0803","0.0577","","","0.1512","0.1597","","","","","","1.008","","","","has coordinates","303597","2025-11-29","18:14:29",""
"1575923","27.3369","0.0018","8.3933","0.0004","8.1734","0.0004","90","","90","","90","","1875.36","0.18","355","2","355","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C6 H18 Br4 Cl2 N2 Pb -","- C6 H18 Br4 Cl2 N2 Pb -","- C24 H72 Br16 Cl8 N8 Pb4 -","4","0.5","","He, Yueyue; Wu, Shufang; Li, Xiaofei; Wang, Qi; Zhao, Ruifang; Pan, Lin; Qin, Chengbing; Zhang, Xian-Ming; Fu, Dongying","Constructing a photoferroelectric semiconductor by regulating non-covalent interactions through halogen substitution.","Chemical science","2025","16","44","20948","20958","10.1039/d5sc05946a","","","0.71073","MoKα","","0.0915","0.0698","","","0.2085","0.2274","","","","","","0.902","","","","has coordinates","303597","2025-11-29","18:14:29",""
"1575924","8.3957","0.0005","8.2101","0.0005","27.289","0.002","90","","90","","90","","1881","0.2","375","2","375","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H18 Br4 Cl2 N2 Pb -","- C6 H18 Br4 Cl2 N2 Pb -","- C24 H72 Br16 Cl8 N8 Pb4 -","4","0.5","","He, Yueyue; Wu, Shufang; Li, Xiaofei; Wang, Qi; Zhao, Ruifang; Pan, Lin; Qin, Chengbing; Zhang, Xian-Ming; Fu, Dongying","Constructing a photoferroelectric semiconductor by regulating non-covalent interactions through halogen substitution.","Chemical science","2025","16","44","20948","20958","10.1039/d5sc05946a","","","0.71073","MoKα","","0.1003","0.073","","","0.194","0.2109","","","","","","1.14","","","","has coordinates,has disorder","303597","2025-11-29","18:14:29",""
"1575925","13.8349","0.0016","24.4206","0.0016","18.1092","0.0018","90","","109.12","0.011","90","","5780.8","1","149.9","0.2","149.9","0.2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C88.36 H20.36 Cl7.09 O8 -","- C86 H18 O8 -","- C344 H72 O32 -","4","1","","Steudel, Fabian M.; Sabrià, Clara; Piane, Massimo Delle; Feixas, Ferran; Ribas, Xavi; Pavan, Giovanni M.; von Delius, Max","Observation of shuttling on the one-second timescale in a [10]cycloparaphenylene/C<sub>60</sub> [2]catenane.","Chemical science","2025","16","46","21908","21916","10.1039/d5sc05734e","","x-ray","1.54184","CuKα","","0.1922","0.1296","","","0.3363","0.4202","","","","","","1.063","","","","has coordinates","303648","2025-11-29","18:33:41",""
"1575926","12.8371","0.0006","27.752","0.003","16.345","0.002","90","","104.348","0.008","90","","5641.4","1","150","0.14","150","0.14","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C88 H20 Cl6 O8 -","- C88 H20 Cl6 O8 -","- C352 H80 Cl24 O32 -","4","1","","Steudel, Fabian M.; Sabrià, Clara; Piane, Massimo Delle; Feixas, Ferran; Ribas, Xavi; Pavan, Giovanni M.; von Delius, Max","Observation of shuttling on the one-second timescale in a [10]cycloparaphenylene/C<sub>60</sub> [2]catenane.","Chemical science","2025","16","46","21908","21916","10.1039/d5sc05734e","","x-ray","1.54184","CuKα","","0.2319","0.1031","","","0.2272","0.3138","","","","","","0.937","","","","has coordinates","303648","2025-11-29","18:33:41",""
"1575927","15.9594","0.0012","16.2718","0.0012","20.8553","0.0015","90.963","0.005","94.519","0.005","97.05","0.005","5356.3","0.7","161","","161","","","","","","","","","4","P -1","-P 1","2","","Co-crystal of [10]cycloparaphenylene and in,in-trans-3 bis(methyl (4-ethynylbenzyl) malonato)-C60","","- C149.83 H60.86 Cl11.85 O8 -","- C145.883 H56.909 O8 -","- C291.766 H113.818 O16 -","2","1","","Steudel, Fabian M.; Sabrià, Clara; Piane, Massimo Delle; Feixas, Ferran; Ribas, Xavi; Pavan, Giovanni M.; von Delius, Max","Observation of shuttling on the one-second timescale in a [10]cycloparaphenylene/C<sub>60</sub> [2]catenane.","Chemical science","2025","16","46","21908","21916","10.1039/d5sc05734e","","","1.54178","CuKα","","0.1424","0.0816","","","0.2119","0.259","","","","","","0.928","","","","has coordinates,has disorder","303648","2025-11-29","18:33:41",""
"1575928","13.7994","0.0003","24.8092","0.0004","14.2323","0.0003","90","","112.803","0.003","90","","4491.64","0.18","139.99","0.1","139.99","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C104 H91 Cs2 O5 Pr Si5 -","- C104 H91 Cs2 O5 Pr Si5 -","- C208 H182 Cs4 O10 Pr2 Si10 -","2","1","","Pandey, Pragati; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Sienkiewicz, Andrzej; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Accessing homoleptic neutral and anionic five-coordinate Pr(iv) siloxide complexes.","Chemical science","2025","16","44","21056","21067","10.1039/d5sc05500h","","x-ray","1.54184","CuKα","","0.0938","0.0865","","","0.2199","0.2294","","","","","","1.062","","","","has coordinates","303595","2025-11-29","18:13:43",""
"1575929","24.1029","0.0003","13.5279","0.0002","40.7549","0.0006","90","","96.2414","0.0015","90","","13209.8","0.3","139.99","0.1","139.99","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H108 O16 Pr Si4 -","- C48 H108 O16 Pr Si4 -","- C384 H864 O128 Pr8 Si32 -","8","1","","Pandey, Pragati; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Sienkiewicz, Andrzej; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Accessing homoleptic neutral and anionic five-coordinate Pr(iv) siloxide complexes.","Chemical science","2025","16","44","21056","21067","10.1039/d5sc05500h","","x-ray","1.54184","CuKα","","0.077","0.0684","","","0.141","0.1454","","","","","","1.183","","","","has coordinates,has disorder","303595","2025-11-29","18:13:43",""
"1575930","25.9527","0.0005","14.2269","0.0003","27.4839","0.0005","90","","98.0362","0.0017","90","","10048.1","0.3","139.99","0.1","139.99","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H162 O24 Pr2 Si6 -","- C72 H162 O24 Pr2 Si6 -","- C288 H648 O96 Pr8 Si24 -","4","0.5","","Pandey, Pragati; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Sienkiewicz, Andrzej; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Accessing homoleptic neutral and anionic five-coordinate Pr(iv) siloxide complexes.","Chemical science","2025","16","44","21056","21067","10.1039/d5sc05500h","","x-ray","1.54184","CuKα","","0.0466","0.0399","","","0.0966","0.1012","","","","","","1.041","","","","has coordinates,has disorder","303595","2025-11-29","18:13:43",""
"1575931","19.0205","0.0003","23.9582","0.0007","22.386","0.0004","90","","92.3363","0.0016","90","","10192.8","0.4","140","0.1","140","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C118 H107 K2 O5 Pr Si5 -","- C118 H107 K2 O5 Pr Si5 -","- C472 H428 K8 O20 Pr4 Si20 -","4","1","","Pandey, Pragati; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Sienkiewicz, Andrzej; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Accessing homoleptic neutral and anionic five-coordinate Pr(iv) siloxide complexes.","Chemical science","2025","16","44","21056","21067","10.1039/d5sc05500h","","x-ray","1.54184","CuKα","","0.0997","0.0588","","","0.1196","0.1401","","","","","","1.006","","","","has coordinates,has disorder","303595","2025-11-29","18:13:43",""
"1575932","13.73996","0.00012","24.71494","0.00017","14.12364","0.00013","90","","113.975","0.0011","90","","4382.36","0.07","139.99","0.1","139.99","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C104 H91 K O5 Pr Si5 -","- C104 H91 K O5 Pr Si5 -","- C208 H182 K2 O10 Pr2 Si10 -","2","1","","Pandey, Pragati; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Sienkiewicz, Andrzej; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Accessing homoleptic neutral and anionic five-coordinate Pr(iv) siloxide complexes.","Chemical science","2025","16","44","21056","21067","10.1039/d5sc05500h","","x-ray","1.54184","CuKα","","0.046","0.0456","","","0.1153","0.1155","","","","","","1.163","","","","has coordinates","303595","2025-11-29","18:13:43",""
"1575933","14.1726","0.0002","28.1742","0.0007","26.7761","0.0004","90","","103.81","0.0017","90","","10382.7","0.3","140","0.1","140","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C112 H103 Cl4 K O11 Pr Si5 -","- C111 H101 Cl2 K O11 Pr Si5 -","- C444 H404 Cl8 K4 O44 Pr4 Si20 -","4","1","","Pandey, Pragati; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Sienkiewicz, Andrzej; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Accessing homoleptic neutral and anionic five-coordinate Pr(iv) siloxide complexes.","Chemical science","2025","16","44","21056","21067","10.1039/d5sc05500h","","x-ray","1.54184","CuKα","","0.1329","0.0711","","","0.1828","0.2107","","","","","","1.013","","","","has coordinates","303595","2025-11-29","18:13:43",""
"1575934","13.6841","0.0009","23.2083","0.0015","27.761","0.002","109.761","0.006","95.331","0.006","90.676","0.005","8252.6","1","200","0.11","200","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C93.5 H79 Ce K2 O5 Si5 -","- C90 H75 Ce K2 O5 Si5 -","- C360 H300 Ce4 K8 O20 Si20 -","4","2","","Pandey, Pragati; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Sienkiewicz, Andrzej; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Accessing homoleptic neutral and anionic five-coordinate Pr(iv) siloxide complexes.","Chemical science","2025","16","44","21056","21067","10.1039/d5sc05500h","","x-ray","1.54184","CuKα","","0.234","0.0966","","","0.1855","0.274","","","","","","0.954","","","","has coordinates","303595","2025-11-29","18:13:43",""
"1575935","13.7546","0.0018","24.859","0.003","14.1649","0.0018","90","","113.942","0.016","90","","4426.6","1.1","140","0.1","140","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C104 H91 Cs O5 Pr Si5 -","- C104 H91 Cs O5 Pr Si5 -","- C208 H182 Cs2 O10 Pr2 Si10 -","2","1","","Pandey, Pragati; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Sienkiewicz, Andrzej; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Accessing homoleptic neutral and anionic five-coordinate Pr(iv) siloxide complexes.","Chemical science","2025","16","44","21056","21067","10.1039/d5sc05500h","","x-ray","1.54184","CuKα","","0.1165","0.0714","","","0.1436","0.1784","","","","","","0.9344","","","","has coordinates","303595","2025-11-29","18:13:43",""
"1575936","9.47","0.0004","13.1031","0.0004","21.8976","0.0008","75.406","0.001","81.819","0.001","69.724","0.001","2462.06","0.16","193","","193","","","","","","","","","5","P -1","-P 1","2","","bth","","- C90 H98 N4 O12 S2 -","- C90 H94 N4 O12 S2 -","- C90 H94 N4 O12 S2 -","1","0.5","","Liu, Ao; Xin, Youtao; Zhu, Yong-Kang; Jin, Yuan-Hang; Yang, Yue; Chen, Hongzhu; Li, Meng-Hao; Lou, Xin-Yue; Wang, Xin; Gao, Hui; Yang, Ying-Wei","Macrocycle formation-mediated augmentation in reactive oxygen species production.","Chemical science","2025","16","44","20968","20977","10.1039/d5sc06637a","","","0.71073","MoKα","","0.1081","0.0681","","","0.176","0.1993","","","","","","1.043","","","","has coordinates","303594","2025-11-29","18:12:53",""
"1575937","11.037","0.0009","11.0772","0.001","15.124","0.0013","99.784","0.003","109.902","0.003","105.913","0.003","1599.6","0.2","173","","173","","","","","","","","","4","P -1","-P 1","2","","c","","- C76 H72 Cl4 O8 -","- C76 H72 Cl4 O8 -","- C76 H72 Cl4 O8 -","1","0.5","","Liu, Ao; Xin, Youtao; Zhu, Yong-Kang; Jin, Yuan-Hang; Yang, Yue; Chen, Hongzhu; Li, Meng-Hao; Lou, Xin-Yue; Wang, Xin; Gao, Hui; Yang, Ying-Wei","Macrocycle formation-mediated augmentation in reactive oxygen species production.","Chemical science","2025","16","44","20968","20977","10.1039/d5sc06637a","","","0.71073","MoKα","","0.0808","0.0572","","","0.1463","0.1643","","","","","","1.042","","","","has coordinates","303594","2025-11-29","18:12:53",""
"1575938","14.788","0.003","14.851","0.003","21.736","0.004","93.26","0.005","106.45","0.005","118.165","0.005","3932.3","1.4","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C89.5 H101.5 O9.25 -","- C82 H84 O8 -","- C164 H168 O16 -","2","1","","Liu, Ao; Xin, Youtao; Zhu, Yong-Kang; Jin, Yuan-Hang; Yang, Yue; Chen, Hongzhu; Li, Meng-Hao; Lou, Xin-Yue; Wang, Xin; Gao, Hui; Yang, Ying-Wei","Macrocycle formation-mediated augmentation in reactive oxygen species production.","Chemical science","2025","16","44","20968","20977","10.1039/d5sc06637a","","","0.71073","MoKα","","0.2302","0.1416","","","0.3471","0.4308","","","","","","0.996","","","","has coordinates","303594","2025-11-29","18:12:53",""
"1575939","13.9352","0.0016","46.623","0.006","22.935","0.003","90","","102.658","0.004","90","","14539","3","273.15","","273.15","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C128 H103 B F23 N14 O2 P3.5 Zn2 -","- C128 H103 B F23 N14 O2 P3.5 Zn2 -","- C512 H412 B4 F92 N56 O8 P14 Zn8 -","4","2","","Han, Ningxu; Ma, Jianjun; Yu, Hao; Shi, Junjuan; Dai, Manman; Guo, Ziteng; Gao, Zinuo; Zhang, Houyu; Wang, Ming","Isomeric decker metallo-supramolecules with tunable luminescence and chiroptical properties.","Chemical science","2025","16","44","21010","21019","10.1039/d5sc04596g","","","0.68883","Synchrotron","","0.0674","0.0599","","","0.1636","0.1694","","","","","","1.05","","","","has coordinates","303591","2025-11-29","18:11:49",""
"1575946","16.6502","0.0007","7.3452","0.0003","21.915","0.0009","90","","97.814","0.001","90","","2655.3","0.19","100.15","","100","2","","","","","","","synthesized by the authors","3","C 1 2 1","C 2y","5","","","","- C19 H12 O2 -","- C19 H12 O2 -","- C152 H96 O16 -","8","2","","Dočekal, Vojtěch; Kurčina, Adam; Císařová, Ivana; Veselý, Jan","Enantioselective lactonization catalyzed by chiral N-heterocyclic carbenes enables access to inherently chiral eight-membered lactones.","Chemical science","2025","16","37","17369","17373","10.1039/d5sc05037e","","x-ray","1.54178","CuKα","","0.03","0.03","","","0.0796","0.0796","","","","","","1.039","","","","has coordinates","302368","2025-10-04","10:34:39",""
"1575947","7.9507","0.0002","6.6959","0.0003","16.8907","0.0006","90","","95.01","0.001","90","","895.78","0.06","220","2","220","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C26 H17 N -","- C26 H17 N -","- C52 H34 N2 -","2","1","","Zeng, Chongyang; Liang, Shan; Lin, Jieyu; Liu, Wei; Xie, Zhixin; Cai, Wenxuan; Redshaw, Carl; Feng, Xing; Tang, Ben Zhong","Achieving controllable packing mode and broad colour-tunable emission <i>via</i> the end group effect in pyrene-based aggregation-induced emission luminogens.","Chemical science","2025","16","36","16719","16728","10.1039/d5sc03105b","","","0.71073","MoKα","","0.0974","0.0639","","","0.1565","0.1935","","","","","","1.091","","","","has coordinates","302369","2025-10-04","10:35:59",""
"1575948","8.102","0.002","34.566","0.012","13.851","0.005","90","","100.625","0.011","90","","3813","2","300.01","","300.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H28 F6 N2 -","- C52 H28 F6 N2 -","- C208 H112 F24 N8 -","4","1","","Zeng, Chongyang; Liang, Shan; Lin, Jieyu; Liu, Wei; Xie, Zhixin; Cai, Wenxuan; Redshaw, Carl; Feng, Xing; Tang, Ben Zhong","Achieving controllable packing mode and broad colour-tunable emission <i>via</i> the end group effect in pyrene-based aggregation-induced emission luminogens.","Chemical science","2025","16","36","16719","16728","10.1039/d5sc03105b","","","0.71073","MoKα","","0.1947","0.1421","","","0.2438","0.2949","","","","","","0.925","","","","has coordinates","302369","2025-10-04","10:36:01",""
"1575949","7.5761","0.0002","14.0077","0.0006","23.4633","0.0006","90","","90","","90","","2490.01","0.14","300.01","","300.01","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C37 H23 N -","- C37 H23 N -","- C148 H92 N4 -","4","1","","Zeng, Chongyang; Liang, Shan; Lin, Jieyu; Liu, Wei; Xie, Zhixin; Cai, Wenxuan; Redshaw, Carl; Feng, Xing; Tang, Ben Zhong","Achieving controllable packing mode and broad colour-tunable emission <i>via</i> the end group effect in pyrene-based aggregation-induced emission luminogens.","Chemical science","2025","16","36","16719","16728","10.1039/d5sc03105b","","","0.71073","MoKα","","0.1434","0.0776","","","0.1434","0.1885","","","","","","1.028","","","","has coordinates","302369","2025-10-04","10:36:01",""
"1575950","25.3554","0.0012","7.6892","0.0002","25.5978","0.001","90","","116.939","0.005","90","","4449.1","0.4","99.97","0.17","99.97","0.17","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60.8 H51.6 Cl1.6 N2 O2 -","- C60.8 H51.6 Cl1.6 N2 O2 -","- C243.2 H206.4 Cl6.4 N8 O8 -","4","1","","Li, Zuhao; Zhou, Zhiruo; Yang, Kun; Yao, Yifan; Zhai, Yaxin; Wang, Dong; Zeng, Zebing","Dual-channel deep-NIR-emissive N-embedded PAHs with hybridized local and charge-transfer excited-state.","Chemical science","2025","16","36","16792","16800","10.1039/d5sc01897h","","x-ray","1.54184","CuKα","","0.1455","0.0923","","","0.1543","0.1744","","","","","","1.086","","","","has coordinates,has disorder","302370","2025-10-04","10:36:51",""
"1575951","36.0331","0.0011","21.65","0.0007","13.5723","0.0005","90","","108.747","0.002","90","","10026.3","0.6","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53.5 H32 Cl6 N2 O2 -","- C52 H32 N2 O2 -","- C416 H256 N16 O16 -","8","1","","Li, Zuhao; Zhou, Zhiruo; Yang, Kun; Yao, Yifan; Zhai, Yaxin; Wang, Dong; Zeng, Zebing","Dual-channel deep-NIR-emissive N-embedded PAHs with hybridized local and charge-transfer excited-state.","Chemical science","2025","16","36","16792","16800","10.1039/d5sc01897h","","","1.54178","CuKα","","0.1562","0.1119","","","0.3361","0.3848","","","","","","1.196","","","","has coordinates","302370","2025-10-04","10:36:52",""
"1575952","10.0703","0.0002","14.3818","0.0003","22.0499","0.0005","105.166","0.001","98.44","0.001","91.382","0.001","3042.32","0.11","150.15","","150.15","","","","","","","","","3","P -1","-P 1","2","","","","- C82 H80 N2 -","- C82 H80 N2 -","- C164 H160 N4 -","2","1","","Li, Zuhao; Zhou, Zhiruo; Yang, Kun; Yao, Yifan; Zhai, Yaxin; Wang, Dong; Zeng, Zebing","Dual-channel deep-NIR-emissive N-embedded PAHs with hybridized local and charge-transfer excited-state.","Chemical science","2025","16","36","16792","16800","10.1039/d5sc01897h","","","1.54178","CuKα","","0.0545","0.0418","","","0.1144","0.124","","","","","","1.044","","","","has coordinates","302370","2025-10-04","10:36:53",""
"1575958","28.0174","0.0005","27.1277","0.0007","33.8432","0.0006","90","","94.1706","0.0017","90","","25654.3","0.9","199.99","0.1","199.99","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C122.3 H167.2 N10 O37.3 -","- C115 H138 N10 O30 -","- C920 H1104 N80 O240 -","8","1","","Farooq, Saquib; Crochet, Aurelien; Kilbinger, Andreas F. M.","Design and synthesis of macrocycles with tuneable diameters and helical foldamers with customizable peripheral side chains.","Chemical science","2025","16","43","20570","20579","10.1039/d5sc04138d","","x-ray","1.54184","CuKα","","0.181","0.14","","","0.3976","0.4299","","","","","","1.608","","","","has coordinates,has disorder","303613","2025-11-29","18:20:59",""
"1575959","28.9569","0.0008","28.9569","0.0008","13.4749","0.0008","90","","90","","90","","11298.7","0.8","140","0.1","140","0.1","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C102 H40 N8 O34 -","- C92 N8 O24 -","- C368 N32 O96 -","4","0.25","","Farooq, Saquib; Crochet, Aurelien; Kilbinger, Andreas F. M.","Design and synthesis of macrocycles with tuneable diameters and helical foldamers with customizable peripheral side chains.","Chemical science","2025","16","43","20570","20579","10.1039/d5sc04138d","","x-ray","1.54184","CuKα","","0.2433","0.1626","","","0.4253","0.4878","","","","","","1.517","","","","has coordinates","303613","2025-11-29","18:20:59",""
"1575960","34.872","0.0018","10.7892","0.0006","35.963","0.002","90","","91.767","0.004","90","","13524.3","1.3","250","2","250","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C108 H146 N12 O36 S8 -","- C92 H100 N12 O28 -","- C368 H400 N48 O112 -","4","0.5","","Farooq, Saquib; Crochet, Aurelien; Kilbinger, Andreas F. M.","Design and synthesis of macrocycles with tuneable diameters and helical foldamers with customizable peripheral side chains.","Chemical science","2025","16","43","20570","20579","10.1039/d5sc04138d","","x-ray","1.54186","CuKα","","0.2111","0.1912","","","0.4374","0.4484","","","","","","1.358","","","","has coordinates","303613","2025-11-29","18:20:59",""
"1575961","32.3295","0.0016","8.6597","0.0004","16.7533","0.0008","90","","103.483","0.004","90","","4561","0.4","250","2","250","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H30 N2 O7 -","- C23 H30 N2 O7 -","- C184 H240 N16 O56 -","8","1","","Farooq, Saquib; Crochet, Aurelien; Kilbinger, Andreas F. M.","Design and synthesis of macrocycles with tuneable diameters and helical foldamers with customizable peripheral side chains.","Chemical science","2025","16","43","20570","20579","10.1039/d5sc04138d","","x-ray","0.71073","MoKα","","0.081","0.0509","","","0.1329","0.1515","","","","","","1.05","","","","has coordinates","303613","2025-11-29","18:20:59",""
"1575962","15.0059","0.0019","4.9727","0.0006","16.534","0.002","90","","102.643","0.005","90","","1203.8","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","IPXZ","IPXZ","","- C18 H11 N O -","- C18 H11 N O -","- C72 H44 N4 O4 -","4","1","","Wang, Zetian; Li, Ting; Song, Yongjun; Zhuang, Dajun; Yang, Sen; He, Lei","Over 260-fold enhancement of reverse intersystem crossing by a host-guest exciplex for a multiple resonance emitter toward efficient narrowband electroluminescence.","Chemical science","2025","16","44","21068","21078","10.1039/d5sc05928c","","","1.34139","GaKα","","0.097","0.0806","","","0.1995","0.2058","","","","","","1.139","","","","has coordinates","303596","2025-11-29","18:14:12",""
"1575963","16.2373","0.0009","7.596","0.0004","20.7374","0.0012","90","","90","","90","","2557.7","0.2","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","IPTZ","IPTZ","","- C18 H11 N S -","- C18 H11 N S -","- C144 H88 N8 S8 -","8","1","","Wang, Zetian; Li, Ting; Song, Yongjun; Zhuang, Dajun; Yang, Sen; He, Lei","Over 260-fold enhancement of reverse intersystem crossing by a host-guest exciplex for a multiple resonance emitter toward efficient narrowband electroluminescence.","Chemical science","2025","16","44","21068","21078","10.1039/d5sc05928c","","","1.34139","GaKα","","0.0616","0.0594","","","0.159","0.1607","","","","","","1.059","","","","has coordinates","303596","2025-11-29","18:14:12",""
"1575964","16.3563","0.0014","20.6009","0.0017","7.9397","0.0007","90","","90","","90","","2675.3","0.4","183","","183","","","","","","","","","4","A e a 2","A 2 -2ab","41","IPSeZ","IPSeZ","","- C18 H11 N Se -","- C18 H11 N Se -","- C144 H88 N8 Se8 -","8","1","","Wang, Zetian; Li, Ting; Song, Yongjun; Zhuang, Dajun; Yang, Sen; He, Lei","Over 260-fold enhancement of reverse intersystem crossing by a host-guest exciplex for a multiple resonance emitter toward efficient narrowband electroluminescence.","Chemical science","2025","16","44","21068","21078","10.1039/d5sc05928c","","","1.34139","GaKα","","0.0359","0.0334","","","0.0905","0.0922","","","","","","1.068","","","","has coordinates","303596","2025-11-29","18:14:12",""
"1575965","33.257","0.004","7.2429","0.0007","20.523","0.002","90","","97.653","0.004","90","","4899.5","0.9","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","CAZ-Ph-IPXZ","CAZ-Ph-IPXZ","","- C36 H22 N2 O -","- C36 H22 N2 O -","- C288 H176 N16 O8 -","8","1","","Wang, Zetian; Li, Ting; Song, Yongjun; Zhuang, Dajun; Yang, Sen; He, Lei","Over 260-fold enhancement of reverse intersystem crossing by a host-guest exciplex for a multiple resonance emitter toward efficient narrowband electroluminescence.","Chemical science","2025","16","44","21068","21078","10.1039/d5sc05928c","","","1.34139","GaKα","","0.0428","0.0419","","","0.1113","0.1121","","","","","","1.024","","","","has coordinates","303596","2025-11-29","18:14:12",""
"1575966","17.1218","0.0011","17.1218","0.0011","19.1004","0.0014","90","","90","","120","","4849.2","0.6","243.15","","243.15","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","nia-d-TZB","","- C42 H24 Mn3 N18 O7 -","- C42 H24 Mn3 N18 O7 -","- C84 H48 Mn6 N36 O14 -","2","0.0833333","","Zhang, Wei-Hong; Ma, Ya-Nan; Du, Guo-Tong; Wang, Ping; Xue, Dong-Xu","Fluorine-mediated single-step ethylene purification in face-transitive metal-organic frameworks from binary to ternary gas mixtures.","Chemical science","2025","16","47","22348","22356","10.1039/d5sc06836c","","","1.54178","CuKα","","0.0473","0.0468","","","0.1194","0.1201","","","","","","1.075","","","","has coordinates,has disorder","304089","2025-12-06","22:16:25",""
"1575967","17.0909","0.0009","17.0909","0.0009","19.1443","0.0015","90","","90","","120","","4842.8","0.5","243","","243","","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","nia-d-FTZB","","- C42 H21 F3 Mn3 N18 O7 -","- C42 H21 F3 Mn3 N18 O7 -","- C84 H42 F6 Mn6 N36 O14 -","2","0.0833333","","Zhang, Wei-Hong; Ma, Ya-Nan; Du, Guo-Tong; Wang, Ping; Xue, Dong-Xu","Fluorine-mediated single-step ethylene purification in face-transitive metal-organic frameworks from binary to ternary gas mixtures.","Chemical science","2025","16","47","22348","22356","10.1039/d5sc06836c","","","1.54178","CuKα","","0.0543","0.0529","","","0.1441","0.1463","","","","","","1.066","","","","has coordinates,has disorder","304089","2025-12-06","22:16:25",""
"1575968","12.4604","0.0001","11.5578","0.0001","15.4703","0.0001","90","","107.615","0.001","90","","2123.49","0.03","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H64 Dy2 N4 -","- C46 H64 Dy2 N4 -","- C92 H128 Dy4 N8 -","2","0.5","","Benner, Florian; Deshapriya, Saroshan; Demir, Selvan","A tetraazanaphthalene radical-bridged dysprosium single-molecule magnet with a large coercive field.","Chemical science","2025","16","44","20806","20822","10.1039/d5sc05358g","","x-ray","1.54184","CuKα","","0.0288","0.027","","","0.0635","0.0643","","","","","","1.097","","","","has coordinates,has disorder","303599","2025-11-29","18:15:01",""
"1575969","10.567","0.0001","12.6463","0.0001","25.5268","0.0002","77.5","0.001","78.954","0.001","83.572","0.001","3259.82","0.05","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C70 H64 B Dy2 F20 N4 -","- C70 H64 B Dy2 F20 N4 -","- C140 H128 B2 Dy4 F40 N8 -","2","1","","Benner, Florian; Deshapriya, Saroshan; Demir, Selvan","A tetraazanaphthalene radical-bridged dysprosium single-molecule magnet with a large coercive field.","Chemical science","2025","16","44","20806","20822","10.1039/d5sc05358g","","x-ray","1.54184","CuKα","","0.041","0.0383","","","0.0974","0.0991","","","","","","1.058","","","","has coordinates,has disorder","303599","2025-11-29","18:15:01",""
"1575976","18.4067","0.0009","10.3962","0.0005","19.3564","0.0009","90","","109.753","0.003","90","","3486.1","0.3","150","","150","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C73 H128 N2 U2 -","- C73 H128 N2 U2 -","- C146 H256 N4 U4 -","2","0.5","","Shephard, Angus C. G.; Pedussaut, Lucie; De Marchi, Linda; Demonti, Luca; Rajeshkumar, Thayalan; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Simler, Thomas; Nocton, Grégory","Room temperature dinitrogen cleavage and hydrogenation with organometallic complexes of uranium.","Chemical science","2025","16","45","21334","21345","10.1039/d5sc07194a","","x-ray","0.71073","MoKα","","0.1211","0.0629","","","0.1438","0.1742","","","","","","1.015","","","","has coordinates,has disorder","303669","2025-11-29","18:43:32",""
"1575977","14.2226","0.0004","14.7263","0.0003","22.8579","0.0006","78.484","0.002","83.187","0.002","65.206","0.002","4255.4","0.2","150","","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C89 H141 I N2 U3 -","- C89 H141 I N2 U3 -","- C178 H282 I2 N4 U6 -","2","1","","Shephard, Angus C. G.; Pedussaut, Lucie; De Marchi, Linda; Demonti, Luca; Rajeshkumar, Thayalan; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Simler, Thomas; Nocton, Grégory","Room temperature dinitrogen cleavage and hydrogenation with organometallic complexes of uranium.","Chemical science","2025","16","45","21334","21345","10.1039/d5sc07194a","","","0.71073","MoKα","","0.0567","0.0324","","","0.0667","0.0716","","","","","","0.981","","","","has coordinates,has disorder","303669","2025-11-29","18:43:32",""
"1575978","10.5775","0.0012","25.372","0.004","21.043","0.003","90","","101.426","0.009","90","","5535.4","1.3","150","","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H97 N2 O U2 -","- C55 H97 N2 O U2 -","- C220 H388 N8 O4 U8 -","4","1","","Shephard, Angus C. G.; Pedussaut, Lucie; De Marchi, Linda; Demonti, Luca; Rajeshkumar, Thayalan; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Simler, Thomas; Nocton, Grégory","Room temperature dinitrogen cleavage and hydrogenation with organometallic complexes of uranium.","Chemical science","2025","16","45","21334","21345","10.1039/d5sc07194a","","","0.71073","MoKα","","0.0672","0.0536","","","0.1376","0.1487","","","","","","1.06","","","","has coordinates,has disorder","303669","2025-11-29","18:43:32",""
"1575979","14.0922","0.0003","14.3701","0.0003","23.5776","0.0005","77.506","0.002","82.208","0.002","65.737","0.002","4243.94","0.17","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C89 H140 I N2 U3 -","- C89 H140 I N2 U3 -","- C178 H280 I2 N4 U6 -","2","1","","Shephard, Angus C. G.; Pedussaut, Lucie; De Marchi, Linda; Demonti, Luca; Rajeshkumar, Thayalan; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Simler, Thomas; Nocton, Grégory","Room temperature dinitrogen cleavage and hydrogenation with organometallic complexes of uranium.","Chemical science","2025","16","45","21334","21345","10.1039/d5sc07194a","","","0.71073","MoKα","","0.0375","0.0254","","","0.0567","0.0594","","","","","","1.009","","","","has coordinates,has disorder","303669","2025-11-29","18:43:32",""
"1575980","44.3908","0.0007","11.6107","0.0002","56.6934","0.0011","90","","101.829","0.001","90","","28599.7","0.9","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C73 H130 N2 U2 -","- C73 H130 N2 U2 -","- C1168 H2080 N32 U32 -","16","2","","Shephard, Angus C. G.; Pedussaut, Lucie; De Marchi, Linda; Demonti, Luca; Rajeshkumar, Thayalan; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Simler, Thomas; Nocton, Grégory","Room temperature dinitrogen cleavage and hydrogenation with organometallic complexes of uranium.","Chemical science","2025","16","45","21334","21345","10.1039/d5sc07194a","","","0.71073","MoKα","","0.0774","0.0447","","","0.0924","0.1041","","","","","","1.048","","","","has coordinates","303669","2025-11-29","18:43:32",""
"1575981","11.254","0.003","8.328","0.002","13.391","0.004","90","","91.61","0.011","90","","1254.6","0.6","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H27 N O3 Si -","- C28 H27 N O3 Si -","- C56 H54 N2 O6 Si2 -","2","1","","Liu, Si-Yi; Zhu, Zi-Qi; Chen, Fei-Xiao; Feng, Ni-Na; Ni, Shao-Fei; Shi, Feng","Catalytic asymmetric synthesis of indole-based atropisomers bearing silicon-stereogenic centers.","Chemical science","2025","16","45","21394","21403","10.1039/d5sc05320j","","","1.34139","GaKα","","0.1658","0.0842","","","0.2107","0.2601","","","","","","1.001","","","","has coordinates","303670","2025-11-29","18:44:00",""
"1575982","21.78196","0.0001","15.03091","0.00007","24.1043","0.00013","90","","92.8717","0.0004","90","","7881.9","0.07","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H104 Ce Mo10 N5 O36.5 -","- C44 H104 Ce Mo10 N5 O36.5 -","- C176 H416 Ce4 Mo40 N20 O146 -","4","1","","Shiels, Dominic; Pittalis, Michele; Gunarathna, Nadeeshan; Berlfein, Adriana C.; Brennessel, William W.; Ruggiero, Michael T.; Matson, Ellen M.","Isolation of Ce(iv) centered polyoxoalkoxide sandwich-type complexes allows comparison of metal-oxygen bond covalency.","Chemical science","2025","16","46","21917","21931","10.1039/d5sc06415e","","x-ray","1.54184","CuKα","","0.0503","0.0481","","","0.1091","0.1102","","","","","","1.112","","","","has coordinates,has disorder","303645","2025-11-29","18:32:35",""
"1575983","13.11989","0.00007","14.37437","0.0001","25.938","0.0002","77.006","0.0006","89.2214","0.0005","75.4995","0.0005","4609.83","0.06","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C59 H144 Ce Mo2 N5 O39 W8 -","- C59 H144 Ce Mo2 N5 O39 W8 -","- C118 H288 Ce2 Mo4 N10 O78 W16 -","2","1","","Shiels, Dominic; Pittalis, Michele; Gunarathna, Nadeeshan; Berlfein, Adriana C.; Brennessel, William W.; Ruggiero, Michael T.; Matson, Ellen M.","Isolation of Ce(iv) centered polyoxoalkoxide sandwich-type complexes allows comparison of metal-oxygen bond covalency.","Chemical science","2025","16","46","21917","21931","10.1039/d5sc06415e","","x-ray","1.54184","CuKα","","0.0298","0.0287","","","0.0627","0.0632","","","","","","1.108","","","","has coordinates,has disorder","303645","2025-11-29","18:32:35",""
"1575984","21.8546","0.0002","15.1007","0.0001","24.2678","0.0002","90","","92.809","0.001","90","","7999.23","0.11","173","0.1","173","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H104 Ce Mo2 N5 O36.5 W8 -","- C44 H104 Ce Mo2 N5 O36.5 W8 -","- C176 H416 Ce4 Mo8 N20 O146 W32 -","4","1","","Shiels, Dominic; Pittalis, Michele; Gunarathna, Nadeeshan; Berlfein, Adriana C.; Brennessel, William W.; Ruggiero, Michael T.; Matson, Ellen M.","Isolation of Ce(iv) centered polyoxoalkoxide sandwich-type complexes allows comparison of metal-oxygen bond covalency.","Chemical science","2025","16","46","21917","21931","10.1039/d5sc06415e","","x-ray","1.54184","CuKα","","0.0417","0.038","","","0.083","0.0848","","","","","","1.048","","","","has coordinates,has disorder","303645","2025-11-29","18:32:35",""
"1575985","23.9256","0.0001","22.6161","0.0001","18.2707","0.0001","90","","108.191","0.001","90","","9392.24","0.09","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H142 Ce Mo10 N5 O37 -","- C60 H142 Ce Mo10 N5 O37 -","- C240 H568 Ce4 Mo40 N20 O148 -","4","1","","Shiels, Dominic; Pittalis, Michele; Gunarathna, Nadeeshan; Berlfein, Adriana C.; Brennessel, William W.; Ruggiero, Michael T.; Matson, Ellen M.","Isolation of Ce(iv) centered polyoxoalkoxide sandwich-type complexes allows comparison of metal-oxygen bond covalency.","Chemical science","2025","16","46","21917","21931","10.1039/d5sc06415e","","x-ray","1.54184","CuKα","","0.0274","0.0263","","","0.066","0.0667","","","","","","1.066","","","","has coordinates,has disorder","303645","2025-11-29","18:32:35",""
"1575986","15.6604","0.0006","15.6604","0.0006","48.736","0.003","90","","90","","120","","10351.1","0.8","223","","223","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C108 H90 Br12 Mn3 S6 -","- C108 H90 Br12 Mn3 S6 -","- C432 H360 Br48 Mn12 S24 -","4","0.222222","","Wang, Mengzhu; Li, Xiaolong; Zou, Siwen; Cui, Haixia; Deng, Yongjing; Li, Jiangang; Jiang, Yi; Wang, Longlu; Liu, Shujuan; Zhao, Qiang; Ma, Yun","Near-unity and narrow green emission from a manganese(ii) bromide for efficient WLEDs and 3D X-ray imaging.","Chemical science","2025","16","45","21423","21432","10.1039/d5sc04721h","","","0.71073","MoKα","","0.0353","0.0294","","","0.0618","0.0648","","","","","","1.034","","","","has coordinates","303668","2025-11-29","18:43:06",""
"1575987","9.29","0.0003","17.7124","0.0005","21.3537","0.0005","90","","99.555","0.001","90","","3464.97","0.17","223","","223","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Cl4 Mn S2 -","- C36 H30 Cl4 Mn S2 -","- C144 H120 Cl16 Mn4 S8 -","4","1","","Wang, Mengzhu; Li, Xiaolong; Zou, Siwen; Cui, Haixia; Deng, Yongjing; Li, Jiangang; Jiang, Yi; Wang, Longlu; Liu, Shujuan; Zhao, Qiang; Ma, Yun","Near-unity and narrow green emission from a manganese(ii) bromide for efficient WLEDs and 3D X-ray imaging.","Chemical science","2025","16","45","21423","21432","10.1039/d5sc04721h","","","0.71073","MoKα","","0.0421","0.0318","","","0.0726","0.0806","","","","","","1.064","","","","has coordinates","303668","2025-11-29","18:43:06",""
"1575988","7.0485","0.0002","7.2975","0.0002","14.107","0.0005","78.535","0.002","78.684","0.001","79.098","0.001","688.75","0.04","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Cu N2 O4 S2 -","- C12 H12 Cu N2 O4 S2 -","- C24 H24 Cu2 N4 O8 S4 -","2","1","","Mishra, Atreyee; Black, Dominic J.; Bradford, Thomas S.; Djoko, Karrera Y.; Hofmann, Benjamin J.; Hunter, Jamie J.; Lord, Rianne M.; Pal, Robert; Smart, Harvey J.; Stringer, Tameryn; Walton, James W.","Copper pyrithione complexes with endoplasmic reticulum localisation showing anticancer activity <i>via</i> ROS generation.","Chemical science","2025","16","44","21104","21110","10.1039/d4sc06628f","","x-ray","0.71073","MoKα","","0.0552","0.0413","","","0.0763","0.0809","","","","","","1.0277","","","","has coordinates","303590","2025-11-29","18:11:30",""
"1575989","4.1289","0.0003","7.5872","0.0005","10.9528","0.0007","72.074","0.003","89.98","0.003","83.141","0.003","323.88","0.04","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Cu N2 O2 S2 -","- C12 H12 Cu N2 O2 S2 -","- C12 H12 Cu N2 O2 S2 -","1","0.5","","Mishra, Atreyee; Black, Dominic J.; Bradford, Thomas S.; Djoko, Karrera Y.; Hofmann, Benjamin J.; Hunter, Jamie J.; Lord, Rianne M.; Pal, Robert; Smart, Harvey J.; Stringer, Tameryn; Walton, James W.","Copper pyrithione complexes with endoplasmic reticulum localisation showing anticancer activity <i>via</i> ROS generation.","Chemical science","2025","16","44","21104","21110","10.1039/d4sc06628f","","x-ray","0.71073","MoKα","","0.0471","0.0334","","","0.0698","0.0744","","","","","","1.062","","","","has coordinates","303590","2025-11-29","18:11:30",""
"1575990","16.8078","0.0005","13.2442","0.0004","18.6661","0.0005","90","","90","","90","","4155.2","0.2","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Cu N2 O4 S2 -","- C12 H12 Cu N2 O4 S2 -","- C144 H144 Cu12 N24 O48 S24 -","12","1.5","","Mishra, Atreyee; Black, Dominic J.; Bradford, Thomas S.; Djoko, Karrera Y.; Hofmann, Benjamin J.; Hunter, Jamie J.; Lord, Rianne M.; Pal, Robert; Smart, Harvey J.; Stringer, Tameryn; Walton, James W.","Copper pyrithione complexes with endoplasmic reticulum localisation showing anticancer activity <i>via</i> ROS generation.","Chemical science","2025","16","44","21104","21110","10.1039/d4sc06628f","","","0.71073","MoKα","","0.0538","0.0438","","","0.0849","0.0882","","","","","","1.124","","","","has coordinates","303590","2025-11-29","18:11:30",""
"1575991","7.478","0.003","13.63","0.005","6.982","0.002","90","","106.895","0.009","90","","680.9","0.4","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cu N2 O2 S2 -","- C12 H12 Cu N2 O2 S2 -","- C24 H24 Cu2 N4 O4 S4 -","2","0.5","","Mishra, Atreyee; Black, Dominic J.; Bradford, Thomas S.; Djoko, Karrera Y.; Hofmann, Benjamin J.; Hunter, Jamie J.; Lord, Rianne M.; Pal, Robert; Smart, Harvey J.; Stringer, Tameryn; Walton, James W.","Copper pyrithione complexes with endoplasmic reticulum localisation showing anticancer activity <i>via</i> ROS generation.","Chemical science","2025","16","44","21104","21110","10.1039/d4sc06628f","","x-ray","0.71073","MoKα","","0.1656","0.0795","","","0.1536","0.1768","","","","","","1.109","","","","has coordinates","303590","2025-11-29","18:11:30",""
"1575992","3.9634","0.0002","7.5851","0.0004","10.8927","0.0006","82.893","0.002","86.756","0.002","80.578","0.002","320.34","0.03","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Cu N2 O2 S2 -","- C12 H12 Cu N2 O2 S2 -","- C12 H12 Cu N2 O2 S2 -","1","0.5","","Mishra, Atreyee; Black, Dominic J.; Bradford, Thomas S.; Djoko, Karrera Y.; Hofmann, Benjamin J.; Hunter, Jamie J.; Lord, Rianne M.; Pal, Robert; Smart, Harvey J.; Stringer, Tameryn; Walton, James W.","Copper pyrithione complexes with endoplasmic reticulum localisation showing anticancer activity <i>via</i> ROS generation.","Chemical science","2025","16","44","21104","21110","10.1039/d4sc06628f","","x-ray","0.71073","MoKα","","0.0332","0.0295","","","0.0697","0.0712","","","","","","1.076","","","","has coordinates","303590","2025-11-29","18:11:30",""
"1575993","4.4334","0.0002","12.6398","0.0006","13.3645","0.0007","98.982","0.002","94.392","0.002","90.911","0.002","737.26","0.06","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C12 H6 Cu F6 N2 O2 S2 -","- C12 H6 Cu F6 N2 O2 S2 -","- C24 H12 Cu2 F12 N4 O4 S4 -","2","1","","Mishra, Atreyee; Black, Dominic J.; Bradford, Thomas S.; Djoko, Karrera Y.; Hofmann, Benjamin J.; Hunter, Jamie J.; Lord, Rianne M.; Pal, Robert; Smart, Harvey J.; Stringer, Tameryn; Walton, James W.","Copper pyrithione complexes with endoplasmic reticulum localisation showing anticancer activity <i>via</i> ROS generation.","Chemical science","2025","16","44","21104","21110","10.1039/d4sc06628f","","x-ray","0.71073","MoKα","","0.0426","0.0297","","","0.0707","0.0751","","","","","","1.046","","","","has coordinates","303590","2025-11-29","18:11:30",""
"1576005","9.2342","0.0001","31.6515","0.0004","10.3176","0.0001","90","","99.786","0.001","90","","2971.71","0.06","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Cl3 N P2 S Sn -","- C30 H30 Cl3 N P2 S Sn -","- C120 H120 Cl12 N4 P8 S4 Sn4 -","4","1","","Jörges, Mike; Knyszek, Daniel; Kumar, Manoj; Swamy, Varre S. V. S. N.; Gessner, Viktoria H.","Isolation of a Lewis acid-base stabilized stannanone.","Chemical science","2025","16","44","21087","21093","10.1039/d5sc06549f","","x-ray","1.54184","CuKα","","0.0534","0.0522","","","0.1353","0.1368","","","","","","1.046","","","","has coordinates","303592","2025-11-29","18:12:11",""
"1576006","28.0096","0.0003","12.2995","0.0001","18.7039","0.0002","90","","94.742","0.001","90","","6421.51","0.11","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C60 H60 Cl2 N2 O P4 S2 Sn2 -","- C60 H60 Cl2 N2 O P4 S2 Sn2 -","- C240 H240 Cl8 N8 O4 P16 S8 Sn8 -","4","0.5","","Jörges, Mike; Knyszek, Daniel; Kumar, Manoj; Swamy, Varre S. V. S. N.; Gessner, Viktoria H.","Isolation of a Lewis acid-base stabilized stannanone.","Chemical science","2025","16","44","21087","21093","10.1039/d5sc06549f","","x-ray","1.54184","CuKα","","0.036","0.0341","","","0.0917","0.0933","","","","","","1.046","","","","has coordinates,has disorder","303592","2025-11-29","18:12:11",""
"1576007","19.7673","0.0001","15.7479","0.0001","19.8246","0.0001","90","","91.649","0.001","90","","6168.71","0.06","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C61 H62 B Cl3 F4 N2 P4 S2 Sn -","- C61 H62 B Cl3 F4 N2 P4 S2 Sn -","- C244 H248 B4 Cl12 F16 N8 P16 S8 Sn4 -","4","1","","Jörges, Mike; Knyszek, Daniel; Kumar, Manoj; Swamy, Varre S. V. S. N.; Gessner, Viktoria H.","Isolation of a Lewis acid-base stabilized stannanone.","Chemical science","2025","16","44","21087","21093","10.1039/d5sc06549f","","x-ray","1.54184","CuKα","","0.0412","0.0402","","","0.1021","0.1027","","","","","","1.035","","","","has coordinates,has disorder","303592","2025-11-29","18:12:11",""
"1576008","9.9416","0.0003","20.0598","0.0003","19.7546","0.0005","90","","124.943","0.004","90","","3229.4","0.2","105","2","105","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H43 Cl3 P2 S Sn -","- C31 H43 Cl3 P2 S Sn -","- C124 H172 Cl12 P8 S4 Sn4 -","4","1","","Jörges, Mike; Knyszek, Daniel; Kumar, Manoj; Swamy, Varre S. V. S. N.; Gessner, Viktoria H.","Isolation of a Lewis acid-base stabilized stannanone.","Chemical science","2025","16","44","21087","21093","10.1039/d5sc06549f","","x-ray","1.54184","CuKα","","0.042","0.0386","","","0.0954","0.0974","","","","","","1.062","","","","has coordinates","303592","2025-11-29","18:12:11",""
"1576009","11.0011","0.0005","14.224","0.0007","21.907","0.0007","102.299","0.003","94.481","0.003","110.011","0.004","3104.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C122 H124 Cl12 N4 P8 S4 Sn3 -","- C122 H124 Cl12 N4 P8 S4 Sn3 -","- C122 H124 Cl12 N4 P8 S4 Sn3 -","1","0.5","","Jörges, Mike; Knyszek, Daniel; Kumar, Manoj; Swamy, Varre S. V. S. N.; Gessner, Viktoria H.","Isolation of a Lewis acid-base stabilized stannanone.","Chemical science","2025","16","44","21087","21093","10.1039/d5sc06549f","","x-ray","1.54184","CuKα","","0.0753","0.0622","","","0.1646","0.1769","","","","","","1.045","","","","has coordinates","303592","2025-11-29","18:12:11",""
"1576010","19.897","0.0003","17.9304","0.0001","19.0955","0.0003","90","","113.58","0.002","90","","6243.7","0.17","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H72 N4 P2 S2 Si4 Sn2 -","- C58 H72 N4 P2 S2 Si4 Sn2 -","- C232 H288 N16 P8 S8 Si16 Sn8 -","4","1","","Jörges, Mike; Knyszek, Daniel; Kumar, Manoj; Swamy, Varre S. V. S. N.; Gessner, Viktoria H.","Isolation of a Lewis acid-base stabilized stannanone.","Chemical science","2025","16","44","21087","21093","10.1039/d5sc06549f","","x-ray","1.54184","CuKα","","0.0285","0.0256","","","0.0645","0.0659","","","","","","1.017","","","","has coordinates","303592","2025-11-29","18:12:11",""
"1576011","9.4598","0.0006","9.2763","0.0006","9.9121","0.0006","90","","113.432","0.002","90","","798.08","0.09","273.15","","273.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C2 H9 Cl N O4 P Zn -","- C2 H9 Cl N O4 P Zn -","- C8 H36 Cl4 N4 O16 P4 Zn4 -","4","1","","Tang, Ru-Ling; Yue Wang, ?; Lv, Yi-Lei; Miao, Bing-Wei; Liu, Wenlong; Guo, Sheng-Ping","Significant enhancement in the birefringence of metal phosphite halides <i>via</i> the introduction of π-conjugated cations.","Chemical science","2025","16","46","22021","22028","10.1039/d5sc04977f","","","0.71073","MoKα","","0.0291","0.0209","","","0.0457","0.048","","","","","","1.088","","","","has coordinates","303646","2025-11-29","18:32:57",""
"1576012","16.1039","0.0008","18.17","0.001","7.4568","0.0005","90","","90","","90","","2181.9","0.2","269","","273.15","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","a","","- C5 H9 Cl2 N2 O3 P Zn -","- C5 H9 Cl2 N2 O3 P Zn -","- C40 H72 Cl16 N16 O24 P8 Zn8 -","8","1","","Tang, Ru-Ling; Yue Wang, ?; Lv, Yi-Lei; Miao, Bing-Wei; Liu, Wenlong; Guo, Sheng-Ping","Significant enhancement in the birefringence of metal phosphite halides <i>via</i> the introduction of π-conjugated cations.","Chemical science","2025","16","46","22021","22028","10.1039/d5sc04977f","","","0.71073","MoKα","","0.0592","0.0326","","","0.0587","0.065","","","","","","1.033","","","","has coordinates","303646","2025-11-29","18:32:57",""
"1576013","19.52","0.004","38.42","0.008","35.47","0.007","90","","97.85","0.03","90","","26352","9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C218 H236 Cl6 -","- C218 H236 Cl6 -","- C872 H944 Cl24 -","4","1","","Fukunaga, Toshiya M.; Takaba, Kiyofumi; Yoshida, Satoshi; Maki-Yonekura, Saori; Yonekura, Koji; Isobe, Hiroyuki","Expanded segments of three-dimensional carbonaceous nets with chirality: synthesis and structures.","Chemical science","2025","16","42","19594","19600","10.1039/d5sc06999h","","","0.9","synchrotron","","0.2438","0.1977","","","0.5379","0.5712","","","","","","1.561","","","","has coordinates,has disorder","303630","2025-11-29","18:27:07",""
"1576014","23.17","0.02","25.09","0.03","42.23","0.04","92.43","0.05","105.74","0.05","117.31","0.05","20592","4","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C408 H456 B12 O12 -","- C408 H456 B12 O12 -","- C816 H912 B24 O24 -","2","1","","Fukunaga, Toshiya M.; Takaba, Kiyofumi; Yoshida, Satoshi; Maki-Yonekura, Saori; Yonekura, Koji; Isobe, Hiroyuki","Expanded segments of three-dimensional carbonaceous nets with chirality: synthesis and structures.","Chemical science","2025","16","42","19594","19600","10.1039/d5sc06999h","","","0.01968","electron","","0.5573","0.4576","","","0.7758","0.8198","","","","","","2.759","","","","has coordinates","303630","2025-11-29","18:27:07",""
"1576015","6.5367","0.0002","8.6085","0.0002","10.8444","0.0005","71.974","0.008","82.221","0.009","72.695","0.008","553.38","0.05","113.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H32 O8 Si4 -","- C12 H32 O8 Si4 -","- C12 H32 O8 Si4 -","1","0.5","","Nguyen, Hera T.; Sbaraini, Nicolau; Bracegirdle, Joe; Smithers, Luke; Moggach, Stephen A.; Vuong, Daniel; Lacey, Ernest; Solomon, Peter S.; Haywood, Joel; Piggott, Andrew M.; Chooi, Yit-Heng","Heterologous expression of an <i>in planta</i>-upregulated gene cluster in the wheat pathogen <i>Parastagonospora nodorum</i> establishes the biosynthesis of methylene-bridged depsides.","Chemical science","2025","16","46","21852","21861","10.1039/d5sc05442g","","","0.7107","MoKα","","","0.058","","","","0.162","","","","","","1.519","","","","has coordinates","303644","2025-11-29","18:32:08",""
"1576016","7.3057","0.0003","8.9953","0.0004","14.6402","0.0003","90.071","0.002","99.076","0.003","111.84","0.004","879.99","0.06","100.02","0.1","100.02","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C20 H22 O8 -","- C20 H22 O8 -","- C40 H44 O16 -","2","1","","Nguyen, Hera T.; Sbaraini, Nicolau; Bracegirdle, Joe; Smithers, Luke; Moggach, Stephen A.; Vuong, Daniel; Lacey, Ernest; Solomon, Peter S.; Haywood, Joel; Piggott, Andrew M.; Chooi, Yit-Heng","Heterologous expression of an <i>in planta</i>-upregulated gene cluster in the wheat pathogen <i>Parastagonospora nodorum</i> establishes the biosynthesis of methylene-bridged depsides.","Chemical science","2025","16","46","21852","21861","10.1039/d5sc05442g","","x-ray","1.54184","CuKα","","0.0743","0.0652","","","0.1789","0.1873","","","","","","1.072","","","","has coordinates","303644","2025-11-29","18:32:08",""
"1576017","16.6109","0.0015","9.0434","0.0005","25.32","0.002","90","","104.606","0.009","90","","3680.6","0.5","100","0.1","100","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 O9 -","- C19 H20 O8 -","- C152 H160 O64 -","8","1","","Nguyen, Hera T.; Sbaraini, Nicolau; Bracegirdle, Joe; Smithers, Luke; Moggach, Stephen A.; Vuong, Daniel; Lacey, Ernest; Solomon, Peter S.; Haywood, Joel; Piggott, Andrew M.; Chooi, Yit-Heng","Heterologous expression of an <i>in planta</i>-upregulated gene cluster in the wheat pathogen <i>Parastagonospora nodorum</i> establishes the biosynthesis of methylene-bridged depsides.","Chemical science","2025","16","46","21852","21861","10.1039/d5sc05442g","","x-ray","1.54184","CuKα","","0.1232","0.1142","","","0.2107","0.2147","","","","","","1.179","","","","has coordinates,has disorder","303644","2025-11-29","18:32:08",""
"1576018","9.8628","0.0006","14.8091","0.0011","15.4382","0.0011","97.723","0.003","93.763","0.002","105.157","0.002","2144.7","0.3","100","2","100","","","","","","","","","5","P -1","-P 1","2","","octakis(3-(p-tolylthio)propyl)octasilsesquioxane","","- C40 H52 O6 S4 Si4 -","- C40 H52 O6 S4 Si4 -","- C80 H104 O12 S8 Si8 -","2","1","","Nguyen, Hera T.; Sbaraini, Nicolau; Bracegirdle, Joe; Smithers, Luke; Moggach, Stephen A.; Vuong, Daniel; Lacey, Ernest; Solomon, Peter S.; Haywood, Joel; Piggott, Andrew M.; Chooi, Yit-Heng","Heterologous expression of an <i>in planta</i>-upregulated gene cluster in the wheat pathogen <i>Parastagonospora nodorum</i> establishes the biosynthesis of methylene-bridged depsides.","Chemical science","2025","16","46","21852","21861","10.1039/d5sc05442g","","x-ray","0.71073","MoKα","","0.0298","0.0274","","","0.0714","0.073","","","","","","1.047","","","","has coordinates","303644","2025-11-29","18:32:08",""
"1576019","6.2724","0.0001","12.6137","0.0001","22.639","0.0003","90","","90","","90","","1791.16","0.04","172.99","0.1","172.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","1","","Pan, Renming; Zhu, Jie; Zhou, Xinjie; Wang, Minyan; Lu, Ping","Ligand-controlled divergent enantioselective hydroarylation of cyclobutenes.","Chemical science","2025","16","45","21498","21507","10.1039/d5sc05740j","","x-ray","1.54184","CuKα","","0.0297","0.0289","","","0.0733","0.0738","","","","","","1.051","","","","has coordinates","303667","2025-11-29","18:42:56",""
"1576020","7.6593","0.0005","8.7731","0.0006","11.3505","0.0008","70.661","0.006","83.531","0.006","83.032","0.006","712.21","0.09","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H11 As S -","- C19 H11 As S -","- C38 H22 As2 S2 -","2","1","","Nishimura, Kazutoshi; Iwamoto, Hiroki; Nishii, Yuji; Hirano, Koji","Synthesis of dibenzoarsole derivatives from biarylborates <i>via</i> the twofold formation of C-As bonds using arsenium dication equivalents.","Chemical science","2025","16","45","21433","21439","10.1039/d5sc05528h","","x-ray","1.54184","CuKα","","0.0753","0.0697","","","0.181","0.1901","","","","","","1.049","","","","has coordinates","303661","2025-11-29","18:41:16",""
"1576022","10.906","0.002","11.48","0.003","11.675","0.003","89.939","0.007","84.808","0.007","62.721","0.006","1292.5","0.5","240","2","240","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H26 N4 -","- C32 H26 N4 -","- C64 H52 N8 -","2","1","","Wang, Peng; Su, Ziyao; Yang, Zeqian; Cheng, Jianhua; Yang, Hengquan; Kibeye, Israel M.; Chen, Xia","Bimetallic aluminum complexes bearing β-pyridyl-enamino ligands: synthesis, characterization and their applications in the ring-opening polymerization of ε-caprolactone","Polymer Chemistry","2025","16","43","4745","4754","10.1039/D5PY00481K","","","0.71073","MoKα","","0.0808","0.0512","","","0.1277","0.1479","","","","","","1.048","","","","has coordinates","303969","2025-11-29","22:17:58",""
"1576023","6.9681","0.0004","16.3532","0.001","13.8506","0.0009","90","","90.087","0.002","90","","1578.28","0.17","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 Al2 N4 -","- C36 H36 Al2 N4 -","- C72 H72 Al4 N8 -","2","0.5","","Wang, Peng; Su, Ziyao; Yang, Zeqian; Cheng, Jianhua; Yang, Hengquan; Kibeye, Israel M.; Chen, Xia","Bimetallic aluminum complexes bearing β-pyridyl-enamino ligands: synthesis, characterization and their applications in the ring-opening polymerization of ε-caprolactone","Polymer Chemistry","2025","16","43","4745","4754","10.1039/D5PY00481K","","","0.71073","MoKα","","0.0542","0.0414","","","0.0966","0.1039","","","","","","1.062","","","","has coordinates","303969","2025-11-29","22:17:58",""
"1576024","11.643","0.0005","15.3732","0.0007","16.1792","0.0009","90","","105.923","0.001","90","","2784.8","0.2","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Al2 N4 -","- C30 H32 Al2 N4 -","- C120 H128 Al8 N16 -","4","0.5","","Wang, Peng; Su, Ziyao; Yang, Zeqian; Cheng, Jianhua; Yang, Hengquan; Kibeye, Israel M.; Chen, Xia","Bimetallic aluminum complexes bearing β-pyridyl-enamino ligands: synthesis, characterization and their applications in the ring-opening polymerization of ε-caprolactone","Polymer Chemistry","2025","16","43","4745","4754","10.1039/D5PY00481K","","","0.71073","MoKα","","0.0453","0.0398","","","0.1125","0.1174","","","","","","1.049","","","","has coordinates","303969","2025-11-29","22:17:58",""
"1576025","8.8109","0.0007","9.2205","0.0007","22.3313","0.0017","100.887","0.003","93.046","0.003","92.305","0.003","1776.7","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H44 Al2 N4 -","- C40 H44 Al2 N4 -","- C80 H88 Al4 N8 -","2","1","","Wang, Peng; Su, Ziyao; Yang, Zeqian; Cheng, Jianhua; Yang, Hengquan; Kibeye, Israel M.; Chen, Xia","Bimetallic aluminum complexes bearing β-pyridyl-enamino ligands: synthesis, characterization and their applications in the ring-opening polymerization of ε-caprolactone","Polymer Chemistry","2025","16","43","4745","4754","10.1039/D5PY00481K","","","0.71073","MoKα","","0.1","0.0659","","","0.1168","0.1284","","","","","","1.053","","","","has coordinates","303969","2025-11-29","22:17:58",""
"1576026","9.5455","0.0004","22.6077","0.0008","14.0459","0.0004","90","","98.6","0.001","90","","2997.05","0.19","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 Al2 N4 -","- C32 H36 Al2 N4 -","- C128 H144 Al8 N16 -","4","1","","Wang, Peng; Su, Ziyao; Yang, Zeqian; Cheng, Jianhua; Yang, Hengquan; Kibeye, Israel M.; Chen, Xia","Bimetallic aluminum complexes bearing β-pyridyl-enamino ligands: synthesis, characterization and their applications in the ring-opening polymerization of ε-caprolactone","Polymer Chemistry","2025","16","43","4745","4754","10.1039/D5PY00481K","","","0.71073","MoKα","","0.0628","0.0449","","","0.1019","0.1121","","","","","","1.056","","","","has coordinates","303969","2025-11-29","22:17:58",""
"1576027","11.2674","0.0012","17.0489","0.0018","26.606","0.003","105.266","0.004","96.587","0.004","90.018","0.004","4895.6","0.9","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H36 Al2 N4 -","- C36 H36 Al2 N4 -","- C216 H216 Al12 N24 -","6","3","","Wang, Peng; Su, Ziyao; Yang, Zeqian; Cheng, Jianhua; Yang, Hengquan; Kibeye, Israel M.; Chen, Xia","Bimetallic aluminum complexes bearing β-pyridyl-enamino ligands: synthesis, characterization and their applications in the ring-opening polymerization of ε-caprolactone","Polymer Chemistry","2025","16","43","4745","4754","10.1039/D5PY00481K","","","0.71073","MoKα","","0.113","0.0937","","","0.2696","0.2959","","","","","","1.063","","","","has coordinates","303969","2025-11-29","22:17:58",""
"1576028","8.242","0.0008","9.4049","0.0009","15.0201","0.0014","103.39","0.003","98.22","0.002","103.075","0.003","1079.57","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H23 Cl N2 Pd -","- C25 H23 Cl N2 Pd -","- C50 H46 Cl2 N4 Pd2 -","2","1","","Fan, Huijun; Ma, Mengya; Dai, Shengyu","Enhanced suppression of chain transfer in ethylene (co)polymerization via synergistic axial substituent effects in pyridine-imine Ni(ii) and Pd(ii) catalysts","Polymer Chemistry","2025","16","43","4764","4773","10.1039/D5PY00857C","","","0.71073","MoKα","","0.0698","0.0626","","","0.1731","0.18","","","","","","1.06","","","","has coordinates,has disorder","303968","2025-11-29","22:17:40",""
"1576029","7.965","0.0008","11.224","0.0012","27.18","0.003","92.89","0.002","95.26","0.003","106.44","0.004","2313.3","0.4","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H43 Cl N2 Pd -","- C51 H43 Cl N2 Pd -","- C102 H86 Cl2 N4 Pd2 -","2","1","","Fan, Huijun; Ma, Mengya; Dai, Shengyu","Enhanced suppression of chain transfer in ethylene (co)polymerization via synergistic axial substituent effects in pyridine-imine Ni(ii) and Pd(ii) catalysts","Polymer Chemistry","2025","16","43","4764","4773","10.1039/D5PY00857C","","","0.71073","MoKα","","0.3027","0.1684","","","0.3794","0.4372","","","","","","1.023","","","","has coordinates,has disorder","303968","2025-11-29","22:17:40",""
"1576030","39.9365","0.0004","39.9365","0.0004","24.4862","0.0004","90","","90","","120","","33821.4","0.7","100","2","100","2","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C44 H21 O16 Zr3 -","- C44 H21 O16 Zr3 -","- C264 H126 O96 Zr18 -","6","0.25","","Ortín-Rubio, Borja; Yang, Yunhui; Borrego-Marin, Emilio; Rostoll-Berenguer, Jaume; Vila, Carlos; Juanhuix, Judith; Imaz, Inhar; Navarro, Jorge A. R.; Maspoch, Daniel","Linker desymmetrisation unlocks new topologies, defective clusters, and catalytic activity in zirconium- and rare-earth metal-organic frameworks.","Chemical science","2025","16","45","21600","21613","10.1039/d5sc05365j","","","0.82653","synchrotron","","0.0828","0.0698","","","0.2395","0.2547","","","","","","0.985","","","","has coordinates","303663","2025-11-29","18:41:51",""
"1576031","14.462","0.001","35.446","0.002","26.498","0.002","90","","90","","90","","13583.4","1.6","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C128 H76 F4 O39 Y7 -","- C128 H76 F4 O39 Y7 -","- C512 H304 F16 O156 Y28 -","4","0.5","","Ortín-Rubio, Borja; Yang, Yunhui; Borrego-Marin, Emilio; Rostoll-Berenguer, Jaume; Vila, Carlos; Juanhuix, Judith; Imaz, Inhar; Navarro, Jorge A. R.; Maspoch, Daniel","Linker desymmetrisation unlocks new topologies, defective clusters, and catalytic activity in zirconium- and rare-earth metal-organic frameworks.","Chemical science","2025","16","45","21600","21613","10.1039/d5sc05365j","","","0.82653","synchrotron","","0.0641","0.06","","","0.1944","0.1982","","","","","","1.1","","","","has coordinates","303663","2025-11-29","18:41:51",""
"1576032","22.2811","0.0008","33.7528","0.0009","24.5977","0.0004","90","","90","","90","","18498.7","0.9","100","2","100","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- C24 O9 Zr1.5 -","- C24 O9 Zr1.5 -","- C192 O72 Zr12 -","8","0.5","","Ortín-Rubio, Borja; Yang, Yunhui; Borrego-Marin, Emilio; Rostoll-Berenguer, Jaume; Vila, Carlos; Juanhuix, Judith; Imaz, Inhar; Navarro, Jorge A. R.; Maspoch, Daniel","Linker desymmetrisation unlocks new topologies, defective clusters, and catalytic activity in zirconium- and rare-earth metal-organic frameworks.","Chemical science","2025","16","45","21600","21613","10.1039/d5sc05365j","","","0.82653","synchrotron","","0.1046","0.084","","","0.2617","0.2848","","","","","","1.058","","","","has coordinates","303663","2025-11-29","18:41:51",""
"1576033","14.1161","0.0004","18.8518","0.0004","40.3544","0.0004","90","","90","","90","","10738.9","0.4","100","2","100","2","","","","","","","","3","P c c a","-P 2a 2ac","54","","","","- C51.43 O18.29 Zr3.43 -","- C50.2857 O18.2857 Zr3.42857 -","- C352 O128 Zr24 -","7","0.875","","Ortín-Rubio, Borja; Yang, Yunhui; Borrego-Marin, Emilio; Rostoll-Berenguer, Jaume; Vila, Carlos; Juanhuix, Judith; Imaz, Inhar; Navarro, Jorge A. R.; Maspoch, Daniel","Linker desymmetrisation unlocks new topologies, defective clusters, and catalytic activity in zirconium- and rare-earth metal-organic frameworks.","Chemical science","2025","16","45","21600","21613","10.1039/d5sc05365j","","","0.82653","synchrotron","","0.1057","0.0812","","","0.2783","0.3019","","","","","","1.117","","","","has coordinates,has disorder","303663","2025-11-29","18:41:51",""
"1576034","21.1486","0.001","34.1491","0.001","24.7133","0.0005","90","","90","","90","","17848.1","1.1","100","2","100","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C52 H22 O16 Zr3 -","- C52 H22 O16 Zr3 -","- C208 H88 O64 Zr12 -","4","0.25","","Ortín-Rubio, Borja; Yang, Yunhui; Borrego-Marin, Emilio; Rostoll-Berenguer, Jaume; Vila, Carlos; Juanhuix, Judith; Imaz, Inhar; Navarro, Jorge A. R.; Maspoch, Daniel","Linker desymmetrisation unlocks new topologies, defective clusters, and catalytic activity in zirconium- and rare-earth metal-organic frameworks.","Chemical science","2025","16","45","21600","21613","10.1039/d5sc05365j","","","0.82653","synchrotron","","0.128","0.0937","","","0.2772","0.311","","","","","","1.113","","","","has coordinates","303663","2025-11-29","18:41:51",""
"1576035","22.3625","0.0004","22.3625","0.0004","24.3563","0.0012","90","","90","","120","","10548.3","0.6","100","2","100","2","","","","","","","","4","P -6 m 2","P -6 2","187","","","","- C147 H48 O47 Y9 -","- C147 H48 O47 Y9 -","- C147 H48 O47 Y9 -","1","0.0833333","","Ortín-Rubio, Borja; Yang, Yunhui; Borrego-Marin, Emilio; Rostoll-Berenguer, Jaume; Vila, Carlos; Juanhuix, Judith; Imaz, Inhar; Navarro, Jorge A. R.; Maspoch, Daniel","Linker desymmetrisation unlocks new topologies, defective clusters, and catalytic activity in zirconium- and rare-earth metal-organic frameworks.","Chemical science","2025","16","45","21600","21613","10.1039/d5sc05365j","","","0.82653","synchrotron","","0.127","0.1224","","","0.3014","0.3105","","","","","","1.394","","","","has coordinates","303663","2025-11-29","18:41:51",""
"1576036","11.4644","0.0001","11.4644","0.0001","37.6131","0.0007","90","","90","","90","","4943.58","0.11","173","2","173","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C32 H24 N2 O2 -","- C32 H24 N2 O2 -","- C256 H192 N16 O16 -","8","1","","Zeng, Hongkun; Li, Shiyang; Ning, Lichao; Huang, Tao; Feng, Xiaoming; Lin, Lili","Sequential oxidative dearomatization/asymmetric homologation: from simple naphthols to chiral benzocycloheptanes.","Chemical science","2025","16","47","22536","22541","10.1039/d5sc05865a","","","1.54178","CuKα","","0.0261","0.0252","","","0.0647","0.0655","","","","","","1.041","","","","has coordinates,has disorder","304091","2025-12-06","22:16:52",""
"1576037","17.3955","0.0011","17.9852","0.0012","19.2333","0.0013","68.118","0.003","83.583","0.003","74.293","0.003","5374.9","0.6","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C177 H164 Cl6 N12 O12 -","- C177 H164 Cl6 N12 O12 -","- C177 H164 Cl6 N12 O12 -","1","1","","An, Tai; Yao, Jiayao; Xiao, Zuo; Yu, Qi; Wang, Yu; Gao, Yueyue; Song, Yixiao; Huang, Zuoxin; Ding, Zheng; Zhang, Xinyue; Xie, Yuanpeng; Lv, Menglan; Zuo, Chuantian; Ding, Junqiao; Ding, Liming","Chiral tether-guided selective synthesis of <i>D</i> <sub><i>n</i></sub> -symmetric chiral conjugated nanorings.","Chemical science","2025","16","45","21404","21415","10.1039/d5sc06445g","","","0.71073","MoKα","","0.1592","0.0848","","","0.2221","0.2654","","","","","","0.928","","","","has coordinates","303671","2025-11-29","18:44:46",""
"1576038","17.728","0.002","17.892","0.002","19.632","0.002","65.98","0.005","81.665","0.006","77.601","0.006","5543.6","1.1","100","","100","","","","","","","","","4","P 1","P 1","1","","","","- C84 H72 N6 O6 -","- C84 H72 N6 O6 -","- C168 H144 N12 O12 -","2","2","","An, Tai; Yao, Jiayao; Xiao, Zuo; Yu, Qi; Wang, Yu; Gao, Yueyue; Song, Yixiao; Huang, Zuoxin; Ding, Zheng; Zhang, Xinyue; Xie, Yuanpeng; Lv, Menglan; Zuo, Chuantian; Ding, Junqiao; Ding, Liming","Chiral tether-guided selective synthesis of <i>D</i> <sub><i>n</i></sub> -symmetric chiral conjugated nanorings.","Chemical science","2025","16","45","21404","21415","10.1039/d5sc06445g","","","1.34139","GaKα","","0.183","0.0897","","","0.2333","0.286","","","","","","0.917","","","","has coordinates,has disorder","303671","2025-11-29","18:44:46",""
"1576039","34.9","0.003","34.9","0.003","14.8617","0.0015","90","","90","","120","","15677","2","170","","170","","","","","","","","","4","R 3 :H","R 3","146","","","","- C80.67 H74.33 Cl8 N6 -","- C80.6663 H74.333 Cl7.9989 N6 -","- C725.997 H668.997 Cl71.9901 N54 -","9","1","","An, Tai; Yao, Jiayao; Xiao, Zuo; Yu, Qi; Wang, Yu; Gao, Yueyue; Song, Yixiao; Huang, Zuoxin; Ding, Zheng; Zhang, Xinyue; Xie, Yuanpeng; Lv, Menglan; Zuo, Chuantian; Ding, Junqiao; Ding, Liming","Chiral tether-guided selective synthesis of <i>D</i> <sub><i>n</i></sub> -symmetric chiral conjugated nanorings.","Chemical science","2025","16","45","21404","21415","10.1039/d5sc06445g","","","1.34139","GaKα","","0.103","0.0794","","","0.2107","0.2337","","","","","","1.002","","","","has coordinates,has disorder","303671","2025-11-29","18:44:46",""
"1576040","15.7945","0.0006","5.0027","0.0002","17.3264","0.0006","90","","113.066","0.004","90","","1259.6","0.09","175","5","175","5","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H26 Cl F2 N O4 -","- C30 H26 Cl F2 N O4 -","- C60 H52 Cl2 F4 N2 O8 -","2","1","","Huang, Jin-Yu; Qin, Xin-Ting; Rao, Han-Wen; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Palladium-catalysed asymmetric annulations of Morita-Baylis-Hillman carbonates with allenes or alkenes <i>via</i> migratory insertion.","Chemical science","2025","16","47","22456","22464","10.1039/d5sc06910f","","x-ray","1.54184","CuKα","","0.0458","0.039","","","0.0942","0.0984","","","","","","1.018","","","","has coordinates","304083","2025-12-06","22:14:35",""
"1576041","12.9496","0.0009","14.9981","0.001","13.2216","0.0009","90","","112.546","0.003","90","","2371.6","0.3","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[2-MeIm]2[Sr(TTA)4]","","- C40 H30 F12 N4 O8 S4 Sr -","- C40 H30 F12 N4 O8 S4 Sr -","- C80 H60 F24 N8 O16 S8 Sr2 -","2","0.5","","Huang, Jin-Yu; Qin, Xin-Ting; Rao, Han-Wen; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Palladium-catalysed asymmetric annulations of Morita-Baylis-Hillman carbonates with allenes or alkenes <i>via</i> migratory insertion.","Chemical science","2025","16","47","22456","22464","10.1039/d5sc06910f","","","0.71073","MoKα","","0.076","0.0496","","","0.1297","0.1518","","","","","","1.093","","","","has coordinates","304083","2025-12-06","22:14:35",""
"1576042","16.834","0.005","16.834","0.005","8.235","0.003","90","","90","","120","","2021","1.1","302","2","302","","","","","","","","","5","P 32","P 32","145","","","","- C30 H25 N O6 S -","- C30 H25 N O6 S -","- C90 H75 N3 O18 S3 -","3","1","","Huang, Jin-Yu; Qin, Xin-Ting; Rao, Han-Wen; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Palladium-catalysed asymmetric annulations of Morita-Baylis-Hillman carbonates with allenes or alkenes <i>via</i> migratory insertion.","Chemical science","2025","16","47","22456","22464","10.1039/d5sc06910f","","","0.71073","MoKα","","0.0795","0.0537","","","0.1122","0.1281","","","","","","1.029","","","","has coordinates,has disorder","304083","2025-12-06","22:14:35",""
"1576043","20.9949","0.0014","10.6889","0.0007","26.4893","0.0018","90","","90","","90","","5944.5","0.7","200","2","200","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H30 N2 O3 -","- C38 H30 N2 O3 -","- C304 H240 N16 O24 -","8","1","","Huang, Jin-Yu; Qin, Xin-Ting; Rao, Han-Wen; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Palladium-catalysed asymmetric annulations of Morita-Baylis-Hillman carbonates with allenes or alkenes <i>via</i> migratory insertion.","Chemical science","2025","16","47","22456","22464","10.1039/d5sc06910f","","","1.54178","CuKα","","0.0437","0.0396","","","0.1066","0.1104","","","","","","1.055","","","","has coordinates","304083","2025-12-06","22:14:35",""
"1576044","17.8476","0.0005","27.8909","0.0008","23.5021","0.0007","90","","90","","90","","11699","0.6","151","","151","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C33 H27 N3 O3 -","- C33 H27 N3 O3 -","- C528 H432 N48 O48 -","16","2","","Huang, Jin-Yu; Qin, Xin-Ting; Rao, Han-Wen; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Palladium-catalysed asymmetric annulations of Morita-Baylis-Hillman carbonates with allenes or alkenes <i>via</i> migratory insertion.","Chemical science","2025","16","47","22456","22464","10.1039/d5sc06910f","","","1.54178","CuKα","","0.039","0.0349","","","0.0892","0.092","","","","","","1.052","","","","has coordinates","304083","2025-12-06","22:14:35",""
"1576047","9.7232","0.0004","16.1728","0.0006","22.227","0.0008","74.475","0.002","80.044","0.003","80.493","0.003","3290.9","0.2","100","2","100.01","","","","","","","","","9","P -1","-P 1","2","","","","- C66.75 H55 Cl2 F12 N8 O2.75 P2 Rh S4 -","- C66.75 H55 Cl2 F12 N8 O2.75 P2 Rh S4 -","- C133.5 H110 Cl4 F24 N16 O5.5 P4 Rh2 S8 -","2","1","","Jiang, Katherine Gui-Min; Wei, Fangfang; Leung, Peter Kam-Keung; Wu, Siye; Lo, Kenneth Kam-Wing; Wong, Keith Man-Chung","Rhodamine-functionalised rhodium(iii) complexes: dual role as bioimaging agents and controllable reactive oxygen species photosensitisers for photocytotoxicity applications.","Chemical science","2025","16","46","22127","22135","10.1039/d5sc05257b","","x-ray","1.54178","CuKα","","0.0841","0.0656","","","0.1678","0.1856","","","","","","1.044","","","","has coordinates,has disorder","303650","2025-11-29","18:34:07",""
"1576048","15.2279","0.0007","16.2183","0.0007","16.6539","0.0007","89.246","0.002","75.434","0.002","87.945","0.002","3978.2","0.3","100","2","100.05","","","","","","","","","8","P -1","-P 1","2","","","","- C153.5 H137 Cl18 F24 N16 O2 P4 Rh2 -","- C153.5 H137 Cl18 F24.0002 N16 O2 P4 Rh2 -","- C153.5 H137 Cl18 F24.0002 N16 O2 P4 Rh2 -","1","0.5","","Jiang, Katherine Gui-Min; Wei, Fangfang; Leung, Peter Kam-Keung; Wu, Siye; Lo, Kenneth Kam-Wing; Wong, Keith Man-Chung","Rhodamine-functionalised rhodium(iii) complexes: dual role as bioimaging agents and controllable reactive oxygen species photosensitisers for photocytotoxicity applications.","Chemical science","2025","16","46","22127","22135","10.1039/d5sc05257b","","","0.71073","MoKα","","0.1203","0.1077","","","0.33","0.3541","","","","","","1.542","","","","has coordinates,has disorder","303650","2025-11-29","18:34:07",""
"1576049","12.9995","0.0005","13.8501","0.0005","16.0709","0.0006","82.958","0.002","86.247","0.003","74.635","0.002","2767.36","0.18","100","2","100.17","","","","","","","","","8","P -1","-P 1","2","","[Rh(dtbq)2Me2-bpy](PF6)","","- C109 H76 Cl10 F12 N12 P2 Rh2 S8 -","- C109 H76 Cl10 F12 N12 P2 Rh2 S8 -","- C109 H76 Cl10 F12 N12 P2 Rh2 S8 -","1","0.5","","Jiang, Katherine Gui-Min; Wei, Fangfang; Leung, Peter Kam-Keung; Wu, Siye; Lo, Kenneth Kam-Wing; Wong, Keith Man-Chung","Rhodamine-functionalised rhodium(iii) complexes: dual role as bioimaging agents and controllable reactive oxygen species photosensitisers for photocytotoxicity applications.","Chemical science","2025","16","46","22127","22135","10.1039/d5sc05257b","","","1.54178","CuKα","","0.0674","0.052","","","0.1333","0.1449","","","","","","1.063","","","","has coordinates,has disorder","303650","2025-11-29","18:34:07",""
"1576050","12.9852","0.0005","19.1585","0.0008","23.6184","0.0009","78.662","0.002","81.419","0.002","79.508","0.002","5625.4","0.4","100","2","100","","","","","","","","","8","P -1","-P 1","2","","[Rh(dpbq)2Me2-bpy](PF6)","","- C126.25 H97 Cl4.5 F12 N12 O P2 Rh2 -","- C126.25 H97 Cl4.5 F12 N12 O P2 Rh2 -","- C252.5 H194 Cl9 F24 N24 O2 P4 Rh4 -","2","1","","Jiang, Katherine Gui-Min; Wei, Fangfang; Leung, Peter Kam-Keung; Wu, Siye; Lo, Kenneth Kam-Wing; Wong, Keith Man-Chung","Rhodamine-functionalised rhodium(iii) complexes: dual role as bioimaging agents and controllable reactive oxygen species photosensitisers for photocytotoxicity applications.","Chemical science","2025","16","46","22127","22135","10.1039/d5sc05257b","","","1.54178","CuKα","","0.0767","0.0697","","","0.1706","0.1755","","","","","","1.085","","","","has coordinates,has disorder","303650","2025-11-29","18:34:07",""
"1576051","15.4576","0.0011","21.8026","0.0017","15.2057","0.0012","90","","90.087","0.003","90","","5124.6","0.7","273.15","","273.15","","","","","","","","synthesised","4","P 1 c 1","P -2yc","7","Meta-Meta macrocycle","Meta-Meta dimer","","- C H N O -","- C120 H116 N16 O16 -","- C240 H232 N32 O32 -","2","1","","Mohanty, Aisworika; Singh, Vijay Pal; Hussain, Ch Mudasar; Dey, Mandira; Ghosh, Debashree; Mukhopadhyay, Pritam; Dasgupta, Jyotishman","An order of magnitude modulation of singlet fission rates in NDI cyclophanes by tuning inter-chromophoric electronic coupling.","Chemical science","2025","16","45","21368","21378","10.1039/d5sc05995j","","","0.71073","MoKα","","0.2715","0.1396","","","0.2141","0.264","","","","","","1.075","","","","has coordinates","303662","2025-11-29","18:41:28",""
"1576052","8.7657","0.0012","12.0705","0.0014","12.3241","0.0014","97.382","0.005","95.436","0.005","103.911","0.004","1244.5","0.3","100","2","100","2","","","","","","","synthesised","4","P -1","-P 1","2","ortho-meta dimer","meta-meta macrocycle","","- C H N O -","- C2.4 H2.4 N0.32 O0.32 -","- C60 H60 N8 O8 -","25","12.5","","Mohanty, Aisworika; Singh, Vijay Pal; Hussain, Ch Mudasar; Dey, Mandira; Ghosh, Debashree; Mukhopadhyay, Pritam; Dasgupta, Jyotishman","An order of magnitude modulation of singlet fission rates in NDI cyclophanes by tuning inter-chromophoric electronic coupling.","Chemical science","2025","16","45","21368","21378","10.1039/d5sc05995j","","","0.71073","MoKα","","0.258","0.1955","","","0.5305","0.5732","","","","","","2.128","","","","has coordinates","303662","2025-11-29","18:41:28",""
"1576053","25.6765","0.0019","25.691","0.0019","22.0059","0.0017","90","","101.66","0.003","90","","14216.7","1.9","193","","193","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C108 H80 N16 O18 Zn7 -","- C108 H80 N16 O18 Zn7 -","- C432 H320 N64 O72 Zn28 -","4","1","","Zhu, Zhenliang; Xiao, Jianfei; Zhang, Min; Huang, Yaoqi; Yuan, Shaojun","Precision pore engineering <i>via</i> fit-topology assembly in a Zn-porphyrin MOF for selective C<sub>2</sub>H<sub>2</sub> capture.","Chemical science","2025","16","47","22638","22646","10.1039/d5sc07319g","","x-ray","1.34139","GaKα","","0.1267","0.1135","","","0.2987","0.3116","","","","","","1.079","","","","has coordinates,has disorder","304088","2025-12-06","22:16:08",""
"1576054","43.884","0.009","5.5853","0.0012","15.05","0.002","90","","92.925","0.012","90","","3684","1.2","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C43.5 H43.5 F2 N2 O5 -","- C43.5 H43.5 F2 N2 O5 -","- C174 H174 F8 N8 O20 -","4","1","","Abd El-Gaber, Mohammed K; Herrick, Ryan M.; Sudhakar, Pranaya; Rana, Ashutosh; Roach, Brent A.; Dick, Jeffrey E.; Altman, Ryan A.","Diselenide-enabled photocatalytic hydroazolation of <i>gem</i>-difluoroalkenes.","Chemical science","2025","16","47","22701","22710","10.1039/d5sc04074d","","","1.54178","CuKα","","0.0848","0.053","","","0.119","0.1338","","","","","","0.971","","","","has coordinates,has disorder","304077","2025-12-06","22:10:09",""
"1576055","5.4907","0.0003","11.8432","0.0008","25.3093","0.0016","90","","93.479","0.003","90","","1642.77","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 F2 N2 O3 -","- C18 H18 F2 N2 O3 -","- C72 H72 F8 N8 O12 -","4","1","","Abd El-Gaber, Mohammed K; Herrick, Ryan M.; Sudhakar, Pranaya; Rana, Ashutosh; Roach, Brent A.; Dick, Jeffrey E.; Altman, Ryan A.","Diselenide-enabled photocatalytic hydroazolation of <i>gem</i>-difluoroalkenes.","Chemical science","2025","16","47","22701","22710","10.1039/d5sc04074d","","","0.71073","MoKα","","0.0609","0.0422","","","0.1021","0.1125","","","","","","1.02","","","","has coordinates","304077","2025-12-06","22:10:09",""
"1576056","25.479","0.0012","5.0337","0.0002","13.4427","0.0007","90","","102.449","0.002","90","","1683.54","0.14","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","3-bromo-7-(1,1-difluoro-2-(3,4,5-trimethoxyphenyl)ethyl)-7H-pyrrolo[2,3-b]pyridine","","- C18 H17 Br F2 N2 O3 -","- C18 H17 Br F2 N2 O3 -","- C72 H68 Br4 F8 N8 O12 -","4","1","","Abd El-Gaber, Mohammed K; Herrick, Ryan M.; Sudhakar, Pranaya; Rana, Ashutosh; Roach, Brent A.; Dick, Jeffrey E.; Altman, Ryan A.","Diselenide-enabled photocatalytic hydroazolation of <i>gem</i>-difluoroalkenes.","Chemical science","2025","16","47","22701","22710","10.1039/d5sc04074d","","","0.71073","MoKα","","0.0523","0.0402","","","0.0865","0.0926","","","","","","1.089","","","","has coordinates","304077","2025-12-06","22:10:09",""
"1576057","13.662","0.005","5.521","0.002","21.611","0.007","90","","97.246","0.01","90","","1617.1","1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(1,1-difluoro-2-(3,4,5-trimethoxyphenyl)ethyl)-1H-benzo[d][1,2,3]triazole","","- C17 H17 F2 N3 O3 -","- C17 H17 F2 N3 O3 -","- C68 H68 F8 N12 O12 -","4","1","","Abd El-Gaber, Mohammed K; Herrick, Ryan M.; Sudhakar, Pranaya; Rana, Ashutosh; Roach, Brent A.; Dick, Jeffrey E.; Altman, Ryan A.","Diselenide-enabled photocatalytic hydroazolation of <i>gem</i>-difluoroalkenes.","Chemical science","2025","16","47","22701","22710","10.1039/d5sc04074d","","","0.71073","MoKα","","0.0624","0.0428","","","0.1047","0.1168","","","","","","1.045","","","","has coordinates","304077","2025-12-06","22:10:09",""
"1576058","8.3337","0.0003","8.3855","0.0003","14.3817","0.0005","78.462","0.002","74.211","0.002","63.557","0.001","862.29","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 F2 N3 O5 -","- C18 H17 F2 N3 O5 -","- C36 H34 F4 N6 O10 -","2","1","","Abd El-Gaber, Mohammed K; Herrick, Ryan M.; Sudhakar, Pranaya; Rana, Ashutosh; Roach, Brent A.; Dick, Jeffrey E.; Altman, Ryan A.","Diselenide-enabled photocatalytic hydroazolation of <i>gem</i>-difluoroalkenes.","Chemical science","2025","16","47","22701","22710","10.1039/d5sc04074d","","","0.71073","MoKα","","0.0427","0.0358","","","0.0994","0.1045","","","","","","1.034","","","","has coordinates","304077","2025-12-06","22:10:09",""
"1576059","6.7117","0.0001","12.0184","0.0001","17.045","0.0002","101.24","0.001","99.574","0.001","90.168","0.001","1328.87","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 N3 O8 S2 -","- C27 H25 N3 O8 S2 -","- C54 H50 N6 O16 S4 -","2","1","","Chen, Zijing; Wang, Wenjun; Chen, Baicheng; Chen, Si-Cong; Aoken, Aimila; Wu, Fanrui; Zeng, Guihua; Luo, Tuoping","Desulfurative modification of cysteine residues in peptides and proteins <i>via</i> the installation and photoexcitation of thieno[2,3-<i>c</i>]-pyrroles.","Chemical science","2025","16","46","22091","22100","10.1039/d5sc05199a","","x-ray","1.54184","CuKα","","0.0326","0.0317","","","0.0846","0.0852","","","","","","1.04","","","","has coordinates","303649","2025-11-29","18:33:52",""
"1576062","41.5602","0.001","41.5602","0.001","12.1635","0.0003","90","","90","","120","","18194.7","0.8","100","0.1","100","0.1","","","","","","","","3","R -3 :H","-R 3","148","","","","- C94 H82 N8 -","- C94 H82 N8 -","- C846 H738 N72 -","9","0.5","","Jiang, Tao; Zhou, Yuanbo; Ye, Tao; Liu, Shihao; Li, Ke; Zhao, Xiaohui; Sun, Zhongti; Aratani, Naoki; Yamada, Hiroko; Qiu, Fengxian; Pan, Jianming; Teranishi, Toshiharu; Xue, Songlin","Synthesis of wave-shaped Cu(ii) porphyrin arrays and their electrocatalytic hydrogen evolution activity.","Chemical science","2025","16","47","22498","22503","10.1039/d5sc07383a","","x-ray","1.54184","CuKα","","0.1124","0.0871","","","0.2229","0.2397","","","","","","1.036","","","","has coordinates,has disorder","304084","2025-12-06","22:14:54",""
"1576063","8.804","0.002","18.111","0.004","13.654","0.003","90","","105.923","0.006","90","","2093.6","0.8","293.77","","293.77","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H36 Cu2 I2 N4 O4 -","- C44 H36 Cu2 I2 N4 O4 -","- C88 H72 Cu4 I4 N8 O8 -","2","0.5","","Zhu, Yongkang; Deng, Yongjing; Li, Qianxi; Ding, Ning; Wang, Yulong; Wang, Mengzhu; Zhang, Kenneth Yin; Liu, Shujuan; Zhao, Qiang","Regulating charge transfer of copper(i) coordination compounds <i>via</i> conformation engineering for highly efficient radioluminescence and 3D X-ray imaging.","Chemical science","2025","16","47","22690","22700","10.1039/d5sc06329a","","","0.71073","MoKα","","0.0447","0.0297","","","0.0526","0.0579","","","","","","1.093","","","","has coordinates","304090","2025-12-06","22:16:38",""
"1576064","25.128","0.003","9.0436","0.001","21.557","0.002","90","","101.525","0.005","90","","4800","0.9","298.99","","298.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Cu4 I4 N4 O4 -","- C44 H36 Cu4 I4 N4 O4 -","- C176 H144 Cu16 I16 N16 O16 -","4","0.5","","Zhu, Yongkang; Deng, Yongjing; Li, Qianxi; Ding, Ning; Wang, Yulong; Wang, Mengzhu; Zhang, Kenneth Yin; Liu, Shujuan; Zhao, Qiang","Regulating charge transfer of copper(i) coordination compounds <i>via</i> conformation engineering for highly efficient radioluminescence and 3D X-ray imaging.","Chemical science","2025","16","47","22690","22700","10.1039/d5sc06329a","","","0.71073","MoKα","","0.0628","0.039","","","0.0794","0.0897","","","","","","1.019","","","","has coordinates","304090","2025-12-06","22:16:38",""
"1576065","10.993","0.002","10.993","0.002","9.771","0.002","90","","90","","90","","1180.8","0.4","292.26","","292.26","","","","","","","","","6","P -4","P -4","81","","","","- C44 H36 Cu4 I4 N4 O4 -","- C44 H36 Cu4 I4 N4 O4 -","- C44 H36 Cu4 I4 N4 O4 -","1","0.25","","Zhu, Yongkang; Deng, Yongjing; Li, Qianxi; Ding, Ning; Wang, Yulong; Wang, Mengzhu; Zhang, Kenneth Yin; Liu, Shujuan; Zhao, Qiang","Regulating charge transfer of copper(i) coordination compounds <i>via</i> conformation engineering for highly efficient radioluminescence and 3D X-ray imaging.","Chemical science","2025","16","47","22690","22700","10.1039/d5sc06329a","","","0.71073","MoKα","","0.131","0.0628","","","0.0682","0.0791","","","","","","1.131","","","","has coordinates","304090","2025-12-06","22:16:38",""
"1576066","30.202","0.003","9.5466","0.0008","23.1505","0.0017","90","","103.92","0.002","90","","6478.9","1","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C49 H100 Ge3 Si8 -","- C49 H100 Ge3 Si8 -","- C196 H400 Ge12 Si32 -","4","0.5","","Uchida, Daichi; Yamada, Hiroko; Mizuhata, Yoshiyuki","A neutral homoaromatic heavy allene as a platform for selective conversion to a germylene-coordinated digermavinylidene.","Chemical science","2025","16","47","22597","22602","10.1039/d5sc07177a","","","0.71073","MoKα","","0.0853","0.0567","","","0.1359","0.1559","","","","","","1.04","","","","has coordinates,has disorder","304081","2025-12-06","22:13:08",""
"1576067","22.649","0.004","13.124","0.002","26.722","0.004","90","","91.74","0.006","90","","7939","2","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C67 H118 Ge2 K2 Si8 -","- C67 H118 Ge2 K2 Si8 -","- C268 H472 Ge8 K8 Si32 -","4","1","","Uchida, Daichi; Yamada, Hiroko; Mizuhata, Yoshiyuki","A neutral homoaromatic heavy allene as a platform for selective conversion to a germylene-coordinated digermavinylidene.","Chemical science","2025","16","47","22597","22602","10.1039/d5sc07177a","","","0.71073","MoKα","","0.0655","0.0406","","","0.0849","0.0959","","","","","","1.027","","","","has coordinates","304081","2025-12-06","22:13:08",""
"1576068","12.6987","0.0005","16.2715","0.0006","19.6919","0.0007","93.615","0.001","97.189","0.001","109.037","0.001","3792.6","0.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H116 Ge3 N2 Si8 -","- C62 H116 Ge3 N2 Si8 -","- C124 H232 Ge6 N4 Si16 -","2","1","","Uchida, Daichi; Yamada, Hiroko; Mizuhata, Yoshiyuki","A neutral homoaromatic heavy allene as a platform for selective conversion to a germylene-coordinated digermavinylidene.","Chemical science","2025","16","47","22597","22602","10.1039/d5sc07177a","","","0.71073","MoKα","","0.0399","0.0306","","","0.0764","0.0818","","","","","","1.046","","","","has coordinates","304081","2025-12-06","22:13:08",""
"1576069","7.0199","0.0002","16.2513","0.0005","18.7458","0.0006","90","","90","","90","","2138.57","0.11","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N3 O7 S -","- C21 H23 N3 O7 S -","- C84 H92 N12 O28 S4 -","4","1","","Seyrani, Hassan; Heidarzadeh Vazifehkhorani, Hossein; Outlaw, Victor K.","Chemoselective sulfonyl fluoride exchange (SuFEx)-induced macrocyclization of tyrosine-containing peptides in aqueous media.","Chemical science","2025","16","45","21359","21367","10.1039/d5sc06993a","","","0.71073","MoKα","","0.0411","0.0335","","","0.0827","0.0908","","","","","","1.109","","","","has coordinates","303665","2025-11-29","18:42:25",""
"1576072","17.14","0.0002","16.0326","0.0002","10.655","0.0001","90","","106.661","0.001","90","","2805.06","0.06","93","","93","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 B2 F8 Fe N10 O4 -","- C24 H18 B2 F8 Fe N10 O4 -","- C96 H72 B8 F32 Fe4 N40 O16 -","4","0.5","","Fukui, Tomoya; Tsuchiya, Masahiro; Mita, Naoya; Fukushima, Takanori","Wrapping a single crystal spin-crossover complex with a single crystal non-spin-crossover complex to modulate the spin-transition temperature.","Chemical science","2025","16","47","22387","22393","10.1039/d5sc04311e","","x-ray","1.54184","CuKα","","0.0281","0.0272","","","0.0703","0.0708","","","","","","1.1","","","","has coordinates","304085","2025-12-06","22:15:11",""
"1576073","16.9753","0.0002","16.4202","0.0002","10.5304","0.0001","90","","104.619","0.001","90","","2840.19","0.06","93","2","93","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 B2 Co F8 N10 O4 -","- C24 H18 B2 Co F8 N10 O4 -","- C96 H72 B8 Co4 F32 N40 O16 -","4","0.5","","Fukui, Tomoya; Tsuchiya, Masahiro; Mita, Naoya; Fukushima, Takanori","Wrapping a single crystal spin-crossover complex with a single crystal non-spin-crossover complex to modulate the spin-transition temperature.","Chemical science","2025","16","47","22387","22393","10.1039/d5sc04311e","","x-ray","1.54184","CuKα","","0.0489","0.0479","","","0.1315","0.1326","","","","","","1.044","","","","has coordinates","304085","2025-12-06","22:15:11",""
"1576074","16.5259","0.0004","10.511","0.0003","16.4296","0.0004","90","","90","","90","","2853.88","0.13","93.15","","93.15","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C24 H18 B2 F8 N10 O4 Zn -","- C24 H18 B2 F8 N10 O4 Zn -","- C96 H72 B8 F32 N40 O16 Zn4 -","4","0.5","","Fukui, Tomoya; Tsuchiya, Masahiro; Mita, Naoya; Fukushima, Takanori","Wrapping a single crystal spin-crossover complex with a single crystal non-spin-crossover complex to modulate the spin-transition temperature.","Chemical science","2025","16","47","22387","22393","10.1039/d5sc04311e","","x-ray","1.54184","CuKα","","0.0401","0.0345","","","0.0867","0.0901","","","","","","1.039","","","","has coordinates","304085","2025-12-06","22:15:11",""
"1576075","16.9573","0.0002","16.5167","0.0002","10.5067","0.0001","90","","104.504","0.001","90","","2848.92","0.06","93","2","93","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 B2 F8 N10 O4 Zn -","- C24 H18 B2 F8 N10 O4 Zn -","- C96 H72 B8 F32 N40 O16 Zn4 -","4","0.5","","Fukui, Tomoya; Tsuchiya, Masahiro; Mita, Naoya; Fukushima, Takanori","Wrapping a single crystal spin-crossover complex with a single crystal non-spin-crossover complex to modulate the spin-transition temperature.","Chemical science","2025","16","47","22387","22393","10.1039/d5sc04311e","","x-ray","1.54184","CuKα","","0.0522","0.0503","","","0.1388","0.141","","","","","","1.052","","","","has coordinates","304085","2025-12-06","22:15:11",""
"1576076","17.3355","0.0003","16.5509","0.0002","10.6777","0.0002","90","","104.984","0.002","90","","2959.46","0.09","393.15","","393.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 B2 F8 Fe N10 O4 -","- C24 H18 B2 F8 Fe N10 O4 -","- C96 H72 B8 F32 Fe4 N40 O16 -","4","0.5","","Fukui, Tomoya; Tsuchiya, Masahiro; Mita, Naoya; Fukushima, Takanori","Wrapping a single crystal spin-crossover complex with a single crystal non-spin-crossover complex to modulate the spin-transition temperature.","Chemical science","2025","16","47","22387","22393","10.1039/d5sc04311e","","x-ray","1.54184","CuKα","","0.0552","0.0544","","","0.1606","0.1614","","","","","","1.084","","","","has coordinates","304085","2025-12-06","22:15:11",""
"1576077","16.44377","0.00006","10.53198","0.00005","16.45174","0.00007","90","","90","","90","","2849.2","0.02","93","2","93","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C24 H18 B2 Co F8 N10 O4 -","- C24 H18 B2 Co F8 N10 O4 -","- C96 H72 B8 Co4 F32 N40 O16 -","4","0.5","","Fukui, Tomoya; Tsuchiya, Masahiro; Mita, Naoya; Fukushima, Takanori","Wrapping a single crystal spin-crossover complex with a single crystal non-spin-crossover complex to modulate the spin-transition temperature.","Chemical science","2025","16","47","22387","22393","10.1039/d5sc04311e","","x-ray","1.54184","CuKα","","0.0388","0.0382","","","0.1009","0.1015","","","","","","1.068","","","","has coordinates","304085","2025-12-06","22:15:11",""
"1576081","10.261","0.004","26.202","0.009","7.141","0.002","90","","90.436","0.005","90","","1919.9","1.1","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 Cu N2 O -","- C23 H21 Cu N2 O -","- C92 H84 Cu4 N8 O4 -","4","1","","Chakraborty, Soumi; Agyekum, Kianna; Kim, Dooyoung; Teets, Thomas S.","Ligand substituents modulate excited-state lifetime and energy-transfer reactivity in Cu(i) photosensitizers supported by salicylaldimine and isocyanide ligands.","Chemical science","2025","16","47","22527","22535","10.1039/d5sc07286g","","","0.71073","MoKα","","0.035","0.0277","","","0.0692","0.0725","","","","","","1.033","","","","has coordinates","304092","2025-12-06","22:17:07",""
"1576082","9.201","0.005","14.371","0.008","17.738","0.01","84.919","0.006","89.323","0.006","73.694","0.006","2242","2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H17 Cu F6 N2 O -","- C24 H17 Cu F6 N2 O -","- C96 H68 Cu4 F24 N8 O4 -","4","2","","Chakraborty, Soumi; Agyekum, Kianna; Kim, Dooyoung; Teets, Thomas S.","Ligand substituents modulate excited-state lifetime and energy-transfer reactivity in Cu(i) photosensitizers supported by salicylaldimine and isocyanide ligands.","Chemical science","2025","16","47","22527","22535","10.1039/d5sc07286g","","","0.71073","MoKα","","0.0578","0.0398","","","0.1038","0.1151","","","","","","1.041","","","","has coordinates","304092","2025-12-06","22:17:07",""
"1576083","11.7921","0.0009","13.694","0.0011","26.008","0.002","90","","100.426","0.004","90","","4130.5","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H57 Cu N2 O -","- C49 H57 Cu N2 O -","- C196 H228 Cu4 N8 O4 -","4","1","","Chakraborty, Soumi; Agyekum, Kianna; Kim, Dooyoung; Teets, Thomas S.","Ligand substituents modulate excited-state lifetime and energy-transfer reactivity in Cu(i) photosensitizers supported by salicylaldimine and isocyanide ligands.","Chemical science","2025","16","47","22527","22535","10.1039/d5sc07286g","","","1.54178","CuKα","","0.0353","0.0334","","","0.0929","0.0946","","","","","","1.031","","","","has coordinates","304092","2025-12-06","22:17:07",""
"1576084","10.39","0.009","10.781","0.009","12.163","0.011","64.965","0.009","87.971","0.01","66.385","0.009","1116.2","1.7","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H25 Cu N2 O -","- C25 H25 Cu N2 O -","- C50 H50 Cu2 N4 O2 -","2","1","","Chakraborty, Soumi; Agyekum, Kianna; Kim, Dooyoung; Teets, Thomas S.","Ligand substituents modulate excited-state lifetime and energy-transfer reactivity in Cu(i) photosensitizers supported by salicylaldimine and isocyanide ligands.","Chemical science","2025","16","47","22527","22535","10.1039/d5sc07286g","","","0.71073","MoKα","","0.0576","0.0384","","","0.0787","0.0857","","","","","","1.022","","","","has coordinates","304092","2025-12-06","22:17:07",""
"1576085","9.466","0.003","11.606","0.003","13.062","0.004","93.187","0.003","92.645","0.003","110.455","0.002","1339.2","0.7","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H27 Cu N2 O -","- C34 H27 Cu N2 O -","- C68 H54 Cu2 N4 O2 -","2","1","","Chakraborty, Soumi; Agyekum, Kianna; Kim, Dooyoung; Teets, Thomas S.","Ligand substituents modulate excited-state lifetime and energy-transfer reactivity in Cu(i) photosensitizers supported by salicylaldimine and isocyanide ligands.","Chemical science","2025","16","47","22527","22535","10.1039/d5sc07286g","","","0.71073","MoKα","","0.0464","0.0406","","","0.0977","0.1007","","","","","","1.082","","","","has coordinates,has disorder","304092","2025-12-06","22:17:07",""
"1576086","12.6043","0.0009","18.9057","0.0012","19.293","0.0013","90","","90","","90","","4597.4","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H29 Cu N2 O -","- C27 H29 Cu N2 O -","- C216 H232 Cu8 N16 O8 -","8","1","","Chakraborty, Soumi; Agyekum, Kianna; Kim, Dooyoung; Teets, Thomas S.","Ligand substituents modulate excited-state lifetime and energy-transfer reactivity in Cu(i) photosensitizers supported by salicylaldimine and isocyanide ligands.","Chemical science","2025","16","47","22527","22535","10.1039/d5sc07286g","","","1.54184","CuKα","","0.0309","0.0302","","","0.0828","0.0832","","","","","","1.05","","","","has coordinates","304092","2025-12-06","22:17:07",""
"1576089","11.6848","0.0014","18.141","0.002","22.734","0.003","84.532","0.005","82.784","0.004","77.108","0.004","4649","1","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C87 H50 Dy F27 N2 O6 S6 -","- C87 H50 Dy F26.997 N2 O6 S6 -","- C174 H100 Dy2 F53.994 N4 O12 S12 -","2","1","","Phan, Tuan-Anh; Gendron, Frédéric; Kiraev, Salauat; Galangau, Olivier; Fréroux, Yoann; Al Sabea, Hassan; Mittelheisser, Cédric; Dallon, Marie; Bouchet, Aude; Riobé, François; Métivier, Remi; Sliwa, Michel; Le Guennic, Boris; Maury, Olivier; Banyasz, Akos; Marekha, Bogdan; Norel, Lucie; Rigaut, Stéphane","From erbium(iii) to samarium(iii): generalized photomodulation of NIR to red lanthanide luminescence with a DTE ligand and its versatile role in the quenching processes.","Chemical science","2025","16","47","22504","22516","10.1039/d5sc07174g","","x-ray","0.71073","MoKα","","0.0947","0.0786","","","0.1976","0.2111","","","","","","1.06","","","","has coordinates,has disorder","304086","2025-12-06","22:15:30",""
"1576095","11.5612","0.0003","12.6489","0.0003","14.3413","0.0004","88.807","0.002","69.449","0.002","76.892","0.002","1908.61","0.09","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C42 H47 Cl2 N O P V -","- C42 H47 Cl2 N O P V -","- C84 H94 Cl4 N2 O2 P2 V2 -","2","1","","Li, Biao; Ding, Yingli; Gao, Huan; Pan, Li; Li, Yuesheng","Thermally stable vanadium(v) complexes bearing bidentate phenoxy-phosphine ligands: synthesis, characterization, and catalytic properties for alkene polymerization","Polymer Chemistry","2025","16","45","4889","4898","10.1039/D5PY00730E","","x-ray","1.54184","CuKα","","0.0316","0.0312","","","0.0879","0.0882","","","","","","1.091","","","","has coordinates","303970","2025-11-29","22:18:19",""
"1576096","13.1205","0.0002","13.2561","0.0003","15.58115","0.0002","84.0364","0.0014","89.5297","0.0012","65.93","0.002","2459.21","0.08","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C44 H49 Cl2 N O P V -","- C44 H49 Cl2 N O P V -","- C88 H98 Cl4 N2 O2 P2 V2 -","2","1","","Li, Biao; Ding, Yingli; Gao, Huan; Pan, Li; Li, Yuesheng","Thermally stable vanadium(v) complexes bearing bidentate phenoxy-phosphine ligands: synthesis, characterization, and catalytic properties for alkene polymerization","Polymer Chemistry","2025","16","45","4889","4898","10.1039/D5PY00730E","","x-ray","1.54184","CuKα","","0.0365","0.0354","","","0.095","0.0958","","","","","","1.054","","","","has coordinates","303970","2025-11-29","22:18:19",""
"1576097","25.5327","0.0004","12.96804","0.00016","26.1924","0.0004","90","","111.728","0.0018","90","","8056.4","0.2","100.3","0.7","100.3","0.7","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C45 H47 Cl2 N O P V -","- C45 H47 Cl2 N O P V -","- C360 H376 Cl16 N8 O8 P8 V8 -","8","1","","Li, Biao; Ding, Yingli; Gao, Huan; Pan, Li; Li, Yuesheng","Thermally stable vanadium(v) complexes bearing bidentate phenoxy-phosphine ligands: synthesis, characterization, and catalytic properties for alkene polymerization","Polymer Chemistry","2025","16","45","4889","4898","10.1039/D5PY00730E","","x-ray","1.54184","CuKα","","0.0529","0.0427","","","0.1149","0.1261","","","","","","1.093","","","","has coordinates","303970","2025-11-29","22:18:19",""
"1576101","14.995","0.003","15.093","0.003","19.626","0.003","78.515","0.005","89.878","0.006","85.166","0.005","4336.8","1.4","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C91 H123 Cl3 O4 Si4 -","- C90 H122 O4 Si4 -","- C180 H244 O8 Si8 -","2","1","","Nishijima, Tomohiko; Takahata, Kazuki; Goseki, Raita; Homma, Chihiro; Kuwata, Shigeki; Ishizone, Takashi","One-pot synthesis of sequence-controlled macromonomers <i>via</i> living anionic addition reaction and subsequent acyclic diene metathesis polymerization.","Chemical science","2025","16","46","21791","21796","10.1039/d5sc05910k","","","0.71075","MoKα","","0.1579","0.1202","","","0.3337","0.3741","","","","","","1.092","","","","has coordinates,has disorder","303647","2025-11-29","18:33:23",""
"1576102","18.87381","0.00018","20.98788","0.00015","21.87668","0.00018","90","","90","","90","","8665.82","0.13","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48.61 H38.44 Cu F6 N2 O1.61 P3 -","- C48.609 H38.436 Cu F6 N2 O1.609 P3 -","- C388.872 H307.488 Cu8 F48 N16 O12.872 P24 -","8","2","","Karimata, Ayumu; Ilatovskii, Daniil; Fayzullin, Robert R.; Komoto, Shinya; Bruhacs, Andrew; Khaskin, Eugene; Khusnutdinova, Julia R.","Mechanoluminescence from amorphous solids of heteroleptic copper complexes and common luminophores induced by non-destructive mechanical stimuli and fabrication of flexible mechanoluminescent films.","Chemical science","2025","16","47","22376","22386","10.1039/d5sc05673j","","x-ray","1.54184","CuKα","","0.0603","0.055","","","0.1455","0.1502","","","","","","1.031","","","","has coordinates","304079","2025-12-06","22:11:19",""
"1576103","11.4215","0.0002","14.9356","0.0003","25.5769","0.0005","90","","95.8728","0.0017","90","","4340.19","0.14","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C48.5 H38 B Cl Cu F4 N3 O P2 -","- C48.5 H38 B Cl Cu F4 N3 O P2 -","- C194 H152 B4 Cl4 Cu4 F16 N12 O4 P8 -","4","1","","Karimata, Ayumu; Ilatovskii, Daniil; Fayzullin, Robert R.; Komoto, Shinya; Bruhacs, Andrew; Khaskin, Eugene; Khusnutdinova, Julia R.","Mechanoluminescence from amorphous solids of heteroleptic copper complexes and common luminophores induced by non-destructive mechanical stimuli and fabrication of flexible mechanoluminescent films.","Chemical science","2025","16","47","22376","22386","10.1039/d5sc05673j","","x-ray","0.71073","MoKα","","0.0534","0.0397","","","0.0945","0.0995","","","","","","1.027","","","","has coordinates,has disorder","304079","2025-12-06","22:11:19",""
"1576104","9.48933","0.00012","12.40123","0.00019","19.1265","0.0003","86.5801","0.0013","78.8653","0.0012","72.8985","0.0012","2110.77","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H38 Cl2 Cu N3 O P2 -","- C49 H38 Cl2 Cu N3 O P2 -","- C98 H76 Cl4 Cu2 N6 O2 P4 -","2","1","","Karimata, Ayumu; Ilatovskii, Daniil; Fayzullin, Robert R.; Komoto, Shinya; Bruhacs, Andrew; Khaskin, Eugene; Khusnutdinova, Julia R.","Mechanoluminescence from amorphous solids of heteroleptic copper complexes and common luminophores induced by non-destructive mechanical stimuli and fabrication of flexible mechanoluminescent films.","Chemical science","2025","16","47","22376","22386","10.1039/d5sc05673j","","x-ray","0.71073","MoKα","","0.0566","0.0464","","","0.1304","0.1359","","","","","","1.038","","","","has coordinates","304079","2025-12-06","22:11:19",""
"1576105","10.6436","0.0003","19.9659","0.0007","20.2453","0.0006","103.151","0.003","90.526","0.004","90.257","0.003","4189.2","0.2","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C47.5 H34 Cl Cu F6 N2 O P2 -","- C47.5 H34 Cl Cu F6 N2 O P2 -","- C190 H136 Cl4 Cu4 F24 N8 O4 P8 -","4","4","","Karimata, Ayumu; Ilatovskii, Daniil; Fayzullin, Robert R.; Komoto, Shinya; Bruhacs, Andrew; Khaskin, Eugene; Khusnutdinova, Julia R.","Mechanoluminescence from amorphous solids of heteroleptic copper complexes and common luminophores induced by non-destructive mechanical stimuli and fabrication of flexible mechanoluminescent films.","Chemical science","2025","16","47","22376","22386","10.1039/d5sc05673j","","x-ray","1.54184","CuKα","","0.0401","0.0381","","","0.1143","0.1234","","","","","","1.039","","","","has coordinates","304079","2025-12-06","22:11:19",""
"1576106","22.6939","0.0003","12.92708","0.00016","29.8774","0.0004","90","","90.1326","0.0011","90","","8765","0.2","100","2","100","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C48 H35 Cl2 Cu F6 N2 O P2 -","- C48 H35 Cl2 Cu F6 N2 O P2 -","- C384 H280 Cl16 Cu8 F48 N16 O8 P16 -","8","1","","Karimata, Ayumu; Ilatovskii, Daniil; Fayzullin, Robert R.; Komoto, Shinya; Bruhacs, Andrew; Khaskin, Eugene; Khusnutdinova, Julia R.","Mechanoluminescence from amorphous solids of heteroleptic copper complexes and common luminophores induced by non-destructive mechanical stimuli and fabrication of flexible mechanoluminescent films.","Chemical science","2025","16","47","22376","22386","10.1039/d5sc05673j","","x-ray","0.71073","MoKα","","0.0529","0.0442","","","0.125","0.1305","","","","","","1.053","","","","has coordinates,has disorder","304079","2025-12-06","22:11:19",""
"1576107","10.90096","0.00012","12.11864","0.00013","18.7704","0.0002","105.703","0.0009","95.5373","0.0009","105.463","0.001","2262.38","0.05","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C52 H43 Cu F6 N3 O P3 -","- C52 H43 Cu F6 N3 O P3 -","- C104 H86 Cu2 F12 N6 O2 P6 -","2","2","","Karimata, Ayumu; Ilatovskii, Daniil; Fayzullin, Robert R.; Komoto, Shinya; Bruhacs, Andrew; Khaskin, Eugene; Khusnutdinova, Julia R.","Mechanoluminescence from amorphous solids of heteroleptic copper complexes and common luminophores induced by non-destructive mechanical stimuli and fabrication of flexible mechanoluminescent films.","Chemical science","2025","16","47","22376","22386","10.1039/d5sc05673j","","x-ray","1.54184","CuKα","","0.0618","0.0617","","","0.17","0.1702","","","","","","1.019","","","","has coordinates","304079","2025-12-06","22:11:19",""
"1576108","10.7843","0.0002","14.4377","0.0003","28.923","0.0007","90","","98.4107","0.0019","90","","4454.89","0.17","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H43 B Cu F4 N3 O P2 -","- C52 H43 B Cu F4 N3 O P2 -","- C208 H172 B4 Cu4 F16 N12 O4 P8 -","4","1","","Karimata, Ayumu; Ilatovskii, Daniil; Fayzullin, Robert R.; Komoto, Shinya; Bruhacs, Andrew; Khaskin, Eugene; Khusnutdinova, Julia R.","Mechanoluminescence from amorphous solids of heteroleptic copper complexes and common luminophores induced by non-destructive mechanical stimuli and fabrication of flexible mechanoluminescent films.","Chemical science","2025","16","47","22376","22386","10.1039/d5sc05673j","","x-ray","0.71073","MoKα","","0.0367","0.0307","","","0.0763","0.0782","","","","","","1.043","","","","has coordinates","304079","2025-12-06","22:11:19",""
"1576109","11.49247","0.00016","14.4077","0.0002","32.1564","0.0005","90","","93.1745","0.0012","90","","5316.29","0.13","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C53 H42 Cl6 Cu F3 N2 O4 P2 S -","- C52.999 H41.999 Cl5.997 Cu F3 N2 O4 P2 S -","- C211.996 H167.996 Cl23.988 Cu4 F12 N8 O16 P8 S4 -","4","1","","Karimata, Ayumu; Ilatovskii, Daniil; Fayzullin, Robert R.; Komoto, Shinya; Bruhacs, Andrew; Khaskin, Eugene; Khusnutdinova, Julia R.","Mechanoluminescence from amorphous solids of heteroleptic copper complexes and common luminophores induced by non-destructive mechanical stimuli and fabrication of flexible mechanoluminescent films.","Chemical science","2025","16","47","22376","22386","10.1039/d5sc05673j","","x-ray","0.71073","MoKα","","0.0672","0.0534","","","0.1173","0.1231","","","","","","1.054","","","","has coordinates,has disorder","304079","2025-12-06","22:11:19",""
"1576110","10.67","0.00013","12.30491","0.00015","18.117","0.0002","96.1964","0.001","103.408","0.001","103.572","0.0011","2215.8","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H37 Cu F3 N3 O2 P2 -","- C46 H37 Cu F3 N3 O2 P2 -","- C92 H74 Cu2 F6 N6 O4 P4 -","2","1","","Karimata, Ayumu; Ilatovskii, Daniil; Fayzullin, Robert R.; Komoto, Shinya; Bruhacs, Andrew; Khaskin, Eugene; Khusnutdinova, Julia R.","Mechanoluminescence from amorphous solids of heteroleptic copper complexes and common luminophores induced by non-destructive mechanical stimuli and fabrication of flexible mechanoluminescent films.","Chemical science","2025","16","47","22376","22386","10.1039/d5sc05673j","","x-ray","0.71073","MoKα","","0.048","0.0361","","","0.0916","0.0964","","","","","","1.02","","","","has coordinates,has disorder","304079","2025-12-06","22:11:19",""
"1576111","10.1704","0.001","13.3855","0.0013","14.4409","0.0014","97.369","0.005","105.709","0.005","97.202","0.005","1850.3","0.3","150.15","","150.15","","","","","","","","","4","P 1","P 1","1","","","","- C24 H32 B4 Hf -","- C24 H32 B4 Hf -","- C72 H96 B12 Hf3 -","3","3","","Hansen, Hannah M.; Zgrabik, Joshua C.; Zacher, 3rd, Peter A; Schuely, Jacob J.; Amano, Emily M.; Yang, Mai Yer; Unruh, Daniel K.; Zuin, Lucia; Keith, Jason M.; Daly, Scott R.","Direct measurement of covalent three-center, two-electron M-H-B bonding in Zr and Hf borohydrides using B K-edge XAS.","Chemical science","2025","16","47","22333","22347","10.1039/d5sc06254c","","","0.71073","MoKα","","0.0231","0.0216","","","0.044","0.0446","","","","","","1.044","","","","has coordinates","304080","2025-12-06","22:12:25",""
"1576112","15.3985","0.0005","5.8044","0.0002","30.8545","0.0009","90","","101.007","0.001","90","","2707.01","0.15","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 B4 Zr -","- C28 H40 B4 Zr -","- C112 H160 B16 Zr4 -","4","1","","Hansen, Hannah M.; Zgrabik, Joshua C.; Zacher, 3rd, Peter A; Schuely, Jacob J.; Amano, Emily M.; Yang, Mai Yer; Unruh, Daniel K.; Zuin, Lucia; Keith, Jason M.; Daly, Scott R.","Direct measurement of covalent three-center, two-electron M-H-B bonding in Zr and Hf borohydrides using B K-edge XAS.","Chemical science","2025","16","47","22333","22347","10.1039/d5sc06254c","","","0.71073","MoKα","","0.0494","0.0353","","","0.0753","0.0807","","","","","","1.041","","","","has coordinates","304080","2025-12-06","22:12:25",""
"1576113","5.6539","0.0004","14.0343","0.0009","17.6063","0.0009","100.023","0.002","93.296","0.002","99.554","0.002","1351.25","0.15","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H40 B4 Hf -","- C28 H40 B4 Hf -","- C56 H80 B8 Hf2 -","2","1","","Hansen, Hannah M.; Zgrabik, Joshua C.; Zacher, 3rd, Peter A; Schuely, Jacob J.; Amano, Emily M.; Yang, Mai Yer; Unruh, Daniel K.; Zuin, Lucia; Keith, Jason M.; Daly, Scott R.","Direct measurement of covalent three-center, two-electron M-H-B bonding in Zr and Hf borohydrides using B K-edge XAS.","Chemical science","2025","16","47","22333","22347","10.1039/d5sc06254c","","","0.71073","MoKα","","0.0211","0.0193","","","0.0439","0.045","","","","","","1.031","","","","has coordinates","304080","2025-12-06","22:12:25",""
"1576114","11.4273","0.0006","14.7865","0.0006","16.3784","0.0008","111.604","0.001","91.319","0.002","106.821","0.002","2436.7","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C63 H56 B4 Hf -","- C63 H56 B4 Hf -","- C126 H112 B8 Hf2 -","2","1","","Hansen, Hannah M.; Zgrabik, Joshua C.; Zacher, 3rd, Peter A; Schuely, Jacob J.; Amano, Emily M.; Yang, Mai Yer; Unruh, Daniel K.; Zuin, Lucia; Keith, Jason M.; Daly, Scott R.","Direct measurement of covalent three-center, two-electron M-H-B bonding in Zr and Hf borohydrides using B K-edge XAS.","Chemical science","2025","16","47","22333","22347","10.1039/d5sc06254c","","","0.71073","MoKα","","0.0317","0.0263","","","0.0579","0.0602","","","","","","1.098","","","","has coordinates","304080","2025-12-06","22:12:25",""
"1576115","10.1671","0.001","13.3719","0.0013","14.4875","0.0013","97.458","0.005","105.662","0.005","97.063","0.005","1854.5","0.3","150.15","","150.15","","","","","","","","","4","P 1","P 1","1","","","","- C24 H32 B4 Zr -","- C24 H32 B4 Zr -","- C72 H96 B12 Zr3 -","3","3","","Hansen, Hannah M.; Zgrabik, Joshua C.; Zacher, 3rd, Peter A; Schuely, Jacob J.; Amano, Emily M.; Yang, Mai Yer; Unruh, Daniel K.; Zuin, Lucia; Keith, Jason M.; Daly, Scott R.","Direct measurement of covalent three-center, two-electron M-H-B bonding in Zr and Hf borohydrides using B K-edge XAS.","Chemical science","2025","16","47","22333","22347","10.1039/d5sc06254c","","","0.71073","MoKα","","0.0269","0.0251","","","0.0581","0.0599","","","","","","1.035","","","","has coordinates","304080","2025-12-06","22:12:25",""
"1576116","11.4439","0.0005","14.8148","0.0006","16.3854","0.0005","111.293","0.001","91.346","0.001","107.027","0.001","2448.46","0.17","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C63 H56 B4 Zr -","- C63 H56 B4 Zr -","- C126 H112 B8 Zr2 -","2","1","","Hansen, Hannah M.; Zgrabik, Joshua C.; Zacher, 3rd, Peter A; Schuely, Jacob J.; Amano, Emily M.; Yang, Mai Yer; Unruh, Daniel K.; Zuin, Lucia; Keith, Jason M.; Daly, Scott R.","Direct measurement of covalent three-center, two-electron M-H-B bonding in Zr and Hf borohydrides using B K-edge XAS.","Chemical science","2025","16","47","22333","22347","10.1039/d5sc06254c","","","0.71073","MoKα","","0.0548","0.0395","","","0.0906","0.0985","","","","","","1.043","","","","has coordinates,has disorder","304080","2025-12-06","22:12:25",""
"1576117","27.2122","0.0013","20.4002","0.0011","25.5853","0.0016","90","","121.975","0.001","90","","12048.3","1.2","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C60 H104 B4 Hf -","- C60 H104 B4 Hf -","- C480 H832 B32 Hf8 -","8","2","","Hansen, Hannah M.; Zgrabik, Joshua C.; Zacher, 3rd, Peter A; Schuely, Jacob J.; Amano, Emily M.; Yang, Mai Yer; Unruh, Daniel K.; Zuin, Lucia; Keith, Jason M.; Daly, Scott R.","Direct measurement of covalent three-center, two-electron M-H-B bonding in Zr and Hf borohydrides using B K-edge XAS.","Chemical science","2025","16","47","22333","22347","10.1039/d5sc06254c","","","0.71073","MoKα","","0.0331","0.0298","","","0.0604","0.0617","","","","","","1.031","","","","has coordinates,has disorder","304080","2025-12-06","22:12:25",""
"1576120","10.1234","0.0001","10.901","0.0001","51.131","0.0003","90","","90","","90","","5642.57","0.08","119.99","0.1","119.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 Br N P Pd -","- C28 H37 Br N P Pd -","- C224 H296 Br8 N8 P8 Pd8 -","8","2","","Zhang, Cheng; Leforestier, Baptiste; Besnard, Céline; Mazet, Clément","Pd-catalyzed regiodivergent arylation of cyclic allylboronates.","Chemical science","2025","16","47","22656","22665","10.1039/d5sc07577g","","x-ray","1.54184","CuKα","","0.0416","0.0415","","","0.1099","0.11","","","","","","1.102","","","","has coordinates","304087","2025-12-06","22:15:54",""
"1576121","19.2654","0.0001","15.4089","0.0001","18.5647","0.0001","90","","99.003","0.001","90","","5443.2","0.06","120","0.11","120.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H80 Br2 N2 O3 P2 Pd2 -","- C50 H80 Br2 N2 O3 P2 Pd2 -","- C200 H320 Br8 N8 O12 P8 Pd8 -","4","1","","Zhang, Cheng; Leforestier, Baptiste; Besnard, Céline; Mazet, Clément","Pd-catalyzed regiodivergent arylation of cyclic allylboronates.","Chemical science","2025","16","47","22656","22665","10.1039/d5sc07577g","","","1.54184","CuKα","","0.0363","0.0353","","","0.1022","0.1031","","","","","","1.079","","","","has coordinates","304087","2025-12-06","22:15:54",""
"1576122","9.1635","0.0006","15.4314","0.0011","18.7645","0.0013","90","","99.482","0.006","90","","2617.2","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H42 Fe O2 P4 -","- C22 H42 Fe O2 P4 -","- C88 H168 Fe4 O8 P16 -","4","1","","Cockcroft, Joseph H. P.; Flook, Annabel; Boaler, Patrick J.; Nichol, Gary S.; Holt, Jarle; Smit, Joost; Garden, Jennifer A.; Thomas, Stephen P.","Molecular-level insight into the multiple mechanistic pathways in iron-catalysed alkene dimerisation.","Chemical science","2025","16","47","22394","22406","10.1039/d5sc07490h","","x-ray","1.54184","CuKα","","0.0822","0.0762","","","0.1989","0.2024","","","","","","1.145","","","","has coordinates","304082","2025-12-06","22:13:57",""
"1576123","14.5261","0.0004","8.9654","0.0003","17.424","0.0005","90","","90.007","0.002","90","","2269.17","0.12","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H38 Fe O2 P4 -","- C16 H38 Fe O2 P4 -","- C64 H152 Fe4 O8 P16 -","4","1","","Cockcroft, Joseph H. P.; Flook, Annabel; Boaler, Patrick J.; Nichol, Gary S.; Holt, Jarle; Smit, Joost; Garden, Jennifer A.; Thomas, Stephen P.","Molecular-level insight into the multiple mechanistic pathways in iron-catalysed alkene dimerisation.","Chemical science","2025","16","47","22394","22406","10.1039/d5sc07490h","","","0.71073","MoKα","","0.0384","0.0359","","","0.0949","0.0974","","","","","","1.093","","","","has coordinates,has disorder","304082","2025-12-06","22:13:57",""
"1576124","11.0746","0.0009","20.0081","0.0017","22.2287","0.0019","88.129","0.003","86.55","0.003","87.443","0.003","4909.4","0.7","100.1","","100.1","","","","","","","","","4","P -1","-P 1","2","","","","- C116.5 H126 Fe2 P8 -","- C116.5 H126 Fe2 P8 -","- C233 H252 Fe4 P16 -","2","1","","Cockcroft, Joseph H. P.; Flook, Annabel; Boaler, Patrick J.; Nichol, Gary S.; Holt, Jarle; Smit, Joost; Garden, Jennifer A.; Thomas, Stephen P.","Molecular-level insight into the multiple mechanistic pathways in iron-catalysed alkene dimerisation.","Chemical science","2025","16","47","22394","22406","10.1039/d5sc07490h","","","0.71073","MoKα","","0.0358","0.03","","","0.0783","0.082","","","","","","1.033","","","","has coordinates,has disorder","304082","2025-12-06","22:13:57",""
"1576125","16.3811","0.0004","13.8289","0.0003","19.7524","0.0005","90","","90.48","0.002","90","","4474.41","0.18","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H80 Fe2 P10 -","- C30 H80 Fe2 P10 -","- C120 H320 Fe8 P40 -","4","1","","Cockcroft, Joseph H. P.; Flook, Annabel; Boaler, Patrick J.; Nichol, Gary S.; Holt, Jarle; Smit, Joost; Garden, Jennifer A.; Thomas, Stephen P.","Molecular-level insight into the multiple mechanistic pathways in iron-catalysed alkene dimerisation.","Chemical science","2025","16","47","22394","22406","10.1039/d5sc07490h","","x-ray","0.71073","MoKα","","0.1019","0.0816","","","0.199","0.2123","","","","","","1.074","","","","has coordinates,has disorder","304082","2025-12-06","22:13:57",""
"1576126","9.1847","0.0001","20.602","0.0003","14.6513","0.0003","90","","92.907","0.002","90","","2768.8","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H46 Fe O4 P4 -","- C21 H46 Fe O4 P4 -","- C84 H184 Fe4 O16 P16 -","4","1","","Cockcroft, Joseph H. P.; Flook, Annabel; Boaler, Patrick J.; Nichol, Gary S.; Holt, Jarle; Smit, Joost; Garden, Jennifer A.; Thomas, Stephen P.","Molecular-level insight into the multiple mechanistic pathways in iron-catalysed alkene dimerisation.","Chemical science","2025","16","47","22394","22406","10.1039/d5sc07490h","","x-ray","0.71073","MoKα","","0.0664","0.0467","","","0.0975","0.1032","","","","","","1.141","","","","has coordinates,has disorder","304082","2025-12-06","22:13:57",""
"1576127","16.86988","0.00018","15.39782","0.00016","17.24096","0.00019","90","","90","","90","","4478.5","0.08","120","0.1","120","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H40 Fe O2 P4 -","- C17 H40 Fe O2 P4 -","- C136 H320 Fe8 O16 P32 -","8","1","","Cockcroft, Joseph H. P.; Flook, Annabel; Boaler, Patrick J.; Nichol, Gary S.; Holt, Jarle; Smit, Joost; Garden, Jennifer A.; Thomas, Stephen P.","Molecular-level insight into the multiple mechanistic pathways in iron-catalysed alkene dimerisation.","Chemical science","2025","16","47","22394","22406","10.1039/d5sc07490h","","x-ray","1.54184","CuKα","","0.0331","0.028","","","0.0713","0.0749","","","","","","1.0802","","","","has coordinates","304082","2025-12-06","22:13:57",""
"1576174","16.357","0.01","15.629","0.009","18.879","0.011","90","","91.176","0.011","90","","4825","5","233","2","233","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H71 B2 Li O4 -","- C52 H71 B2 Li O4 -","- C208 H284 B8 Li4 O16 -","4","0.5","","Mao, Xiaofeng; Zhang, Jie; Xie, Zuowei","Regioselective C(sp<sup>3</sup>)-H borylation <i>via</i> a diarylboryl anion surrogate in sp<sup>2</sup>-sp<sup>3</sup> diboranes(5).","Chemical science","2025","16","47","22314","22321","10.1039/d5sc07180a","","","0.71073","MoKα","","0.1154","0.096","","","0.2331","0.249","","","","","","1.068","","","","has coordinates,has disorder","304078","2025-12-06","22:10:43",""
"1576175","7.4036","0.0008","17.71","0.002","11.1892","0.0012","90","","104.827","0.003","90","","1418.3","0.3","297","2","297","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C32 H37 B2 Li O -","- C32 H37 B2 Li O -","- C64 H74 B4 Li2 O2 -","2","0.5","","Mao, Xiaofeng; Zhang, Jie; Xie, Zuowei","Regioselective C(sp<sup>3</sup>)-H borylation <i>via</i> a diarylboryl anion surrogate in sp<sup>2</sup>-sp<sup>3</sup> diboranes(5).","Chemical science","2025","16","47","22314","22321","10.1039/d5sc07180a","","","0.71073","MoKα","","0.1153","0.0943","","","0.2557","0.2767","","","","","","1.052","","","","has coordinates","304078","2025-12-06","22:10:43",""
"1576176","11.279","0.0006","14.9402","0.0008","27.9641","0.0015","90","","101.434","0.002","90","","4618.7","0.4","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H71 B2 Li O4 Si -","- C48 H71 B2 Li O4 Si -","- C192 H284 B8 Li4 O16 Si4 -","4","1","","Mao, Xiaofeng; Zhang, Jie; Xie, Zuowei","Regioselective C(sp<sup>3</sup>)-H borylation <i>via</i> a diarylboryl anion surrogate in sp<sup>2</sup>-sp<sup>3</sup> diboranes(5).","Chemical science","2025","16","47","22314","22321","10.1039/d5sc07180a","","x-ray","1.34138","GaKα","","0.0478","0.0367","","","0.0967","0.1013","","","","","","1.057","","","","has coordinates","304078","2025-12-06","22:10:43",""
"1576177","12.8532","0.0005","14.2497","0.0005","18.1037","0.0007","92.72","0.001","109.562","0.001","93.879","0.001","3108.5","0.2","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H39 B2 K O0.5 -","- C37 H39 B2 K O0.5 -","- C148 H156 B8 K4 O2 -","4","2","","Mao, Xiaofeng; Zhang, Jie; Xie, Zuowei","Regioselective C(sp<sup>3</sup>)-H borylation <i>via</i> a diarylboryl anion surrogate in sp<sup>2</sup>-sp<sup>3</sup> diboranes(5).","Chemical science","2025","16","47","22314","22321","10.1039/d5sc07180a","","x-ray","1.34138","GaKα","","0.0528","0.0434","","","0.1203","0.1247","","","","","","1.054","","","","has coordinates,has disorder","304078","2025-12-06","22:10:43",""
"1576178","8.224","0.004","15.74","0.008","12.282","0.006","90","","102.199","0.016","90","","1554","1.3","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C35 H43 B2 Li O -","- C35 H43 B2 Li O -","- C70 H86 B4 Li2 O2 -","2","0.5","","Mao, Xiaofeng; Zhang, Jie; Xie, Zuowei","Regioselective C(sp<sup>3</sup>)-H borylation <i>via</i> a diarylboryl anion surrogate in sp<sup>2</sup>-sp<sup>3</sup> diboranes(5).","Chemical science","2025","16","47","22314","22321","10.1039/d5sc07180a","","","0.71073","MoKα","","0.1127","0.0849","","","0.2282","0.253","","","","","","1.068","","","","has coordinates","304078","2025-12-06","22:10:43",""
"1576179","23.9471","0.0007","15.2701","0.0005","10.1658","0.0003","90","","90","","90","","3717.4","0.2","297","2","297","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C36 H45 B2 Li O -","- C36 H45 B2 Li O -","- C144 H180 B8 Li4 O4 -","4","0.5","","Mao, Xiaofeng; Zhang, Jie; Xie, Zuowei","Regioselective C(sp<sup>3</sup>)-H borylation <i>via</i> a diarylboryl anion surrogate in sp<sup>2</sup>-sp<sup>3</sup> diboranes(5).","Chemical science","2025","16","47","22314","22321","10.1039/d5sc07180a","","","1.54178","CuKα","","0.0785","0.071","","","0.245","0.2572","","","","","","1.072","","","","has coordinates","304078","2025-12-06","22:10:43",""
"1576180","34.596","0.003","12.0674","0.0011","24.239","0.002","90","","107.79","0.004","90","","9635.5","1.5","114","2","114","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H72 B2 Li N O4 -","- C53 H72 B2 Li N O4 -","- C424 H576 B16 Li8 N8 O32 -","8","2","","Mao, Xiaofeng; Zhang, Jie; Xie, Zuowei","Regioselective C(sp<sup>3</sup>)-H borylation <i>via</i> a diarylboryl anion surrogate in sp<sup>2</sup>-sp<sup>3</sup> diboranes(5).","Chemical science","2025","16","47","22314","22321","10.1039/d5sc07180a","","","1.54178","CuKα","","0.0682","0.0617","","","0.1464","0.1514","","","","","","1.113","","","","has coordinates,has disorder","304078","2025-12-06","22:10:43",""
"1576219","10.305","0.0003","11.2133","0.0003","20.326","0.0006","87.874","0.001","82.5","0.001","68.349","0.001","2164.19","0.11","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 Cl Fe N2 O5 -","- C22 H26 Cl Fe N2 O5 -","- C88 H104 Cl4 Fe4 N8 O20 -","4","2","","Usman, Mohammad; Hussein, Mohamed A.T.; Kandiel, Tarek A.; Yamani, Zain H.; Shaikh, M. Nasiruzzaman","Catalytic ammonia oxidation mediated by high-spin Fe(iii) complex: combined experimental and DFT study","Catalysis Science & Technology","2026","16","1","124","136","10.1039/D5CY01107H","","x-ray","0.71073","MoKα","","0.0715","0.0609","","","0.1223","0.1267","","","","","","1.137","","","","has coordinates","304860","2026-03-05","12:09:45",""
"1576319","8.5337","0.0001","11.1285","0.0001","28.2876","0.0003","90","","97.031","0.001","90","","2666.19","0.05","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 O5 -","- C14 H20 O5 -","- C112 H160 O40 -","8","2","","Budekhin, Roman A.; Fomenkov, Dmitri I.; Ustyuzhanin, Alexander O.; Sliguzova, Darya Yu; Skokova, Ksenia V.; Vil', Vera A.; Alabugin, Igor V.; Terent'ev, Alexander O.","""Trading"" a C[double bond, length as m-dash]C moiety for four C-O bonds and a peroxide: combining ozone and <i>O</i>-nucleophiles for peroxidative ring expansion of cycloalkenes into medium-sized 1,2-dioxacycloalkanes.","Chemical science","2025","16","46","21806","21814","10.1039/d5sc06768e","","x-ray","1.54184","CuKα","","0.0443","0.0418","","","0.11","0.1116","","","","","","1.048","","","","has coordinates","303443","2025-11-26","23:18:26",""
"1576321","38.743","0.013","18.182","0.006","9.838","0.003","90","","90","","90","","6930","4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C39 H44 F6 P2 -","- C39 H44 F6 P2 -","- C312 H352 F48 P16 -","8","2","","Maity, Manik Lal; Chandra, Sayan; Mahato, Samyadeb; Bandyopadhyay, Subhajit","Installation of cationic phosphorus on dimethyldihydropyrene photoswitches: expanding the atomic repertoire towards far-red photoswitching in water.","Chemical science","2025","16","46","21991","22001","10.1039/d5sc06168g","","x-ray","0.71073","MoKα","","0.1721","0.1356","","","0.2914","0.314","","","","","","1.025","","","","has coordinates,has disorder","303445","2025-11-26","23:19:21",""
"1576322","10.8852","0.0005","12.4834","0.0006","25.1186","0.0012","101.427","0.002","90.026","0.002","115.072","0.002","3016.6","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","SB-MLM-DHPP2","","- C37.96 H35 O P -","- C37.96 H35 O P -","- C151.84 H140 O4 P4 -","4","2","","Maity, Manik Lal; Chandra, Sayan; Mahato, Samyadeb; Bandyopadhyay, Subhajit","Installation of cationic phosphorus on dimethyldihydropyrene photoswitches: expanding the atomic repertoire towards far-red photoswitching in water.","Chemical science","2025","16","46","21991","22001","10.1039/d5sc06168g","","","0.71073","MoKα","","0.096","0.0841","","","0.2276","0.2374","","","","","","1.092","","","","has coordinates,has disorder","303445","2025-11-26","23:19:21",""
"1576425","12.3464","0.0005","6.2562","0.0002","15.9702","0.0006","90","","110.806","0.002","90","","1153.12","0.08","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 Br2 O4 -","- C10 H8 Br2 O4 -","- C40 H32 Br8 O16 -","4","1","","Jungi, Hiren; Chhetri, Ashis; Kumar, Dheeraj; Podder, Sumana; R. S., Malavika; Kuniyil, Rositha; Mitra, Joyee","Bifunctional picolinate ionic liquids as metal-/halide-free sustainable catalysts for CO2 cycloaddition to epoxides","Catalysis Science & Technology","2026","16","2","458","468","10.1039/D5CY01068C","","","0.71073","MoKα","","0.0732","0.0389","","","0.0714","0.0843","","","","","","1.017","","","","has coordinates","304224","2026-02-12","20:39:03",""
"1576426","18.1182","0.0007","4.242","0.0002","19.6101","0.0008","90","","111.198","0.005","90","","1405.2","0.11","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C15 H10 N2 O2 S2 -","- C15 H10 N2 O2 S2 -","- C60 H40 N8 O8 S8 -","4","0.5","","Swain, Amlan; Behera, Bedabyas; Samal, Saroj Lochan; Rout, Laxmidhar; Mohapatra, Debendra K.","CuNiO2 nano catalyst for efficient Csp2–S bond formation in water: toward green synthesis of bioactive molecules","Catalysis Science & Technology","2026","16","3","830","839","10.1039/D5CY01377A","","x-ray","0.71073","MoKα","","0.0454","0.0329","","","0.0808","0.0858","","","","","","1.035","","","","has coordinates","304225","2026-02-12","20:39:55",""
"1576427","7.6812","0.0002","10.0587","0.0002","15.6788","0.0003","77.844","0.002","88.357","0.002","87.353","0.002","1182.74","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 F O S -","- C13 H11 F O S -","- C52 H44 F4 O4 S4 -","4","2","","Swain, Amlan; Behera, Bedabyas; Samal, Saroj Lochan; Rout, Laxmidhar; Mohapatra, Debendra K.","CuNiO2 nano catalyst for efficient Csp2–S bond formation in water: toward green synthesis of bioactive molecules","Catalysis Science & Technology","2026","16","3","830","839","10.1039/D5CY01377A","","x-ray","0.71073","MoKα","","0.0893","0.0433","","","0.1069","0.1238","","","","","","1.042","","","","has coordinates","304225","2026-02-12","20:39:55",""
"1576428","5.637","0.0002","22.295","0.0007","9.3965","0.0004","90","","95.349","0.004","90","","1175.78","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N2 O S2 -","- C11 H10 N2 O S2 -","- C44 H40 N8 O4 S8 -","4","1","","Swain, Amlan; Behera, Bedabyas; Samal, Saroj Lochan; Rout, Laxmidhar; Mohapatra, Debendra K.","CuNiO2 nano catalyst for efficient Csp2–S bond formation in water: toward green synthesis of bioactive molecules","Catalysis Science & Technology","2026","16","3","830","839","10.1039/D5CY01377A","","x-ray","0.71073","MoKα","","0.0486","0.0356","","","0.0968","0.1021","","","","","","1.137","","","","has coordinates","304225","2026-02-12","20:39:55",""
"1576429","10.3136","0.0005","8.2566","0.0004","15.63","0.0007","90","","103.712","0.005","90","","1293.04","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl O3 S -","- C13 H11 Cl O3 S -","- C52 H44 Cl4 O12 S4 -","4","1","","Swain, Amlan; Behera, Bedabyas; Samal, Saroj Lochan; Rout, Laxmidhar; Mohapatra, Debendra K.","CuNiO2 nano catalyst for efficient Csp2–S bond formation in water: toward green synthesis of bioactive molecules","Catalysis Science & Technology","2026","16","3","830","839","10.1039/D5CY01377A","","x-ray","0.71073","MoKα","","0.1246","0.0732","","","0.2083","0.2429","","","","","","1.071","","","","has coordinates","304225","2026-02-12","20:39:56",""
"1576430","6.683","0.0003","20.6941","0.001","10.3255","0.0004","90","","91.252","0.004","90","","1427.66","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O2 S -","- C16 H19 N O2 S -","- C64 H76 N4 O8 S4 -","4","1","","Swain, Amlan; Behera, Bedabyas; Samal, Saroj Lochan; Rout, Laxmidhar; Mohapatra, Debendra K.","CuNiO2 nano catalyst for efficient Csp2–S bond formation in water: toward green synthesis of bioactive molecules","Catalysis Science & Technology","2026","16","3","830","839","10.1039/D5CY01377A","","x-ray","0.71073","MoKα","","0.0771","0.0412","","","0.087","0.0955","","","","","","1.045","","","","has coordinates","304225","2026-02-12","20:39:56",""
"1576431","12.6019","0.0004","21.5377","0.0005","22.3675","0.0006","90","","90","","90","","6070.9","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C60 H40 N8 S16 -","- C60 H40 N8 S16 -","- C240 H160 N32 S64 -","4","0.5","","Swain, Amlan; Behera, Bedabyas; Samal, Saroj Lochan; Rout, Laxmidhar; Mohapatra, Debendra K.","CuNiO2 nano catalyst for efficient Csp2–S bond formation in water: toward green synthesis of bioactive molecules","Catalysis Science & Technology","2026","16","3","830","839","10.1039/D5CY01377A","","x-ray","0.71073","MoKα","","0.0887","0.0428","","","0.0819","0.091","","","","","","1.067","","","","has coordinates","304225","2026-02-12","20:39:56",""
"1576622","10.977","0.002","11.712","0.003","12.949","0.003","95.407","0.005","103.657","0.005","103.77","0.005","1551.1","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H35 Br N2 Ni -","- C36 H35 Br N2 Ni -","- C72 H70 Br2 N4 Ni2 -","2","1","","Redl, Samuel; Halas, Simon; Monkowius, Uwe; Topf, Christoph","Exploring the bimodal nature of a nickel-based catalytic system for the hydrogenation of alkenes and polycyclic aromatic hydrocarbons","Catalysis Science & Technology","2026","16","4","1238","1249","10.1039/D5CY01341K","","x-ray","0.71073","MoKa","","0.0845","0.0447","","","0.1075","0.1176","","","","","","1.107","","","","has coordinates","304585","2026-02-23","22:43:37",""
"1576623","12.2007","0.0004","31.66","0.0009","10.5824","0.0003","90","","93.398","0.001","90","","4080.5","0.2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C37 H50 Br N2 Ni -","- C37 H50 Br N2 Ni -","- C148 H200 Br4 N8 Ni4 -","4","1","","Redl, Samuel; Halas, Simon; Monkowius, Uwe; Topf, Christoph","Exploring the bimodal nature of a nickel-based catalytic system for the hydrogenation of alkenes and polycyclic aromatic hydrocarbons","Catalysis Science & Technology","2026","16","4","1238","1249","10.1039/D5CY01341K","","x-ray","0.71073","MoKa","","0.0754","0.0492","","","0.1301","0.1413","","","","","","1.002","","","","has coordinates","304585","2026-02-23","22:43:38",""
"1576624","16.2483","0.0015","16.9672","0.0016","8.7426","0.0008","90","","100.492","0.002","90","","2369.9","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 N2 Ni -","- C26 H32 N2 Ni -","- C104 H128 N8 Ni4 -","4","1","","Redl, Samuel; Halas, Simon; Monkowius, Uwe; Topf, Christoph","Exploring the bimodal nature of a nickel-based catalytic system for the hydrogenation of alkenes and polycyclic aromatic hydrocarbons","Catalysis Science & Technology","2026","16","4","1238","1249","10.1039/D5CY01341K","","x-ray","0.71073","MoKa","","0.1134","0.0599","","","0.1554","0.1753","","","","","","1.09","","","","has coordinates","304585","2026-02-23","22:43:38",""
"1576625","11.702","0.003","14.611","0.003","15.051","0.003","104.655","0.009","103.443","0.009","95.282","0.009","2390.1","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H58 N4 Ni2 -","- C47 H58 N4 Ni2 -","- C94 H116 N8 Ni4 -","2","1","","Redl, Samuel; Halas, Simon; Monkowius, Uwe; Topf, Christoph","Exploring the bimodal nature of a nickel-based catalytic system for the hydrogenation of alkenes and polycyclic aromatic hydrocarbons","Catalysis Science & Technology","2026","16","4","1238","1249","10.1039/D5CY01341K","","","0.71073","MoKα","","0.0938","0.0647","","","0.2086","0.2266","","","","","","1.069","","","","has coordinates,has disorder","304585","2026-02-23","22:43:38",""
"1576626","12.0486","0.0004","31.6028","0.001","10.6772","0.0003","90","","92.982","0.001","90","","4060","0.2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C37 H53 Cl N2 Ni -","- C37 H53 Cl N2 Ni -","- C148 H212 Cl4 N8 Ni4 -","4","1","","Redl, Samuel; Halas, Simon; Monkowius, Uwe; Topf, Christoph","Exploring the bimodal nature of a nickel-based catalytic system for the hydrogenation of alkenes and polycyclic aromatic hydrocarbons","Catalysis Science & Technology","2026","16","4","1238","1249","10.1039/D5CY01341K","","x-ray","0.71073","MoKa","","0.0825","0.0528","","","0.1373","0.1479","","","","","","0.989","","","","has coordinates","304585","2026-02-23","22:43:38",""
"1576627","11.352","0.0007","16.5221","0.0011","20.3395","0.0014","85.126","0.002","78.915","0.002","76.11","0.002","3631.2","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H68 Cl2 N4 Ni2 -","- C72 H68 Cl2 N4 Ni2 -","- C144 H136 Cl4 N8 Ni4 -","2","1","","Redl, Samuel; Halas, Simon; Monkowius, Uwe; Topf, Christoph","Exploring the bimodal nature of a nickel-based catalytic system for the hydrogenation of alkenes and polycyclic aromatic hydrocarbons","Catalysis Science & Technology","2026","16","4","1238","1249","10.1039/D5CY01341K","","x-ray","0.71073","MoKa","","0.1082","0.0668","","","0.157","0.1741","","","","","","1.032","","","","has coordinates","304585","2026-02-23","22:43:39",""
"1576628","12.6985","0.0003","36.7921","0.001","12.873","0.0004","90","","90","","90","","6014.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 N2 Ni -","- C32 H44 N2 Ni -","- C256 H352 N16 Ni8 -","8","2","","Redl, Samuel; Halas, Simon; Monkowius, Uwe; Topf, Christoph","Exploring the bimodal nature of a nickel-based catalytic system for the hydrogenation of alkenes and polycyclic aromatic hydrocarbons","Catalysis Science & Technology","2026","16","4","1238","1249","10.1039/D5CY01341K","","x-ray","0.71073","MoKa","","0.2046","0.0715","","","0.1692","0.2064","","","","","","0.93","","","","has coordinates","304585","2026-02-23","22:43:39",""
"1576629","21.2448","0.0012","18.7524","0.0008","18.5759","0.0008","90","","115.889","0.001","90","","6657.8","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C79 H80 N4 Ni2 -","- C79 H80 N4 Ni2 -","- C316 H320 N16 Ni8 -","4","1","","Redl, Samuel; Halas, Simon; Monkowius, Uwe; Topf, Christoph","Exploring the bimodal nature of a nickel-based catalytic system for the hydrogenation of alkenes and polycyclic aromatic hydrocarbons","Catalysis Science & Technology","2026","16","4","1238","1249","10.1039/D5CY01341K","","","0.71073","MoKα","","0.1286","0.0581","","","0.131","0.1536","","","","","","1.041","","","","has coordinates,has disorder","304585","2026-02-23","22:43:39",""
"1576630","20.76973","0.00031","20.76973","","20.76973","","90","","90","","90","","8959.68","0.13","298","1","298","1","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C24 N3 O16 Zr3 -","- C24 N3 O16 Zr3 -","- C192 N24 O128 Zr24 -","8","0.0416667","","Liu, Yongling; Huang, Zhaohui; Zhang, Senlin; Zhan, Ruoning; Wang, Yingxinjie; Xie, Xiuqiang; Zhang, Nan","Hierarchical hollow UiO-66-NH2/CdS heterostructure with synergistic mass transport and charge separation for enhanced photocatalytic hydrogen production","Catalysis Science & Technology","2026","16","4","1322","1331","10.1039/D5CY01232E","powder diffraction","","0.72768","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","304586","2026-02-23","22:44:07",""
"1576831","14.7271","0.00014","19.29125","0.00017","11.45396","0.00011","90","","109.672","0.0011","90","","3064.18","0.05","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H29 N9 O S2 Zn -","- C29 H29 N9 O S2 Zn -","- C116 H116 N36 O4 S8 Zn4 -","4","0.5","","Shrivastav, Akash; Tiwari, Raman Kumar; Yadav, Mangal S.; Bhattacharya, Subrato","Cis-thiolate bridged heterobimetallic complexes as efficient catalysts for glycosyl triazole synthesis","Catalysis Science & Technology","2026","16","5","1595","1609","10.1039/D5CY01152C","","x-ray","1.54184","CuKα","","0.0264","0.0249","","","0.0718","0.0728","","","","","","1.084","","","","has coordinates,has disorder","305002","2026-03-09","22:48:50",""
"1576832","13.4767","0.0001","16.1583","0.0002","17.9322","0.0003","102.508","0.001","102.566","0.001","102.879","0.001","3568.42","0.09","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C71 H73 Ag N12 Ni O6 P2 S2 -","- C68 H66 Ag N10 Ni O2 P2 S2 -","- C136 H132 Ag2 N20 Ni2 O4 P4 S4 -","2","1","","Shrivastav, Akash; Tiwari, Raman Kumar; Yadav, Mangal S.; Bhattacharya, Subrato","Cis-thiolate bridged heterobimetallic complexes as efficient catalysts for glycosyl triazole synthesis","Catalysis Science & Technology","2026","16","5","1595","1609","10.1039/D5CY01152C","","","1.54184","CuKα","","0.0345","0.03","","","0.0806","0.0828","","","","","","1.066","","","","has coordinates,has disorder","305002","2026-03-09","22:48:52",""
"1576833","13.5061","0.0002","16.2043","0.0003","18.0194","0.0003","102.564","0.001","102.759","0.001","102.673","0.001","3603","0.11","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C71 H73 Ag N12 O6 P2 S2 Zn -","- C68 H66 Ag N10 O2 P2 S2 Zn -","- C136 H132 Ag2 N20 O4 P4 S4 Zn2 -","2","1","","Shrivastav, Akash; Tiwari, Raman Kumar; Yadav, Mangal S.; Bhattacharya, Subrato","Cis-thiolate bridged heterobimetallic complexes as efficient catalysts for glycosyl triazole synthesis","Catalysis Science & Technology","2026","16","5","1595","1609","10.1039/D5CY01152C","","x-ray","1.54184","CuKα","","0.0321","0.029","","","0.0805","0.0823","","","","","","1.063","","","","has coordinates,has disorder","305002","2026-03-09","22:48:52",""
"1576834","13.3546","0.0001","20.0062","0.0002","21.7751","0.0002","90","","90","","90","","5817.76","0.09","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H29 N9 Ni O S2 -","- C29 H29 N9 Ni O S2 -","- C232 H232 N72 Ni8 O8 S16 -","8","1","","Shrivastav, Akash; Tiwari, Raman Kumar; Yadav, Mangal S.; Bhattacharya, Subrato","Cis-thiolate bridged heterobimetallic complexes as efficient catalysts for glycosyl triazole synthesis","Catalysis Science & Technology","2026","16","5","1595","1609","10.1039/D5CY01152C","","x-ray","1.54184","CuKα","","0.0478","0.0393","","","0.0852","0.089","","","","","","1.088","","","","has coordinates","305002","2026-03-09","22:48:52",""
"1576835","19.9114","0.0002","17.0586","0.0002","38.7226","0.0004","90","","96.291","0.001","90","","13073.3","0.2","293","2","293","2","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C63 H53 Cl3 Cu N9 Ni O3.14 P2 S2 -","- C63 H53 Cl3 Cu N9 Ni O3.14 P2 S2 -","- C504 H424 Cl24 Cu8 N72 Ni8 O25.12 P16 S16 -","8","1","","Shrivastav, Akash; Tiwari, Raman Kumar; Yadav, Mangal S.; Bhattacharya, Subrato","Cis-thiolate bridged heterobimetallic complexes as efficient catalysts for glycosyl triazole synthesis","Catalysis Science & Technology","2026","16","5","1595","1609","10.1039/D5CY01152C","","x-ray","1.54184","CuKα","","0.058","0.0491","","","0.1341","0.1406","","","","","","1.028","","","","has coordinates,has disorder","305002","2026-03-09","22:48:52",""
"2300548","3.803","","3.803","","5.651","","90","","90","","120","","70.78","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Pd (Pb0.2 As0.8)","","- As0.8 Pb0.2 Pd -","- As0.8 Pb0.2 Pd -","- As1.6 Pb0.4 Pd2 -","2","0.0833333","","Ellner, M.; Kattner, U.; Predel, B.","Kristallstrukturdaten von Pd Pb0.2 As0.8 (m).","Journal of Applied Crystallography","1983","16","","277","278","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310000","4.5618","0.0005","4.5618","0.0005","3.0205","0.0005","90","","90","","90","","62.857","0.014","","","298.15","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","Magnesium hydride","","- D2 Mg -","- D4 Mg2 -","- D4 Mg2 -","","","A03803","W. H. Zachariasen; C. E. Holley; Stamper, Jnr, J. F.","Neutron Diffraction Study of Magnesium Deuteride","Acta Crystallographica","1963","16","","352","353","10.1107/S0365110X63000967","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310238","5.312","","5.312","","5.312","","90","","90","","90","","149.891","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Sc P","","- P Sc -","- P Sc -","- P4 Sc4 -","4","0.0208333","","Parthe, E.","Note on the structure of Sc P and Y P","Acta Crystallographica (1,1948-23,1967)","1963","16","","71","71","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310246","9.108","","9.108","","8.852","","90","","90","","90","","734.324","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- Mo Ni -","- Mo Ni -","- Mo28 Ni28 -","28","7","","Shoemaker, C.B.; Shoemaker, D.P.","The crystal structure of the delta phase, Mo-Ni","Acta Crystallographica (1,1948-23,1967)","1963","16","","997","1009","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310256","7.149","","7.149","","3.899","","90","","90","","120","","172.574","","","","","","","","","","","","","2","P -6 2 m","P -6 -2","189","","","","- Pd5 Th3 -","- Pd5 Th3 -","- Pd5 Th3 -","1","0.0833333","","Thomson, J.R.","The crystal strucure of Th3 Pd5 and Th3 Pt5","Acta Crystallographica (1,1948-23,1967)","1963","16","","320","321","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310266","9.6274","","9.6274","","5.015","","90","","90","","90","","464.824","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","(Re W)","","- Re W -","- Re W -","- Re15 W15 -","15","0.9375","","Wilson, C.G.","Order in binary sigma-phases","Acta Crystallographica (1,1948-23,1967)","1963","16","","734","737","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310289","9.2287","","9.2287","","4.8269","","90","","90","","90","","411.102","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- Co2 Mo3 -","- Co2 Mo3 -","- Co12 Mo18 -","6","0.375","","Forsyth, J.B.; D'Alte da Veiga, L.M.","The structure of the sigma-phase Co2 Mo3","Acta Crystallographica (1,1948-23,1967)","1963","16","","509","512","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310298","4.308","","6.891","","7.303","","90","","90","","90","","216.8","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Cu2 Y -","- Cu2 Y -","- Cu8 Y4 -","4","0.25","","Kejriwal, P.K.; Ryba, E.","Crystal structure of Y Cu2","Acta Crystallographica (1,1948-23,1967)","1963","16","","853","853","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310303","3.475","","10.976","","9.22","","90","","90","","90","","351.666","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Co Pu3 -","- Co Pu3 -","- Co4 Pu12 -","4","0.25","","Larson, A.C.; Cromer, D.T.; Roof, R.B.jr.","The crystal structure of Pu3 Co","Acta Crystallographica (1,1948-23,1967)","1963","16","","835","836","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310318","4.346","","4.346","","3.807","","90","","90","","120","","62.272","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Cu2 La -","- Cu2 La -","- Cu2 La -","1","0.0416667","","Storm, A.R.; Benson, K.E.","Lanthanide-copper intermetallic compounds having the Ce Cu2 and Al B2 structures","Acta Crystallographica (1,1948-23,1967)","1963","16","","701","702","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310323","9.128","","9.128","","4.813","","90","","90","","90","","401.021","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- Fe Mo -","- Fe Mo -","- Fe15 Mo15 -","15","0.9375","","Wilson, C.G.; Spooner, F.J.","Ordering of atoms in the sigma phase of Fe Mo","Acta Crystallographica (1,1948-23,1967)","1963","16","","230","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310371","12.43","","7.458","","7.175","","90","","91.18","","90","","665.003","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","K2 (N H (S O3)2)","","- H K2 N O6 S2 -","- H K2 N O6 S2 -","- H4 K8 N4 O24 S8 -","4","0.5","","Cruickshank, D.W.J.; Jones, D.W.","A refinement of the crystal structure of potassium imidodisulphate","Acta Crystallographica (1,1948-23,1967)","1963","16","","877","883","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310372","9.57","","11.79","","12.91","","90","","109.5","","90","","1373.09","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Br Mn (C O)4)2","","- C8 Br2 Mn2 O8 -","- C8 Br2 Mn2 O8 -","- C32 Br8 Mn8 O32 -","4","1","","Dahl, L.F.; Wei, C.H.","Crystal structure of (Br Mn (C O)4)2","Acta Crystallographica (1,1948-23,1967)","1963","16","","611","616","","","","","","","","","","","","","","","","","","","","","","has coordinates","148747","2020-10-21","18:00:00",""
"2310376","6.89","","6.89","","19.94","","90","","90","","90","","946.594","","","","","","","","","","","","","2","I 41/a m d :2","-I 4bd 2","141","","U O3","","- O3 U -","- O3 U -","- O48 U16 -","16","0.5","","Engmann, R.; de Wolff, P.M.","The crystal structure of gamma-U O3","Acta Crystallographica (1,1948-23,1967)","1963","16","","993","996","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310379","8.99","","7.92","","4.13","","90","","105.53","","90","","283.323","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","(Zn (N2 H4)2) Cl2","","- Cl2 H8 N4 Zn -","- Cl2 H8 N4 Zn -","- Cl4 H16 N8 Zn2 -","2","0.25","","Ferrari, A.; Bigliardi, G.; Braibanti, A.","Chains of complexes in the crystal structure of bishydrazine zinc chloride","Acta Crystallographica (1,1948-23,1967)","1963","16","","498","502","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310380","3.483","","3.483","","17.4","","90","","90","","120","","182.804","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Ni Cl2","","- Cl2 Ni -","- Cl2 Ni -","- Cl6 Ni3 -","3","0.0833333","","Ferrari, A.; Braibanti, A.; Bigliardi, G.","Refinement of the crystal structure of Ni Cl2 and of unit-cell parameters of some anhydrous chlorides of divalent metals","Acta Crystallographica (1,1948-23,1967)","1963","16","","846","847","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310384","8.52","","11.09","","6.69","","90","","90","","90","","632.117","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","K H2 F3","","- F3 H2 K -","- F3 K -","- F24 K8 -","8","2","","Forrester, J.D.; Zalkin, A.; Senko, M.E.; Templeton, D.H.","Crystal Structure of K H2 F3 and Geometry of the H2 F3(-) Ion","Acta Crystallographica (1,1948-23,1967)","1963","16","","58","62","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310395","9.181","","12.459","","6.239","","90","","106.95","","90","","682.653","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(N H4)2 Ni (S O4)2 (H2 O)6","","- H20 N2 Ni O14 S2 -","- H20 N2 Ni O14 S2 -","- H40 N4 Ni2 O28 S4 -","2","0.5","","Grimes, N. W.; Kay, H. F.; Webb, M. W.","The crystal structure of ammonium nickel sulphate hexahydrate (N H4)2 Ni (S O4)2 (H2 O)6","Acta Crystallographica (1,1948-23,1967)","1963","16","","823","829","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:00",""
"2310418","11.37","","6.01","","7.63","","90","","85.7","","90","","519.918","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Na (P O3)","","- Na O3 P -","- Na O3 P -","- Na8 O24 P8 -","8","2","","Jost, K.H.","Die Struktur des Kurrol'schen Na-Salzes (Na P O3)x, Typ B","Acta Crystallographica (1,1948-23,1967)","1963","16","","640","642","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310459","5.868","","5.624","","6.45","","90","","90","","90","","212.861","","","","","","","","","","","","","5","P m c m","-P 2c 2","51","","Na H C N4 H2 O","","- C H3 N4 Na O -","- C H3 N4 Na O -","- C2 H6 N8 Na2 O2 -","2","0.25","","Palenik, G.J.","The crystal and molecular structure of sodium tetrazolate monohydrate","Acta Crystallographica (1,1948-23,1967)","1963","16","","596","600","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:00",""
"2310460","6.31","","7.08","","6.19","","90","","90","","90","","276.537","","","","","","","","","","","","","2","P c a b","-P 2bc 2ac","61","","N C C N","","- C2 N2 -","- C2 N2 -","- C8 N8 -","4","0.5","","Parkes, A.S.; Hughes, R.E.","The crystal structure of cyanogen","Acta Crystallographica (1,1948-23,1967)","1963","16","","734","736","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:00",""
"2310499","7.676","","11.463","","11.396","","90","","109.63","","90","","944.457","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Eu2 (W O4)3","","- Eu2 O12 W3 -","- Eu2 O12 W3 -","- Eu8 O48 W12 -","4","0.5","","Templeton, D.H.; Zalkin, A.","Crystal structure of europium tungstate","Acta Crystallographica (1,1948-23,1967)","1963","16","","762","766","","","","","","","","","","","","","","","","","","","","","","has coordinates","150043","2020-10-21","18:00:00",""
"2310504","6.078","","11.145","","9.145","","90","","108.83","","90","","586.322","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Li Cu Cl3 (H2 O)2","","- Cl3 Cu O2 -","- Cl3 Cu H4 O2 -","- Cl12 Cu4 H16 O8 -","4","1","","Vossos, P.H.; Fitzwater, D.R.; Rundle, R.E.","The crystal structure of Li Cu Cl3 (H2 O)2","Acta Crystallographica (1,1948-23,1967)","1963","16","","1037","1045","","","","","","","","","","","","","","","","","","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2310540","14.339","","4.006","","9.873","","90","","95","","90","","564.967","","","","","","","","","","","","Synthetic","2","C 1 2/m 1","-C 2y","12","","","Kalgoorlieite","- As2 Te3 -","- As2 Te3 -","- As8 Te12 -","4","0.5","","Carron, G.J.","The crystal structure and powder data for arsenic telluride","Acta Crystallographica (1,1948-23,1967)","1963","16","","338","343","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:40",""
"2310546","6.758","","6.758","","5.778","","90","","90","","120","","228.531","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Ba Ti S3","","- Ba S3 Ti -","- Ba S3 Ti -","- Ba2 S6 Ti2 -","2","0.166667","","Clearfield, A.","The synthesis and crystal structures of some alkaline earth titanium and zirkonium sulfides","Acta Crystallographica (1,1948-23,1967)","1963","16","","135","142","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310571","13.282","","14.351","","4.284","","90","","95.72","","90","","812.507","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","K (I Cl4) (H2 O)","","- Cl4 H2 I K O -","- Cl4 H2 I K O -","- Cl16 H8 I4 K4 O4 -","4","1","","Elema, R. J.; Vos, A.; de Boer, J. L.","The refinement of the crystal structure of K I Cl4 (H2 O)","Acta Crystallographica (1,1948-23,1967)","1963","16","","243","247","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:00",""
"2310572","9.19","","6.9","","8.92","","90","","101.2","","90","","554.854","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","As (C N)3","","- C3 As N3 -","- C3 As N3 -","- C12 As4 N12 -","4","1","","Emerson, K.; Britton, D.","The Crystal and Molecular Structure of Arsenic Tricyanide","Acta Crystallographica (1,1948-23,1967)","1963","16","","113","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:00",""
"2310586","4.47","","5.75","","17.07999","","90","","91.12","","90","","438.915","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cu5 (P O4)2 (O H)4","","- Cu5 H4 O12 P2 -","- Cu5 O12 P2 -","- Cu10 O24 P4 -","2","0.5","","Ghose, S.","The crystal structure of pseudomalachite, Cu5 (P O4) (O H)4","Acta Crystallographica (1,1948-23,1967)","1963","16","","124","128","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310612","5.76","","8.537","","9.121","","90","","90","","90","","448.508","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Al4 O4 C","","- C Al4 O4 -","- C Al4 O4 -","- C4 Al16 O16 -","4","0.5","","Jeffrey, G.A.; Slaughter, M.","The structure of aluminium tetroxycarbide","Acta Crystallographica (1,1948-23,1967)","1963","16","","177","184","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310623","4.412","","16.19","","9.69","","90","","90","","90","","692.159","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","K Hg (C N)2 I","","- C2 Hg I K N2 -","- C2 Hg I K N2 -","- C8 Hg4 I4 K4 N8 -","4","0.25","","Kruse, F.H.","The crystal structure of K I Hg (C N)2","Acta Crystallographica (1,1948-23,1967)","1963","16","","105","109","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310642","8.02","","7.26","","11.54","","90","","124.7","","90","","552.414","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Zn (C2 H5 N3 O2)2) Cl2","","- C4 H10 Cl2 N6 O4 Zn -","- C4 H10 Cl2 N6 O4 Zn -","- C8 H20 Cl4 N12 O8 Zn2 -","2","0.5","","Nardelli, M.; Fava, G.; Giraldi, G.","The crystal and molecular structure of bis-biuret-zinc chloride","Acta Crystallographica (1,1948-23,1967)","1963","16","","343","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310651","5.851","","5.851","","11.702","","90","","90","","90","","400.609","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","Zn Sn As2","","- As2 Sn Zn -","- As2 Sn Zn -","- As8 Sn4 Zn4 -","4","0.25","","Pfister, H.","Kristallstruktur von Zn Sn As2","Acta Crystallographica (1,1948-23,1967)","1963","16","","153","153","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310676","5.49","","5.49","","7.085","","90","","90","","120","","184.933","","","","","","","","","","","","","4","P 3 1 m","P 3 -2","157","","Fe3 ((Fe Si) O4 (O H)5)","","- Fe4 H5 O9 Si -","- Fe4 O9 Si -","- Fe4 O9 Si -","1","0.166667","","Steadman, R.; Nuttall, P.M.","Polymorphism in cronstedtite","Acta Crystallographica (1,1948-23,1967)","1963","16","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310677","5.49","","5.49","","14.17","","90","","90","","120","","369.867","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","Fe3 ((Fe Si) O4 (O H)5)","","- Fe4 H5 O9 Si -","- Fe4 O9 Si -","- Fe8 O18 Si2 -","2","0.166667","","Steadman, R.; Nuttall, P.M.","Polymorphism in cronstedtite","Acta Crystallographica (1,1948-23,1967)","1963","16","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310678","5.49","","5.49","","21.21","","90","","90","","120","","553.625","","","","","","","","","","","","","4","P 31","P 31","144","","Fe3 ((Fe Si) O4 (O H)5)","","- Fe4 H5 O9 Si -","- Fe4 O9 Si -","- Fe12 O27 Si3 -","3","1","","Steadman, R.; Nuttall, P.M.","Polymorphism in cronstedtite","Acta Crystallographica (1,1948-23,1967)","1963","16","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310679","5.49","","5.49","","42.5","","90","","90","","120","","1109.34","","","","","","","","","","","","","4","R 3 :H","R 3","146","","Fe3 ((Fe Si) O4 (O H)5)","","- Fe4 H5 O9 Si -","- Fe4 O9 Si -","- Fe24 O54 Si6 -","6","0.666667","","Steadman, R.; Nuttall, P.M.","Polymorphism in cronstedtite","Acta Crystallographica (1,1948-23,1967)","1963","16","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310688","11.94","","11.94","","8.06","","90","","90","","90","","1149.06","","","","","","","","","","","","","3","P 42 n m","P 4n -2n","102","","((N H3)5 Co O2 Co (N H3)5) (N O3)5","","- Co2 N15 O11 -","- Co2 H30 N15 O11 -","- Co4 H60 N30 O22 -","2","0.25","","Vannerberg, N. G.; Brosset, C.","The crystal structure of decammine-mue-peroxodicobalt pentanitrate","Acta Crystallographica (1,1948-23,1967)","1963","16","","247","251","","","","","","","","","","","","","","","","","","","","","","has coordinates","189063","2020-10-21","18:00:00",""
"2310697","9.193","","9.193","","4.299","","90","","90","","90","","363.314","","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","","(N S F)4","","- F4 N4 S4 -","- F4 N4 S4 -","- F8 N8 S8 -","2","0.25","","Wiegers, G.A.; Vos, A.","Refinement of the structure of tetrathiazylfluoride, (N S F)4","Acta Crystallographica (1,1948-23,1967)","1963","16","","152","153","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:01",""
"2310751","10.59","","7.1","","10.66","","90","","103.58","","90","","779.107","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Sn Br4","","- Br4 Sn -","- Br4 Sn -","- Br16 Sn4 -","4","1","","Brand, P.; Sackmann, H.","Die Kristallstruktur von Sn Br4","Acta Crystallographica (1,1948-23,1967)","1963","16","","446","451","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310879","4.3007","","4.3007","","11.222","","90","","90","","120","","179.754","","","","","","","","","","","","","1","R -3 m :H","-R 3 2""","166","","","","- Sb -","- Sb -","- Sb6 -","6","0.166667","","Barrett, C.S.; Cucka, P.; Haefner, K.","The Crystal Structure of Antimony at 4.2, 78 and 298 K","Acta Crystallographica (1,1948-23,1967)","1963","16","","451","453","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310880","3.3012","","3.3012","","11.232","","90","","90","","120","","106.006","","","","","","","","","","","","","1","R -3 m :H","-R 3 2""","166","","","","- Sb -","- Sb -","- Sb6 -","6","0.166667","","Barrett, C.S.; Cucka, P.; Haefner, K.","The crystal structure of antimony at 4.2, 78 and 298 K","Acta Crystallographica (1,1948-23,1967)","1963","16","","451","453","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310945","3.288","","3.288","","12.9","","90","","90","","120","","120.777","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Mo Se2 -","- Mo Se2 -","- Mo2 Se4 -","2","0.0833333","","James, P.B.; Lavik, M.T.","The crystal structure of Mo Se2","Acta Crystallographica (1,1948-23,1967)","1963","16","","1183","1183","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310981","9.5788","","9.5788","","4.9741","","90","","90","","90","","456.391","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- Mo Re2 -","- Mo Re2 -","- Mo10 Re20 -","10","0.625","","Wilson, C.G.","Order in binary sigma-phases","Acta Crystallographica (1,1948-23,1967)","1963","16","","724","730","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310994","4.5025","","4.5025","","3.0123","","90","","90","","90","","61.067","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Mg (D1.8 H0.2)","","- D1.8 H0.2 Mg -","- D1.8 H0.2 Mg -","- D3.6 H0.4 Mg2 -","2","0.125","","Zachariasen, W.H.; Holley, C.E.jr.; Stamper, J.F.jr.","Neutron diffraction study of magnesium deuteride","Acta Crystallographica (1,1948-23,1967)","1963","16","","352","353","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311043","11.83","","10.449","","9.227","","90","","138.65","","90","","753.522","","","","","","","","","","","","","1","C 1 2/m 1","-C 2y","12","","","","- Pu -","- Pu -","- Pu34 -","34","4.25","","Zachariasen, W.H.; Ellinger, F.H.","The crystal structure of beta plutonium metal","Acta Crystallographica (1,1948-23,1967)","1963","16","","369","375","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311056","25.04","","7.94","","25.16","","90","","160.6","","90","","1661.55","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Pb3 As5 S10","","- As5 Pb3 S10 -","- As5 Pb3 S10 -","- As20 Pb12 S40 -","4","1","","Nowacki, W.; Marumo, F.","Investigations on sulphosalts from Binnatal (Ct. Wallis, Switzerland). part 7","Acta Crystallographica (1,1948-23,1967)","1963","16","","A11","A12","","","","","","","","","","","","","","","","","","","","","","has coordinates","172629","2020-10-21","18:00:00",""
"3000200","9.2588","0.0018","9.5065","0.0019","12.181","0.002","70.416","0.002","80.694","0.002","61.22","0.002","885.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H36 Cl4 Cu2 N16 O2 -","- C28 H36 Cl4 Cu2 N16 O2 -","- C28 H36 Cl4 Cu2 N16 O2 -","1","0.5","","José Manuel Méndez-Arriaga; Itziar Oyarzabal; Álvaro Martín-Montes; Judith García-Rodríguez; Miguel Quirós; Manuel Sánchez-Moreno","First Example of Antiparasitic Activity Influenced by Thermochromism: Leishmanicidal Evaluation of 5,7-dimethyl-1,2,4-triazolo[1,5-a]pyrimidine Metal Complexes.","Medicinal chemistry (Shariqah (United Arab Emirates))","2020","16","3","422","430","10.2174/1573406415666190401120607","","","0.71073","MoKα","","0.0286","0.0268","","","0.0691","0.0703","","","","","","1.095","","","","has coordinates","252433","2020-10-21","18:00:00",""
"4000397","8.23","0.001","9.655","0.001","4.9093","0.0008","90","","90","","90","","390.1","0.09","293","2","293","2","","","","","","","","5","I m m 2","I 2 -2","44","Ba sialon","","","- Al Ba N7 O2 Si5 -","- Al Ba N7 O2 Si5 -","- Al2 Ba2 N14 O4 Si10 -","2","0.25","","Esmaeilzadeh, Saeid; Grins, Jekabs; Shen, Zhijian; Edén, Mattias; Thiaux, Marie","Study of Sialon S-phases M~2~Al~x~Si~12-x~N~16-x~O~2+x~, M = Ba and Ba~0.9~Eu~0.1~, by X-ray Single Crystal Diffraction, X-ray Powder Diffraction, and Solid-State Nuclear Magnetic Resonance","Chemistry of Materials","2004","16","11","2113","2120","10.1021/cm031129l","","","0.71073","MoKα","","0.0351","0.0349","","","0.0952","0.0954","","","","","","1.138","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000425","3.80005","0.00006","3.80005","","4.6703","0.0001","90","","90","","90","","67.441","0.002","293","","293","","","","","","","","","3","P 4 m m","P 4 -2","99","Lead vanadate","Lead Vanadium oxide","","- O3 Pb V -","- O3 Pb V -","- O3 Pb V -","1","0.125","","Shpanchenko, Roman V.; Chernaya, Victoria V.; Tsirlin, Alexander A.; Chizhov, Pavel S.; Sklovsky, Dmitry E.; Antipov, Evgeny V.; Khlybov, Evgeny P.; Pomjakushin, Vladimir; Balagurov, Anatoly M.; Medvedeva, Julia E.; Kaul, Enrique E.; Geibel, Christoph","","Chemistry of Materials","2004","16","17","3267","3273","10.1021/cm049310x","powder diffraction","","","","","","","","","","","","","1.91","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000445","10.719","0.003","11.444","0.002","13.315","0.003","85.567","0.017","87.28","0.02","73.885","0.019","1563.9","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 O2 -","- C21 H15 O2 -","- C84 H60 O8 -","4","2","","Tsai, Mu-Lin; Liu, Ching-Yang; Wang, Ya-Yun; Chen, Jao-yu; Chou, Teh-Chang; Lin, Hsiu-Mei; Tsai, Sheng-Heng; Chow, Tahsin J.","Preparation and Luminescence Properties of Polymers Containing Dialkoxyacenes","Chemistry of Materials","2004","16","17","3373","3380","10.1021/cm049431x","","x-ray","0.71073","MoKα","","0.1896","0.0515","","","0.1445","0.2011","","","","","","1.02","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000684","15.8524","0.0003","10.4636","0.0002","15.8729","0.0003","90","","105.021","0.0009","90","","2542.93","0.08","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N5 Na O4 S2 -","- C22 H28 N5 Na O4 S2 -","- C88 H112 N20 Na4 O16 S8 -","4","1","","Olivier LeBel; Marie-Eve Perron; Thierry Maris; Sylvia F. Zalzal; Antonio Nanci; James D. Wuest","A New Class of Selective Low-Molecular-Weight Gelators Based on Salts of Diaminotriazinecarboxylic Acids","Chem. Mater.","2006","16","","3616","3626","10.1021/cm049234y","","","1.54178","CuKα","","0.0636","0.0401","","","0.0996","0.1089","","","","","","1.003","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001605","6.5483","0.0008","8.3548","0.001","10.42","0.0013","90","","105.04","0.003","90","","550.55","0.12","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cr2 K2 O12 U2 -","- Cr2 K2 O12 U2 -","- Cr4 K4 O24 U4 -","2","0.5","","Locock, A. J.; Skanthakumar, S.; Burns, P. C.; Soderholm, L.","Syntheses, Structures, Magnetic Properties, and X-ray Absorption Spectra of Carnotite-type Uranyl Chromium(V) Oxides: A[(UO2)2Cr2O8](H2O)n(A = K2, Rb2, Cs2, Mg;n= 0, 4)","Chemistry of Materials","2004","16","7","1384","","10.1021/cm030639c","","","0.71073","MoKα","","","0.0199","","","","0.0426","","","","","","1.042","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001606","6.8677","0.0006","8.3599","0.0007","10.4625","0.0008","90","","106.004","0.002","90","","577.41","0.08","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cr2 O12 Rb2 U2 -","- Cr2 O12 Rb2 U2 -","- Cr4 O24 Rb4 U4 -","2","0.5","","Locock, A. J.; Skanthakumar, S.; Burns, P. C.; Soderholm, L.","Syntheses, Structures, Magnetic Properties, and X-ray Absorption Spectra of Carnotite-type Uranyl Chromium(V) Oxides: A[(UO2)2Cr2O8](H2O)n(A = K2, Rb2, Cs2, Mg;n= 0, 4)","Chemistry of Materials","2004","16","7","1384","","10.1021/cm030639c","","","0.71073","MoKα","","","0.0296","","","","0.0564","","","","","","0.842","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001607","7.2643","0.0015","8.3803","0.0017","10.51","0.002","90","","106.399","0.005","90","","613.8","0.2","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cr2 Cs2 O12 U2 -","- Cr2 Cs2 O12 U2 -","- Cr4 Cs4 O24 U4 -","2","0.5","","Locock, A. J.; Skanthakumar, S.; Burns, P. C.; Soderholm, L.","Syntheses, Structures, Magnetic Properties, and X-ray Absorption Spectra of Carnotite-type Uranyl Chromium(V) Oxides: A[(UO2)2Cr2O8](H2O)n(A = K2, Rb2, Cs2, Mg;n= 0, 4)","Chemistry of Materials","2004","16","7","1384","","10.1021/cm030639c","","","0.71073","MoKα","","","0.0569","","","","0.1102","","","","","","0.746","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001608","10.5825","0.0019","15.134","0.003","8.1425","0.0014","90","","90","","90","","1304.1","0.4","293","2","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cr2 H8 Mg O16 U2 -","- Cr2 Mg O16 U2 -","- Cr8 Mg4 O64 U8 -","4","0.5","","Locock, A. J.; Skanthakumar, S.; Burns, P. C.; Soderholm, L.","Syntheses, Structures, Magnetic Properties, and X-ray Absorption Spectra of Carnotite-type Uranyl Chromium(V) Oxides: A[(UO2)2Cr2O8](H2O)n(A = K2, Rb2, Cs2, Mg;n= 0, 4)","Chemistry of Materials","2004","16","7","1384","","10.1021/cm030639c","","","0.71073","MoKα","","","0.0511","","","","0.1334","","","","","","0.773","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001609","7.2902","0.0015","8.3757","0.0017","61.789","0.013","88.085","0.003","89.908","0.003","71.268","0.003","3570.9","1.3","153","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H45 Cl N2 O -","- C22 H43 Cl N2 O -","- C132 H258 Cl6 N12 O6 -","6","3","","Downard, A.; Earle, M. J.; Hardacre, C.; McMath, S. E. J.; Nieuwenhuyzen, M.; Teat, S. J.","Structural Studies of Crystalline 1-Alkyl-3-Methylimidazolium Chloride Salts","Chemistry of Materials","2004","16","1","43","","10.1021/cm034344a","","","0.6867","Synchrotron","","0.08","0.0612","","","0.1611","0.1745","","","","","","1.033","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001610","6.81","0.003","9.037","0.004","25.214","0.011","92.057","0.008","94.654","0.008","108.591","0.007","1462.8","1.1","298","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H48 Cl4 N2 O -","- C24 H46 Cl4 N2 O -","- C48 H92 Cl8 N4 O2 -","2","1","","Downard, A.; Earle, M. J.; Hardacre, C.; McMath, S. E. J.; Nieuwenhuyzen, M.; Teat, S. J.","Structural Studies of Crystalline 1-Alkyl-3-Methylimidazolium Chloride Salts","Chemistry of Materials","2004","16","1","43","","10.1021/cm034344a","","","0.71073","MoKα","","0.2118","0.1046","","","0.2595","0.3228","","","","","","0.93","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001611","6.8297","0.0004","16.6725","0.0009","14.2487","0.0008","90","","90","","90","","1622.47","0.16","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ce2 I6 O19 -","- Ce2 I6 O19 -","- Ce8 I24 O76 -","4","0.5","","Sykora, Richard E.; Deakin, Laura; Mar, Arthur; Skanthakumar, S.; Soderholm, L.; Albrecht-Schmitt, Thomas E.","Isolation of Intermediate-Valent Ce(III)/Ce(IV) Hydrolysis Products in the Preparation of Cerium Iodates: Electronic and Structural Aspects of Ce2(IO3)6(OHx) (x≈ 0 and 0.44)","Chemistry of Materials","2004","16","7","1343","","10.1021/cm035147e","","","0.71073","MoKα","","0.0174","0.016","","","0.0375","0.038","","","","","","1.18","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001612","6.8534","0.0004","16.9885","0.001","14.2404","0.0008","90","","90","","90","","1658","0.17","193","2","193","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ce2 H0.5 I6 O19 -","- Ce2 I6 O19 -","- Ce8 I24 O76 -","4","0.5","","Sykora, Richard E.; Deakin, Laura; Mar, Arthur; Skanthakumar, S.; Soderholm, L.; Albrecht-Schmitt, Thomas E.","Isolation of Intermediate-Valent Ce(III)/Ce(IV) Hydrolysis Products in the Preparation of Cerium Iodates: Electronic and Structural Aspects of Ce2(IO3)6(OHx) (x≈ 0 and 0.44)","Chemistry of Materials","2004","16","7","1343","","10.1021/cm035147e","","","0.71073","MoKα","","0.0303","0.0302","","","0.0646","0.0646","","","","","","1.563","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001728","13.852","","7.663","","13.661","","90","","90.093","","90","","1450.08","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Ag5 Te2 Cl","","- Ag5 Cl Te2 -","- Ag5 Cl Te2 -","- Ag40 Cl8 Te16 -","8","2","","Boettcher, P.; Nilges, T.; Pfitzner, A.; Nilsen, S.; Doert, T.","Structure-property relations and diffusion pathways of the silver ion conductor Ag5 Te2 Cl","Chemistry of Materials (1,1989-)","2004","16","","806","812","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001729","9.7783","","9.7783","","7.8658","","90","","90","","90","","752.09","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Ag5 Te2 Cl","","- Ag5 Cl Te2 -","- Ag5 Cl Te2 -","- Ag20 Cl4 Te8 -","4","0.125","","Nilges, T.; Doert, T.; Pfitzner, A.; Boettcher, P.; Nilsen, S.","Structure-property relations and diffusion pathways of the silver ion conductor Ag5 Te2 Cl","Chemistry of Materials (1,1989-)","2004","16","","806","812","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002630","4.6379","","10.743","","7.464","","90","","90","","90","","371.893","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","La Pd In2","","- In2 La Pd -","- In2 La Pd -","- In8 La4 Pd4 -","4","0.25","","Zaremba, V.I.; Kaczorowski, D.; Hoffmann, R.D.; Poettgen, R.; Rodewald, U.C.","La Pd In2 with Mg Cu Al2 and RE Pd In2 (RE = Y, Pr, Nd, Sm, Gd-Tm, Lu) with Hf Ni Ga2 type structure: synthesis, structure, and physical properties","Chemistry of Materials (1,1989-)","2004","16","","466","476","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002631","13.977","","13.977","","9.255","","90","","90","","90","","1808.03","","","","","","","","","","","","","3","I 4 m m","I 4 -2","107","","Pr Pd In2","","- In2 Pd Pr -","- In2 Pd Pr -","- In40 Pd20 Pr20 -","20","1.25","","Zaremba, V.I.; Kaczorowski, D.; Poettgen, R.; Rodewald, U.C.; Hoffmann, R.D.","La Pd In2 with Mg Cu Al2 and RE Pd In2 (RE = Y, Pr, Nd, Sm, Gd-Tm, Lu) with Hf Ni Ga2 type structure: synthesis, structure, and physical properties","Chemistry of Materials (1,1989-)","2004","16","","466","476","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002632","13.685","","13.685","","9.128","","90","","90","","90","","1709.48","","","","","","","","","","","","","3","I 4 m m","I 4 -2","107","","Tb0.98 Pd In2.02","","- In2.02 Pd Tb0.98 -","- In2.02 Pd Tb0.98 -","- In40.4 Pd20 Tb19.6 -","20","1.25","","Zaremba, V.I.; Kaczorowski, D.; Rodewald, U.C.; Hoffmann, R.D.; Poettgen, R.","La Pd In2 with Mg Cu Al2 and RE Pd In2 (RE = Y, Pr, Nd, Sm, Gd-Tm, Lu) with Hf Ni Ga2 type structure: synthesis, structure, and physical properties","Chemistry of Materials (1,1989-)","2004","16","","466","476","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002633","13.588","","13.588","","9.084","","90","","90","","90","","1677.21","","","","","","","","","","","","","3","I 4 m m","I 4 -2","107","","Tm0.99 Pd In2.01","","- In2.01 Pd Tm0.99 -","- In2.014 Pd Tm0.986 -","- In40.28 Pd20 Tm19.72 -","20","1.25","","Zaremba, V.I.; Hoffmann, R.D.; Kaczorowski, D.; Rodewald, U.C.; Poettgen, R.","La Pd In2 with Mg Cu Al2 and RE Pd In2 (RE = Y, Pr, Nd, Sm, Gd-Tm, Lu) with Hf Ni Ga2 type structure: synthesis, structure, and physical properties","Chemistry of Materials (1,1989-)","2004","16","","466","476","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4037807","12.2054","0.0005","28.5826","0.0015","20.7771","0.0011","90","","99.232","0.002","90","","7154.5","0.6","150","2","149.98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 I20 N6 -","- C40 H44 I20 N6 -","- C160 H176 I80 N24 -","4","1","","Xu, Xingyu; Huang, Shiqing; Zhang, Zengyu; Cao, Lei; Yan, Xiaoyu","Halogen-bonding-induced diverse aggregation of 4,5-diiodo-1,2,3-triazolium salts with different anions","Beilstein Journal of Organic Chemistry","2020","16","","78","87","10.3762/bjoc.16.10","","","0.71073","MoKα","","0.0673","0.043","","","0.09","0.0997","","","","","","1.012","","","","has coordinates,has disorder","301828","2025-08-20","10:33:21",""
"4037808","23.5982","0.0013","23.5982","0.0013","9.8455","0.0006","90","","90","","90","","5482.7","0.5","200","2","200","","","","","","","","","5","I -4","I -4","82","","","","- C20 H22 Br I2 N3 -","- C20 H22 Br I2 N3 -","- C160 H176 Br8 I16 N24 -","8","1","","Xu, Xingyu; Huang, Shiqing; Zhang, Zengyu; Cao, Lei; Yan, Xiaoyu","Halogen-bonding-induced diverse aggregation of 4,5-diiodo-1,2,3-triazolium salts with different anions","Beilstein Journal of Organic Chemistry","2020","16","","78","87","10.3762/bjoc.16.10","","","0.71073","MoKα","","0.079","0.0542","","","0.1425","0.1553","","","","","","1.074","","","","has coordinates","301828","2025-08-20","10:33:21",""
"4037809","23.9419","0.001","23.9419","0.001","10.1217","0.0003","90","","90","","90","","5801.9","0.4","200","2","200","","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C20 H22 I3 N3 -","- C20 H22 I3 N3 -","- C160 H176 I24 N24 -","8","1","","Xu, Xingyu; Huang, Shiqing; Zhang, Zengyu; Cao, Lei; Yan, Xiaoyu","Halogen-bonding-induced diverse aggregation of 4,5-diiodo-1,2,3-triazolium salts with different anions","Beilstein Journal of Organic Chemistry","2020","16","","78","87","10.3762/bjoc.16.10","","","0.71073","MoKα","","0.1114","0.0613","","","0.1361","0.1531","","","","","","1.12","","","","has coordinates","301828","2025-08-20","10:33:21",""
"4037810","32.77","0.004","9.7269","0.0013","23.215","0.003","90","","134.483","0.003","90","","5279.4","1.2","200","2","200","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H22 Cl I2 N3 -","- C20 H22 Cl I2 N3 -","- C160 H176 Cl8 I16 N24 -","8","2","","Xu, Xingyu; Huang, Shiqing; Zhang, Zengyu; Cao, Lei; Yan, Xiaoyu","Halogen-bonding-induced diverse aggregation of 4,5-diiodo-1,2,3-triazolium salts with different anions","Beilstein Journal of Organic Chemistry","2020","16","","78","87","10.3762/bjoc.16.10","","","0.71073","MoKα","","0.0893","0.0591","","","0.1166","0.1272","","","","","","1.054","","","","has coordinates","301828","2025-08-20","10:33:21",""
"4037811","15.734","0.003","16.15","0.004","18.906","0.004","109.625","0.006","90.918","0.006","118.792","0.005","3872.6","1.5","298","2","297.85","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 B F4 I2 N3 -","- C20 H22 B F4 I2 N3 -","- C120 H132 B6 F24 I12 N18 -","6","3","","Xu, Xingyu; Huang, Shiqing; Zhang, Zengyu; Cao, Lei; Yan, Xiaoyu","Halogen-bonding-induced diverse aggregation of 4,5-diiodo-1,2,3-triazolium salts with different anions","Beilstein Journal of Organic Chemistry","2020","16","","78","87","10.3762/bjoc.16.10","","","0.71073","MoKα","","0.1692","0.0921","","","0.2475","0.2991","","","","","","1.045","","","","has coordinates","301828","2025-08-20","10:33:21",""
"4037812","16.791","0.006","28.467","0.011","12.617","0.005","90","","107.753","0.015","90","","5744","4","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 I12 N6 -","- C40 H44 I12 N6 -","- C160 H176 I48 N24 -","4","1","","Xu, Xingyu; Huang, Shiqing; Zhang, Zengyu; Cao, Lei; Yan, Xiaoyu","Halogen-bonding-induced diverse aggregation of 4,5-diiodo-1,2,3-triazolium salts with different anions","Beilstein Journal of Organic Chemistry","2020","16","","78","87","10.3762/bjoc.16.10","","","0.71073","MoKα","","0.0394","0.031","","","0.0645","0.0673","","","","","","1.088","","","","has coordinates,has disorder","301828","2025-08-20","10:33:21",""
"4037813","22.3708","0.0019","11.2189","0.0012","22.842","0.002","90","","117.81","0.003","90","","5070.6","0.8","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 F3 I2 N3 O2 -","- C22 H22 F3 I2 N3 O2 -","- C176 H176 F24 I16 N24 O16 -","8","2","","Xu, Xingyu; Huang, Shiqing; Zhang, Zengyu; Cao, Lei; Yan, Xiaoyu","Halogen-bonding-induced diverse aggregation of 4,5-diiodo-1,2,3-triazolium salts with different anions","Beilstein Journal of Organic Chemistry","2020","16","","78","87","10.3762/bjoc.16.10","","","0.71073","MoKα","","0.1111","0.0914","","","0.213","0.2216","","","","","","1.132","","","","has coordinates,has disorder","258188","2020-10-21","18:00:00",""
"4037814","18.1509","0.0013","18.7643","0.0013","20.4941","0.0016","90","","92.369","0.002","90","","6974.1","0.9","150","2","149.97","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H60 B2 Cl8 F8 I4 N8 -","- C54 H60 B2 Cl8 F8 I4 N8 -","- C216 H240 B8 Cl32 F32 I16 N32 -","4","1","","Xu, Xingyu; Huang, Shiqing; Zhang, Zengyu; Cao, Lei; Yan, Xiaoyu","Halogen-bonding-induced diverse aggregation of 4,5-diiodo-1,2,3-triazolium salts with different anions","Beilstein Journal of Organic Chemistry","2020","16","","78","87","10.3762/bjoc.16.10","","","0.71073","MoKα","","0.1121","0.0965","","","0.202","0.2088","","","","","","1.152","","","","has coordinates,has disorder","301828","2025-08-20","10:33:21",""
"4037815","11.9179","0.001","27.124","0.002","8.6997","0.0007","90","","107.515","0.003","90","","2681.9","0.4","150","2","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 Cl2 I2 N3 O2 -","- C23 H27 Cl2 I2 N3 O2 -","- C92 H108 Cl8 I8 N12 O8 -","4","1","","Xu, Xingyu; Huang, Shiqing; Zhang, Zengyu; Cao, Lei; Yan, Xiaoyu","Halogen-bonding-induced diverse aggregation of 4,5-diiodo-1,2,3-triazolium salts with different anions","Beilstein Journal of Organic Chemistry","2020","16","","78","87","10.3762/bjoc.16.10","","","0.71073","MoKα","","0.0321","0.0258","","","0.0563","0.0582","","","","","","1.117","","","","has coordinates","301828","2025-08-20","10:33:21",""
"4038065","19.9143","0.0008","19.9143","0.0008","19.9143","0.0008","90","","90","","90","","7897.6","0.5","123","2","123","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C88 H108 B6 O12 -","- C87.999 H107.998 B6 O12 -","- C351.996 H431.99 B24 O48 -","4","0.166667","","Nagase, Mai; Kato, Kenta; Yagi, Akiko; Segawa, Yasutomo; Itami, Kenichiro","Six-fold C‒H borylation of hexa-peri-hexabenzocoronene","Beilstein Journal of Organic Chemistry","2020","16","","391","397","10.3762/bjoc.16.37","","x-ray","0.71073","MoKα","","0.1252","0.0733","","","0.2041","0.2378","","","","","","1.093","","","","has coordinates,has disorder","258194","2020-10-21","18:00:00",""
"4038068","12.4645","0.0005","12.9987","0.0005","16.7305","0.0005","83.723","0.003","73.112","0.003","86.634","0.003","2577.23","0.17","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 N2 O Si -","- C22.4 H22.4 N1.6 O0.8 Si0.8 -","- C112 H112 N8 O4 Si4 -","5","2.5","","Dong, Yafang; Sakai, Masahiko; Fuji, Kazuto; Sekine, Kohei; Kuninobu, Yoichiro","Synthesis of six-membered silacycles by borane-catalyzed double sila-Friedel‒Crafts reaction","Beilstein Journal of Organic Chemistry","2020","16","","409","414","10.3762/bjoc.16.39","","x-ray","0.71073","MoKα","","0.1067","0.087","","","0.2284","0.2555","","","","","","1.058","","","","has coordinates","258190","2020-10-21","18:00:00",""
"4038105","14.58","0.006","21.854","0.01","15.012","0.007","90","","94.439","0.008","90","","4769","4","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H66 B Cu F4 N6 -","- C50 H66 B Cu F4 N6 -","- C200 H264 B4 Cu4 F16 N24 -","4","1","","Lazreg, Faïma; Vasseur, Marie; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Aerobic synthesis of N-sulfonylamidines mediated by N-heterocyclic carbene copper(I) catalysts","Beilstein Journal of Organic Chemistry","2020","16","","482","491","10.3762/bjoc.16.43","","","0.71075","MoKα","","0.1081","0.0939","","","0.2495","0.2634","","","","","","0.973","","","","has coordinates","258202","2020-10-21","18:00:00",""
"4038106","12.7795","0.0014","14.5381","0.0015","16.8715","0.0019","88.893","0.006","76.742","0.005","67.949","0.005","2820.1","0.5","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C55.5 H79 B Cl2 Cu F4 N5 -","- C55.5 H73 B Cl2 Cu F4 N5 -","- C111 H146 B2 Cl4 Cu2 F8 N10 -","2","1","","Lazreg, Faïma; Vasseur, Marie; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Aerobic synthesis of N-sulfonylamidines mediated by N-heterocyclic carbene copper(I) catalysts","Beilstein Journal of Organic Chemistry","2020","16","","482","491","10.3762/bjoc.16.43","","","0.71075","MoKα","","0.1323","0.0757","","","0.1864","0.2153","","","","","","1.044","","","","has coordinates","258202","2020-10-21","18:00:00",""
"4038107","11.568","0.002","14.868","0.002","20.299","0.003","90","","103.248","0.003","90","","3398.4","0.9","93","","93","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H41 Cu F3 N3 O3 S -","- C33 H41 Cu F3 N3 O3 S -","- C132 H164 Cu4 F12 N12 O12 S4 -","4","1","","Lazreg, Faïma; Vasseur, Marie; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Aerobic synthesis of N-sulfonylamidines mediated by N-heterocyclic carbene copper(I) catalysts","Beilstein Journal of Organic Chemistry","2020","16","","482","491","10.3762/bjoc.16.43","","","0.71075","MoKα","","0.0495","0.0422","","","0.114","0.1176","","","","","","1.058","","","","has coordinates","258202","2020-10-21","18:00:00",""
"4038140","7.5972","0.0002","23.8844","0.0006","15.6911","0.0003","90","","90.8293","0.001","90","","2846.92","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H37 O3 P -","- C36 H37 O3 P -","- C144 H148 O12 P4 -","4","1","","Rahman, Md Shafiqur; Yoshikai, Naohiko","Synthesis of triphenylene-fused phosphole oxides via C–H functionalizations","Beilstein Journal of Organic Chemistry","2020","16","","524","529","10.3762/bjoc.16.48","","","0.71073","MoKα","","0.0788","0.0521","","","0.1011","0.1137","","","","","","1.075","","","","has coordinates","301828","2025-08-20","10:33:22",""
"4038167","33.9498","0.0008","21.4322","0.0005","12.1761","0.0003","90","","100.114","0.002","90","","8721.9","0.4","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C44 H65 B F2 N2 Si2 -","- C44 H65 B F2 N2 Si2 -","- C352 H520 B8 F16 N16 Si16 -","8","2","","Shimada, Takahide; Mori, Shigeki; Ishida, Masatoshi; Furuta, Hiroyuki","Regioselectively α- and β-alkynylated BODIPY dyes via gold(I)-catalyzed direct C-H functionalization and their photophysical properties.","Beilstein journal of organic chemistry","2020","16","","587","595","10.3762/bjoc.16.53","","","0.71073","MoKα","","0.0966","0.064","","","0.1419","0.1603","","","","","","1.002","","","","has coordinates","251799","2020-10-21","18:00:00",""
"4038168","19.9534","0.0004","8.04654","0.00017","25.0121","0.0005","90","","101.75","0.002","90","","3931.69","0.14","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C40 H57 B F2 N2 Si2 -","- C40 H57 B F2 N2 Si2 -","- C160 H228 B4 F8 N8 Si8 -","4","1","","Shimada, Takahide; Mori, Shigeki; Ishida, Masatoshi; Furuta, Hiroyuki","Regioselectively α- and β-alkynylated BODIPY dyes via gold(I)-catalyzed direct C-H functionalization and their photophysical properties.","Beilstein journal of organic chemistry","2020","16","","587","595","10.3762/bjoc.16.53","","","0.71073","MoKα","","0.0571","0.0462","","","0.1111","0.1174","","","","","","1.038","","","","has coordinates","301828","2025-08-20","10:33:22",""
"4038201","6.691","0.005","29.13","0.02","14.044","0.012","90","","97.183","0.017","90","","2716","4","103","","103","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H64 B4 Cl4 O8 -","- C56 H64 B4 Cl4 O8 -","- C112 H128 B8 Cl8 O16 -","2","0.5","","Kano, Haruka; Uehara, Keiji; Matsuo, Kyohei; Hayashi, Hironobu; Yamada, Hiroko; Aratani, Naoki","Direct borylation of terrylene and quaterrylene.","Beilstein journal of organic chemistry","2020","16","","621","627","10.3762/bjoc.16.58","","","0.71073","MoKα","","0.259","0.0847","","","0.1476","0.2254","","","","","","0.925","","","","has coordinates","251803","2020-10-21","18:00:00",""
"4038239","11.187","0.006","9.038","0.005","20.928","0.011","90","","97.133","0.017","90","","2100","2","210","","210","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 F2 N O4 S -","- C23 H19 F2 N O4 S -","- C92 H76 F8 N4 O16 S4 -","4","1","","Tan, Xing-Fa; Zhang, Fa-Guang; Ma, Jun-An","Asymmetric synthesis of CF<sub>2</sub>-functionalized aziridines by combined strong Brønsted acid catalysis.","Beilstein journal of organic chemistry","2020","16","","638","644","10.3762/bjoc.16.60","","","0.71073","MoKα","","0.0967","0.0525","","","0.1142","0.1388","","","","","","0.98","","","","has coordinates","301828","2025-08-20","10:33:22",""
"4038240","5.5826","0.0008","16.132","0.002","11.8958","0.0013","90","","90.12","0.05","90","","1071.3","0.2","170","","170","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H20 Cl F2 N O4 S -","- C23 H20 Cl F2 N O4 S -","- C46 H40 Cl2 F4 N2 O8 S2 -","2","1","","Tan, Xing-Fa; Zhang, Fa-Guang; Ma, Jun-An","Asymmetric synthesis of CF<sub>2</sub>-functionalized aziridines by combined strong Brønsted acid catalysis.","Beilstein journal of organic chemistry","2020","16","","638","644","10.3762/bjoc.16.60","","","0.71073","MoKα","","0.0685","0.0434","","","0.0836","0.0982","","","","","","1.035","","","","has coordinates","301828","2025-08-20","10:33:22",""
"4038255","5.95332","0.00014","10.881","0.0002","13.1778","0.0003","113.8","0.002","90.4964","0.0019","98.6123","0.0018","769.98","0.03","125","","125","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H28 F2 -","- C17 H28 F2 -","- C34 H56 F4 -","2","1","","Fang, Zeguo; Al-Maharik, Nawaf; Kirsch, Peer; Bremer, Matthias; Slawin, Alexandra M. Z.; O'Hagan, David","Synthesis of organic liquid crystals containing selectively fluorinated cyclopropanes.","Beilstein journal of organic chemistry","2020","16","","674","680","10.3762/bjoc.16.65","","","1.54184","CuKα","","0.0522","0.0488","","","0.2293","0.242","","","","","","1.162","","","","has coordinates","301828","2025-08-20","10:33:22",""
"4038256","17.274","0.004","7.4408","0.0015","27.913","0.006","90","","100.62","0.03","90","","3526.3","1.4","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H14 O2 -","- C29 H14 O2 -","- C232 H112 O16 -","8","2","","Yakiyama, Yumi; Hishikawa, Shota; Sakurai, Hidehiro","Synthesis of C<sub>70</sub>-fragment buckybowls bearing alkoxy substituents.","Beilstein journal of organic chemistry","2020","16","","681","690","10.3762/bjoc.16.66","","","0.71073","MoKα","","0.3593","0.1217","","","0.1498","0.2096","","","","","","1","","","","has coordinates","301828","2025-08-20","10:33:22",""
"4038257","17.382","0.004","7.2895","0.0015","28.978","0.006","90","","90","","90","","3671.7","1.4","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H18 O2 -","- C30 H18 O2 -","- C240 H144 O16 -","8","1","","Yakiyama, Yumi; Hishikawa, Shota; Sakurai, Hidehiro","Synthesis of C<sub>70</sub>-fragment buckybowls bearing alkoxy substituents.","Beilstein journal of organic chemistry","2020","16","","681","690","10.3762/bjoc.16.66","","","0.71073","MoKα","","0.424","0.1319","","","0.2925","0.4008","","","","","","0.903","","","","has coordinates","301828","2025-08-20","10:33:22",""
"4038270","6.3466","0.00018","12.0072","0.0003","24.5409","0.0007","90","","90","","90","","1870.14","0.09","100","1","100","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H25 D2 F N O8 P -","- C12 H25 D2 F N O8 P -","- C48 H100 D8 F4 N4 O32 P4 -","4","1","","Kaźmierczak, Marcin; Koroniak, Henryk","Efficient synthesis of dipeptide analogues of α-fluorinated β-aminophosphonates.","Beilstein journal of organic chemistry","2020","16","","756","762","10.3762/bjoc.16.69","","x-ray","0.71073","MoKα","","0.0484","0.0406","","","0.0727","0.0753","","","","","","1.056","","","","has coordinates","301828","2025-08-20","10:33:22",""
"4038273","10.5794","0.0009","12.0811","0.001","31.213","0.003","90.007","0.002","94.017","0.002","90.367","0.002","3979.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","9-((10,20-dihexyl-15-phenylporphyrinato-5-yl)ethynyl)zinc(II)-10-((10,20-dihexyl-15-phenylporphyrinato-5-yl)ethynyl) nickel(II) triptycene","","- C100 H90 N8 Ni Zn -","- C100 H90 N8 Ni Zn -","- C200 H180 N16 Ni2 Zn2 -","2","1","","Locke, Gemma M.; Flanagan, Keith J.; Senge, Mathias O.","Towards triptycene functionalization and triptycene-linked porphyrin arrays.","Beilstein journal of organic chemistry","2020","16","","763","777","10.3762/bjoc.16.70","","x-ray","0.71073","MoKα","","0.092","0.0695","","","0.1631","0.1797","","","","","","1.053","","","","has coordinates,has disorder","251797","2020-10-21","18:00:00",""
"4038274","10.9626","0.0004","11.864","0.0004","12.8821","0.0005","90.244","0.002","93.352","0.002","98.157","0.002","1655.53","0.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","9-[(Triisopropylsilyl)ethynyl]-10-[(trimethylsilyl)ethynyl]-triptycene","","- C18 H21 Si -","- C18 H21 Si -","- C72 H84 Si4 -","4","2","","Locke, Gemma M.; Flanagan, Keith J.; Senge, Mathias O.","Towards triptycene functionalization and triptycene-linked porphyrin arrays.","Beilstein journal of organic chemistry","2020","16","","763","777","10.3762/bjoc.16.70","","x-ray","1.54178","CuKα","","0.0972","0.0808","","","0.236","0.2531","","","","","","1.058","","","","has coordinates,has disorder","251797","2020-10-21","18:00:00",""
"4038400","9.851","0.003","9.897","0.003","12.535","0.004","109.173","0.003","110.356","0.003","94.319","0.003","1057.1","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H18 N4 Se2 -","- C26 H18 N4 Se2 -","- C52 H36 N8 Se4 -","2","1","","Matsumura, Mio; Takahashi, Tsutomu; Yamauchi, Hikari; Sakuma, Shunsuke; Hayashi, Yukako; Hyodo, Tadashi; Obata, Tohru; Yamaguchi, Kentaro; Fujiwara, Yasuyuki; Yasuike, Shuji","Synthesis and anticancer activity of bis(2-arylimidazo[1,2-a]pyridin-3-yl) selenides and diselenides: the copper-catalyzed tandem C–H selenation of 2-arylimidazo[1,2-a]pyridine with selenium","Beilstein Journal of Organic Chemistry","2020","16","","1075","1083","10.3762/bjoc.16.94","","","0.71073","MoKα","","0.0821","0.0787","","","0.2577","0.2592","","","","","","1.11","","","","has coordinates","301828","2025-08-20","10:33:22",""
"4038401","12.1774","0.0009","13.8146","0.0011","12.5652","0.001","90","","102.665","0.002","90","","2062.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 N4 Se -","- C26 H18 N4 Se -","- C104 H72 N16 Se4 -","4","1","","Matsumura, Mio; Takahashi, Tsutomu; Yamauchi, Hikari; Sakuma, Shunsuke; Hayashi, Yukako; Hyodo, Tadashi; Obata, Tohru; Yamaguchi, Kentaro; Fujiwara, Yasuyuki; Yasuike, Shuji","Synthesis and anticancer activity of bis(2-arylimidazo[1,2-a]pyridin-3-yl) selenides and diselenides: the copper-catalyzed tandem C–H selenation of 2-arylimidazo[1,2-a]pyridine with selenium","Beilstein Journal of Organic Chemistry","2020","16","","1075","1083","10.3762/bjoc.16.94","","","1.54178","CuKα","","0.0237","0.0226","","","0.0594","0.0603","","","","","","1.05","","","","has coordinates","301828","2025-08-20","10:33:23",""
"4038412","20.6034","0.0008","20.133","0.0008","22.4357","0.0008","90","","91.989","0.001","90","","9300.9","0.6","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C90 H98 N8 O33 S8 -","- C90 H98 N8 O33 S8 -","- C360 H392 N32 O132 S32 -","4","1","","Kuznetsova, Svetlana A.; Gak, Alexander S.; Nelyubina, Yulia V.; Larionov, Vladimir A.; Li, Han; North, Michael; Zhereb, Vladimir P.; Smol'yakov, Alexander F.; Dmitrienko, Artem O.; Medvedev, Michael G.; Gerasimov, Igor S.; Saghyan, Ashot S.; Belokon, Yuri N.","The charge-assisted hydrogen-bonded organic framework (CAHOF) self-assembled from the conjugated acid of tetrakis(4-aminophenyl)methane and 2,6-naphthalenedisulfonate as a new class of recyclable Brønsted acid catalysts","Beilstein Journal of Organic Chemistry","2020","16","","1124","1134","10.3762/bjoc.16.99","","","0.71073","MoKα","","0.0852","0.0578","","","0.1437","0.1719","","","","","","1.025","","","","has coordinates,has disorder","301828","2025-08-20","10:33:23",""
"4038413","13.416","0.007","13.887","0.007","22.73","0.012","88.564","0.008","87.351","0.008","89.836","0.009","4229","4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H40 N4 O12 S4 -","- C45 H40 N4 O12 S4 -","- C180 H160 N16 O48 S16 -","4","2","","Kuznetsova, Svetlana A.; Gak, Alexander S.; Nelyubina, Yulia V.; Larionov, Vladimir A.; Li, Han; North, Michael; Zhereb, Vladimir P.; Smol'yakov, Alexander F.; Dmitrienko, Artem O.; Medvedev, Michael G.; Gerasimov, Igor S.; Saghyan, Ashot S.; Belokon, Yuri N.","The charge-assisted hydrogen-bonded organic framework (CAHOF) self-assembled from the conjugated acid of tetrakis(4-aminophenyl)methane and 2,6-naphthalenedisulfonate as a new class of recyclable Brønsted acid catalysts","Beilstein Journal of Organic Chemistry","2020","16","","1124","1134","10.3762/bjoc.16.99","","","0.71073","MoKα","","0.1772","0.104","","","0.2283","0.2786","","","","","","1.081","","","","has coordinates","301828","2025-08-20","10:33:23",""
"4038503","9.5001","0.0003","10.163","0.0003","15.8945","0.0006","101.392","0.003","102.647","0.003","100.795","0.003","1424.6","0.09","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H32 N2 -","- C38 H32 N2 -","- C76 H64 N4 -","2","1","","Tambe, Shrikant D.; Min, Kwan Hong; Iqbal, Naeem; Cho, Eun Jin","Distinctive reactivity of <i>N</i>-benzylidene-[1,1'-biphenyl]-2-amines under photoredox conditions.","Beilstein journal of organic chemistry","2020","16","","1335","1342","10.3762/bjoc.16.114","","x-ray","1.54184","CuKα","","0.0726","0.065","","","0.1917","0.2008","","","","","","1.081","","","","has coordinates","302047","2025-09-07","14:15:43",""
"4038522","5.258","0.004","8.81","0.006","12.257","0.009","99.991","0.009","98.639","0.008","95.953","0.008","547.9","0.7","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H11 N3 S2 -","- C10 H11 N3 S2 -","- C20 H22 N6 S4 -","2","1","","Kang, Gui-Feng; Zhang, Gang","One-pot synthesis of 1,3,5-triazine-2,4-dithione derivatives via three-component reactions","Beilstein Journal of Organic Chemistry","2020","16","","1447","1455","10.3762/bjoc.16.120","","","0.71073","MoKα","","0.0951","0.0898","","","0.2374","0.2394","","","","","","1.181","","","","has coordinates","301828","2025-08-20","10:33:23",""
"4038540","9.928","0.003","7.168","0.002","21.272","0.007","90","","92.812","0.009","90","","1512","0.8","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H15 Br F3 N O2 -","- C14 H15 Br F3 N O2 -","- C56 H60 Br4 F12 N4 O8 -","4","2","","Davies, Alyn T.; Greenhalgh, Mark D.; Slawin, Alexandra M. Z.; Smith, Andrew D.","NHC-catalyzed enantioselective synthesis of β-trifluoromethyl-β-hydroxyamides","Beilstein Journal of Organic Chemistry","2020","16","","1572","1578","10.3762/bjoc.16.129","","","0.71075","MoKα","","0.0414","0.0378","","","0.0875","0.106","","","","","","0.874","","","","has coordinates","301828","2025-08-20","10:33:23",""
"4038541","9.5366","0.0005","11.6279","0.0007","14.9396","0.0009","99.002","0.005","108.001","0.005","90.007","0.004","1554.09","0.16","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H42 Fe N3 O3 -","- C36 H42 Fe N3 O3 -","- C72 H84 Fe2 N6 O6 -","2","1","","Lagesse, Natalie; Pisciottani, Luca; Douarre, Maxime; Godard, Pascale; Kauffmann, Brice; Martí-Centelles, Vicente; McClenaghan, Nathan D.","Five-component, one-pot synthesis of an electroactive rotaxane comprising a bisferrocene macrocycle","Beilstein Journal of Organic Chemistry","2020","16","","1564","1571","10.3762/bjoc.16.128","","x-ray","1.54184","CuKα","","0.0556","0.0454","","","0.1116","0.118","","","","","","1.041","","","","has coordinates","258200","2020-10-21","18:00:00",""
"4038672","10.0069","0.0003","14.7854","0.0005","16.3253","0.0005","90","","90","","90","","2415.43","0.13","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 F N2 O3 -","- C27 H27 F N2 O3 -","- C108 H108 F4 N8 O12 -","4","1","","Wang, Yuqing; Wang, Gaigai; Peshkov, Anatoly A.; Yao, Ruwei; Hasan, Muhammad; Zaman, Manzoor; Liu, Chao; Kashtanov, Stepan; Pereshivko, Olga P.; Peshkov, Vsevolod A.","Controlling the stereochemistry in 2-oxo-aldehyde-derived Ugi adducts through the cinchona alkaloid-promoted electrophilic fluorination.","Beilstein journal of organic chemistry","2020","16","","1963","1973","10.3762/bjoc.16.163","","x-ray","1.54178","CuKα","","0.0342","0.0334","","","0.087","0.0883","","","","","","1.101","","","","has coordinates","302047","2025-09-07","14:15:44",""
"4038673","13.199","0.002","11.712","0.002","15.424","0.003","90","","91.56","0.009","90","","2383.5","0.7","120","","120.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 F N2 O3 -","- C27 H27 F N2 O3 -","- C108 H108 F4 N8 O12 -","4","1","","Wang, Yuqing; Wang, Gaigai; Peshkov, Anatoly A.; Yao, Ruwei; Hasan, Muhammad; Zaman, Manzoor; Liu, Chao; Kashtanov, Stepan; Pereshivko, Olga P.; Peshkov, Vsevolod A.","Controlling the stereochemistry in 2-oxo-aldehyde-derived Ugi adducts through the cinchona alkaloid-promoted electrophilic fluorination.","Beilstein journal of organic chemistry","2020","16","","1963","1973","10.3762/bjoc.16.163","","x-ray","1.54178","CuKα","","0.081","0.0637","","","0.1547","0.1783","","","","","","1.055","","","","has coordinates","301828","2025-08-20","10:33:23",""
"4038715","9.6607","0.0009","11.0178","0.001","17.0785","0.0017","90","","90","","90","","1817.8","0.3","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dimethyl (2-hydroxy-2,6-dimethyl-5-nitro-4-phenyltetrahydro-2H-pyran-3-yl)phosphonate","","- C15 H22 N O7 P -","- C15 H22 N O7 P -","- C60 H88 N4 O28 P4 -","4","1","","Reznikov, Alexander N.; Nikerov, Dmitry S.; Sibiryakova, Anastasiya E.; Rybakov, Victor B.; Golovin, Evgeniy V.; Klimochkin, Yuri N.","Convenient access to pyrrolidin-3-ylphosphonic acids and tetrahydro-2H-pyran-3-ylphosphonates with multiple contiguous stereocenters from nonracemic adducts of a Ni(II)-catalyzed Michael reaction","Beilstein Journal of Organic Chemistry","2020","16","","2073","2079","10.3762/bjoc.16.174","","x-ray","1.54184","Cukα","","0.0402","0.0335","","","0.08","0.0835","","","","","","1.026","","","","has coordinates","301828","2025-08-20","10:33:23",""
"4038899","31.5592","0.0013","12.8309","0.0005","8.3107","0.0003","90","","94.379","0.003","90","","3355.5","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H35 N O7 S8 -","- C28 H35 N O7 S8 -","- C112 H140 N4 O28 S32 -","4","1","","Hupatz, Henrik; Gaedke, Marius; Schröder, Hendrik V; Beerhues, Julia; Valkonen, Arto; Klautzsch, Fabian; Müller, Sebastian; Witte, Felix; Rissanen, Kari; Sarkar, Biprajit; Schalley, Christoph A.","Thermodynamic and electrochemical study of tailor-made crown ethers for redox-switchable (pseudo)rotaxanes","Beilstein Journal of Organic Chemistry","2020","16","","2576","2588","10.3762/bjoc.16.209","","","1.54184","CuKα","","0.0528","0.0377","","","0.0807","0.086","","","","","","1.034","","","","has coordinates","301828","2025-08-20","10:33:24",""
"4038900","19.695","0.004","9.1282","0.0016","21.618","0.004","90","","96.451","0.011","90","","3861.9","1.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C46 H46 N2 O12 -","- C46 H46 N2 O12 -","- C184 H184 N8 O48 -","4","2","","Hupatz, Henrik; Gaedke, Marius; Schröder, Hendrik V; Beerhues, Julia; Valkonen, Arto; Klautzsch, Fabian; Müller, Sebastian; Witte, Felix; Rissanen, Kari; Sarkar, Biprajit; Schalley, Christoph A.","Thermodynamic and electrochemical study of tailor-made crown ethers for redox-switchable (pseudo)rotaxanes","Beilstein Journal of Organic Chemistry","2020","16","","2576","2588","10.3762/bjoc.16.209","","","1.54178","CuKα","","0.0579","0.0449","","","0.0998","0.1064","","","","","","1.031","","","","has coordinates,has disorder","301828","2025-08-20","10:33:24",""
"4038901","13.6717","0.0013","9.8821","0.001","28.639","0.003","90","","90.657","0.004","90","","3869","0.7","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H50 N4 O10 -","- C44 H50 N4 O10 -","- C176 H200 N16 O40 -","4","1","","Hupatz, Henrik; Gaedke, Marius; Schröder, Hendrik V; Beerhues, Julia; Valkonen, Arto; Klautzsch, Fabian; Müller, Sebastian; Witte, Felix; Rissanen, Kari; Sarkar, Biprajit; Schalley, Christoph A.","Thermodynamic and electrochemical study of tailor-made crown ethers for redox-switchable (pseudo)rotaxanes","Beilstein Journal of Organic Chemistry","2020","16","","2576","2588","10.3762/bjoc.16.209","","","0.71073","MoKα","","0.0664","0.0522","","","0.1187","0.1254","","","","","","1.088","","","","has coordinates,has disorder","301828","2025-08-20","10:33:24",""
"4038923","11.0745","0.0008","4.6972","0.0003","15.6995","0.0009","90","","100.785","0.006","90","","802.25","0.09","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate","","- C8 H7 N O2 S -","- C8 H7 N O2 S -","- C32 H28 N4 O8 S4 -","4","1","","Vogt, Astrid; Henne, Florian; Wetzel, Christoph; Mena-Osteritz, Elena; Bäuerle, Peter","Synthesis and characterization of S,N-heterotetracenes","Beilstein Journal of Organic Chemistry","2020","16","","2636","2644","10.3762/bjoc.16.214","","x-ray","0.71073","MoKα","","0.0513","0.0367","","","0.0757","0.0855","","","","","","1.032","","","","has coordinates","301828","2025-08-20","10:33:24",""
"4038936","7.1372","0.0006","7.2212","0.0005","18.9343","0.0012","89.548","0.005","85.809","0.006","69.902","0.007","913.83","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N5 O3 S -","- C18 H19 N5 O3 S -","- C36 H38 N10 O6 S2 -","2","1","","Ilkin, Vladimir; Berseneva, Vera; Beryozkina, Tetyana; Glukhareva, Tatiana; Dianova, Lidia; Dehaen, Wim; Seliverstova, Eugenia; Bakulev, Vasiliy","Regioselective synthesis of heterocyclic N-sulfonyl amidines from heteroaromatic thioamides and sulfonyl azides","Beilstein Journal of Organic Chemistry","2020","16","","2937","2947","10.3762/bjoc.16.243","","","0.71073","MoKα","","0.0943","0.0583","","","0.1229","0.1454","","","","","","1.006","","","","has coordinates","301828","2025-08-20","10:33:24",""
"4038937","10.21","0.006","7.242","0.006","26.864","0.015","90","","97.45","0.05","90","","1970","2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 N4 O5 S -","- C17 H14 N4 O5 S -","- C68 H56 N16 O20 S4 -","4","1","","Ilkin, Vladimir; Berseneva, Vera; Beryozkina, Tetyana; Glukhareva, Tatiana; Dianova, Lidia; Dehaen, Wim; Seliverstova, Eugenia; Bakulev, Vasiliy","Regioselective synthesis of heterocyclic N-sulfonyl amidines from heteroaromatic thioamides and sulfonyl azides","Beilstein Journal of Organic Chemistry","2020","16","","2937","2947","10.3762/bjoc.16.243","","","1.54184","CuKα","","0.0544","0.0462","","","0.1285","0.1316","","","","","","1.009","","","","has coordinates","301828","2025-08-20","10:33:24",""
"4038938","9.4172","0.0008","11.4155","0.001","13.0409","0.0009","97.171","0.006","96.461","0.006","109.787","0.008","1290.7","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H27 N7 O7 S -","- C23 H27 N7 O7 S -","- C46 H54 N14 O14 S2 -","2","1","","Ilkin, Vladimir; Berseneva, Vera; Beryozkina, Tetyana; Glukhareva, Tatiana; Dianova, Lidia; Dehaen, Wim; Seliverstova, Eugenia; Bakulev, Vasiliy","Regioselective synthesis of heterocyclic N-sulfonyl amidines from heteroaromatic thioamides and sulfonyl azides","Beilstein Journal of Organic Chemistry","2020","16","","2937","2947","10.3762/bjoc.16.243","","","0.71073","MoKα","","0.1325","0.0632","","","0.1537","0.2221","","","","","","1.008","","","","has coordinates","301828","2025-08-20","10:33:24",""
"4038939","17.4426","0.0006","19.3528","0.0008","15.3931","0.0004","90","","96.8","0.001","90","","5159.6","0.3","170","2","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H70 Br O10 -","- C56 H70 Br O10 -","- C224 H280 Br4 O40 -","4","1","","Sheng, Xinru; Li, Errui; Huang, Feihe","Construction of pillar[4]arene[1]quinone–1,10-dibromodecane pseudorotaxanes in solution and in the solid state","Beilstein Journal of Organic Chemistry","2020","16","","2954","2959","10.3762/bjoc.16.245","","","0.71073","MoKα","","0.0705","0.048","","","0.1227","0.135","","","","","","1.046","","","","has coordinates","301828","2025-08-20","10:33:24",""
"4038941","13.2686","0.0003","7.4126","0.0002","13.3406","0.0003","90","","93.271","0.001","90","","1309.97","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 F4 N S -","- C13 H15 F4 N S -","- C52 H60 F16 N4 S4 -","4","1","","Supranovich, Vyacheslav I.; Dmitriev, Igor A.; Dilman, Alexander D.","Synthesis of tetrafluorinated piperidines from nitrones via a visible-light-promoted annelation reaction","Beilstein Journal of Organic Chemistry","2020","16","","3104","3108","10.3762/bjoc.16.260","","","0.71073","MoKα","","0.0509","0.0364","","","0.0896","0.0984","","","","","","1.023","","","","has coordinates,has disorder","260223","2020-12-30","06:28:54",""
"4038942","13.413","0.0003","7.3746","0.0002","13.884","0.0003","90","","90.257","0.001","90","","1373.33","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 F4 N O2 -","- C14 H15 F4 N O2 -","- C56 H60 F16 N4 O8 -","4","1","","Supranovich, Vyacheslav I.; Dmitriev, Igor A.; Dilman, Alexander D.","Synthesis of tetrafluorinated piperidines from nitrones via a visible-light-promoted annelation reaction","Beilstein Journal of Organic Chemistry","2020","16","","3104","3108","10.3762/bjoc.16.260","","","0.71073","MoKα","","0.0606","0.0406","","","0.1097","0.1205","","","","","","1.046","","","","has coordinates","301828","2025-08-20","10:33:24",""
"4063193","10.642","0.005","11.231","0.007","12.641","0.006","76.21","0.03","73.58","0.02","70.06","0.02","1345.4","1.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","2","(4,6 dimethyl-2-(dimethylaminomethyl)phenyl lithium)2 . et2O","","- C26 H42 Li2 N2 O -","- C26 H42 Li2 N2 O -","- C52 H84 Li4 N4 O2 -","2","1","","Johannes Belzner; Dirk Schär; Uwe Dehnert; Mathias Noltemeyer","Synthesis and Structure of Aryllithium Compounds Containing ortho-Directing (Dimethylamino)methyl and Trimethylhydrazino Substituents","Organometallics","1997","16","2","285","288","10.1021/om960858q","","","0.71073","MoKα","","0.0979","0.0646","","0.1981","0.1627","","","","1.021","1.041","1.041","","","","","has coordinates","178526","2020-10-21","18:00:00",""
"4063194","12.106","0.002","13.654","0.003","17.189","0.003","90","","110.22","0.02","90","","2666.2","0.9","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","6","(2-(trimethylhydrazino)phenyl lithium)2 TMEDA","","- C24 H42 Li2 N6 -","- C24 H42 Li2 N6 -","- C96 H168 Li8 N24 -","4","0.5","","Johannes Belzner; Dirk Schär; Uwe Dehnert; Mathias Noltemeyer","Synthesis and Structure of Aryllithium Compounds Containing ortho-Directing (Dimethylamino)methyl and Trimethylhydrazino Substituents","Organometallics","1997","16","2","285","288","10.1021/om960858q","","","0.71073","MoKα","","0.0792","0.0619","","0.1794","0.1556","","","","1.034","1.059","1.059","","","","","has coordinates","178526","2020-10-21","18:00:00",""
"4063223","8.519","0.0006","9.2733","0.0007","15.679","0.0007","90","","104.06","0.005","90","","1201.5","0.1","20","","20","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","?","- C40 H64 Cl4 Ir4 S4 -","- C40 H64 Cl4 Ir4 S4 -","","","","Zhen Tang; Yasuo Nomura; Youichi Ishii; Yasushi Mizobe; Masanobu Hidai","The Hydrosulfido-Bridged Diiridium and Dirhodium Complexes [Cp*MCl(μ2-SH)2MCp*Cl] (M =Ir, Rh; Cp* =μ5-C5Me5) as Versatile Precursors for Tri- and Tetranuclear Sulfido Clusters","Organometallics","1997","16","2","151","154","10.1021/om960769d","","","0.7107","MoKalpha","","","0.033","","","0.024","","","","","2.18","2.18","","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063224","8.8238","0.0009","15.946","0.002","8.693","0.001","103.753","0.009","94.079","0.009","92","0.009","1183.3","0.2","20","","20","","","","","","","","","5","P -1","-P 1","2","","","","?","- C40 H64 Cl4 Rh4 S4 -","- C40 H64 Cl4 Rh4 S4 -","","","","Zhen Tang; Yasuo Nomura; Youichi Ishii; Yasushi Mizobe; Masanobu Hidai","The Hydrosulfido-Bridged Diiridium and Dirhodium Complexes [Cp*MCl(μ2-SH)2MCp*Cl] (M =Ir, Rh; Cp* =μ5-C5Me5) as Versatile Precursors for Tri- and Tetranuclear Sulfido Clusters","Organometallics","1997","16","2","151","154","10.1021/om960769d","","","0.7107","MoKalpha","","","0.047","","","0.038","","","","","2.66","2.66","","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063225","10.737","0.003","11.115","0.003","32.89","0.004","89","","90.19","0.02","89","","3924","2","20","","20","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","?","- C144 H216 Cl8 Ir8 Rh8 S8 -","- C144 H216 Cl8 Ir8 Rh8 S8 -","","","","Zhen Tang; Yasuo Nomura; Youichi Ishii; Yasushi Mizobe; Masanobu Hidai","The Hydrosulfido-Bridged Diiridium and Dirhodium Complexes [Cp*MCl(μ2-SH)2MCp*Cl] (M =Ir, Rh; Cp* =μ5-C5Me5) as Versatile Precursors for Tri- and Tetranuclear Sulfido Clusters","Organometallics","1997","16","2","151","154","10.1021/om960769d","","","0.7107","MoKalpha","","","0.036","","","0.03","","","","","1.56","1.56","","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063226","12.057","0.001","12.521","0.002","14.701","0.001","90","","93.219","0.007","90","","2215.8","0.3","20","","20","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","?","- C78 H94 Cl8 Ir4 P2 Pd2 S4 -","- C78 H94 Cl8 Ir4 P2 Pd2 S4 -","","","","Zhen Tang; Yasuo Nomura; Youichi Ishii; Yasushi Mizobe; Masanobu Hidai","The Hydrosulfido-Bridged Diiridium and Dirhodium Complexes [Cp*MCl(μ2-SH)2MCp*Cl] (M =Ir, Rh; Cp* =μ5-C5Me5) as Versatile Precursors for Tri- and Tetranuclear Sulfido Clusters","Organometallics","1997","16","2","151","154","10.1021/om960769d","","","0.7107","MoKalpha","","","0.038","","","0.028","","","","","2.1","2.1","","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4078325","22.489","0.008","15.388","0.003","18.536","0.007","90","","132.53","0.02","90","","4727","3","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,6-heptadiene(1,3-bis{bis(isopropyl)phosphine}propane)iron(0)","","- C22 H46 Fe P2 -","- C22 H43 Fe P2 -","- C176 H344 Fe8 P16 -","8","1","","Geier, S.; Goddard, R.; Holle, S.; Jolly, P. W.; Krüger, C.; Lutz, F.","Reaction of Unconjugated Dienes with [Fe(R2P(CH2)nPR2)] Species†","Organometallics","1997","16","8","1612","","10.1021/om9610004","","","0.71069","MoKα","","0.0558","0.0501","","0.1314","0.1251","","","","1.048","1.06","1.06","","","","","has coordinates,has disorder","178672","2020-10-21","18:00:00",""
"4078326","9.164","0.007","14.396","0.009","16.035","0.007","90","","92.75","0.04","90","","2113","2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,5-hexadienebis(triethylphosphine)iron(0)","","- C18 H40 Fe P2 -","- C18 H40 Fe P2 -","- C72 H160 Fe4 P8 -","4","1","","Geier, S.; Goddard, R.; Holle, S.; Jolly, P. W.; Krüger, C.; Lutz, F.","Reaction of Unconjugated Dienes with [Fe(R2P(CH2)nPR2)] Species†","Organometallics","1997","16","8","1612","","10.1021/om9610004","","","0.71069","MoKα","","0.0599","0.0451","","0.1416","0.1274","","","","1.02","1.024","1.024","","","","","has coordinates","301830","2025-08-20","13:17:26",""
"4078336","13.677","0.002","9.723","0.0012","19.898","0.002","90","","108.908","0.009","90","","2503.3","0.6","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H20 B F10 N -","- C29 H20 B F10 N -","- C116 H80 B4 F40 N4 -","4","1","","Duchateau, Robbert; Lancaster, Simon J.; Thornton-Pett, Mark; Bochmann, Manfred","Synthesis of Cyclopentadienyl-, Indenyl-, and Fluorenylbis(pentafluorophenyl)boranes as Ligands in Titanium and Zirconium Half-Sandwich Complexes. The Crystal Structures of C13H9B(C6F5)2·t-BuNH2, C13H8SiMe3B(C6F5)2, and {η5-C5H4B(C6F5)2}TiCl3","Organometallics","1997","16","23","4995","","10.1021/om970433j","","","1.54184","CuKα","","0.0442","0.0434","","0.1164","0.1155","","","","1.135","1.143","1.143","","","","","has coordinates","301830","2025-08-20","13:17:26",""
"4078337","7.8748","0.0008","8.6936","0.0009","20.896","0.002","96.057","0.01","98.008","0.01","98.856","0.009","1387.9","0.2","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C31.5 H21 B F10 Si -","- C31.5 H19.5 B F10 Si -","- C63 H39 B2 F20 Si2 -","2","1","","Duchateau, Robbert; Lancaster, Simon J.; Thornton-Pett, Mark; Bochmann, Manfred","Synthesis of Cyclopentadienyl-, Indenyl-, and Fluorenylbis(pentafluorophenyl)boranes as Ligands in Titanium and Zirconium Half-Sandwich Complexes. The Crystal Structures of C13H9B(C6F5)2·t-BuNH2, C13H8SiMe3B(C6F5)2, and {η5-C5H4B(C6F5)2}TiCl3","Organometallics","1997","16","23","4995","","10.1021/om970433j","","","1.54184","CuKα","","0.06","0.0578","","0.1448","0.1425","","","","1.095","1.113","1.113","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078339","10.1617","0.0006","19.0088","0.0011","10.396","0.0008","90","","104.342","0.006","90","","1945.5","0.2","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H4 B Cl3 F10 Ti -","- C17 H4 B Cl3 F10 Ti -","- C68 H16 B4 Cl12 F40 Ti4 -","4","1","","Duchateau, Robbert; Lancaster, Simon J.; Thornton-Pett, Mark; Bochmann, Manfred","Synthesis of Cyclopentadienyl-, Indenyl-, and Fluorenylbis(pentafluorophenyl)boranes as Ligands in Titanium and Zirconium Half-Sandwich Complexes. The Crystal Structures of C13H9B(C6F5)2·t-BuNH2, C13H8SiMe3B(C6F5)2, and {η5-C5H4B(C6F5)2}TiCl3","Organometallics","1997","16","23","4995","","10.1021/om970433j","","","0.71073","MoKα","","0.0326","0.0258","","0.0668","0.0617","","","","1.09","1.091","1.091","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078340","12.072","0.001","14.47","0.002","14.999","0.002","104.11","0.01","99.663","0.008","93.773","0.009","2489.3","0.5","296","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H53 Cl3 F6 Fe2 O3 P2 Ru -","- C49 H53 Cl3 F6 Fe2 O3 P2 Ru -","- C98 H106 Cl6 F12 Fe4 O6 P4 Ru2 -","2","1","","Štěpnička, Petr; Gyepes, Róbert; Lavastre, Olivier; Dixneuf, Pierre H.","Ferrocene-Containing (η6-Hexamethylbenzene)ruthenium(II) Methoxycarbenes: Synthesis, Structure, and Electrochemistry","Organometallics","1997","16","23","5089","","10.1021/om970478k","","","0.71073","MoKα","","0.1749","0.0693","","0.208","0.163","","","","1.034","1.143","1.143","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078341","10.411","0.002","12.931","0.003","34.344","0.007","90","0","98.72","0.02","90","0","4570.1","1.7","25","","143","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H64 O4 Zr -","- C59 H31 O4 Zr -","- C236 H124 O16 Zr4 -","4","1","","Caselli, Alessandro; Giannini, Luca; Solari, Euro; Floriani, Carlo; Re, Nazzareno; Chiesi-Villa, Angiola; Rizzoli, Corrado","Zirconium−Butadiene Bonded over a Planar Set of Oxygens Derived from Calix[4]arene and Its Behavior as a Source of Zirconium(II)","Organometallics","1997","16","25","5457","","10.1021/om970624m","","","0.71073","MoKα","","0.2104","0.0792","","0.3407","0.215","","","","1.045","1.174","1.174","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078342","14.684","0.002","17.992","0.002","13.033","0.002","109.64","0.01","103.51","0.01","86.55","0.01","3152.6","0.8","25","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C71 H79 O4 Zr -","- C85 H41 O4 Zr -","- C170 H82 O8 Zr2 -","2","1","","Caselli, Alessandro; Giannini, Luca; Solari, Euro; Floriani, Carlo; Re, Nazzareno; Chiesi-Villa, Angiola; Rizzoli, Corrado","Zirconium−Butadiene Bonded over a Planar Set of Oxygens Derived from Calix[4]arene and Its Behavior as a Source of Zirconium(II)","Organometallics","1997","16","25","5457","","10.1021/om970624m","","","1.54178","CuKα","","0.2206","0.0803","","0.249","0.2123","","","","1.098","1.228","1.228","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078343","28.846","0.005","17.387","0.003","30.241","0.005","90","0","90.19","0.03","90","0","15167","4","25","","143","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C91.5 H104 O4 Zr -","- C98 H92 O4 Zr -","- C784 H736 O32 Zr8 -","8","1","","Caselli, Alessandro; Giannini, Luca; Solari, Euro; Floriani, Carlo; Re, Nazzareno; Chiesi-Villa, Angiola; Rizzoli, Corrado","Zirconium−Butadiene Bonded over a Planar Set of Oxygens Derived from Calix[4]arene and Its Behavior as a Source of Zirconium(II)","Organometallics","1997","16","25","5457","","10.1021/om970624m","","","1.54178","CuKα","","0.1255","0.0672","","0.2318","0.1971","","","","1.069","1.145","1.145","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078344","13.58","0.002","22.24","0.003","37.707","0.005","90","0","98.48","0.02","90","0","11264","3","25","","143","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C132 H158 N2 O8 Zr2 -","- C150 H124 N2 O8 Zr2 -","- C600 H496 N8 O32 Zr8 -","4","0.5","","Caselli, Alessandro; Giannini, Luca; Solari, Euro; Floriani, Carlo; Re, Nazzareno; Chiesi-Villa, Angiola; Rizzoli, Corrado","Zirconium−Butadiene Bonded over a Planar Set of Oxygens Derived from Calix[4]arene and Its Behavior as a Source of Zirconium(II)","Organometallics","1997","16","25","5457","","10.1021/om970624m","","","1.54178","CuKα","","0.1324","0.088","","0.5534","0.248","","","","1.067","1.119","1.119","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078345","12.375","0.002","40.636","0.005","21.083","0.003","90","0","103.91","0.02","90","0","10291","3","25","","143","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C111 H152 O10 Zr2 -","- C118 H98 O10 Zr2 -","- C472 H392 O40 Zr8 -","4","0.5","","Caselli, Alessandro; Giannini, Luca; Solari, Euro; Floriani, Carlo; Re, Nazzareno; Chiesi-Villa, Angiola; Rizzoli, Corrado","Zirconium−Butadiene Bonded over a Planar Set of Oxygens Derived from Calix[4]arene and Its Behavior as a Source of Zirconium(II)","Organometallics","1997","16","25","5457","","10.1021/om970624m","","","1.54178","CuKα","","0.2196","0.0661","","0.198","0.1592","","","","1.016","1.167","1.167","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078346","15.559","0.002","16.936","0.002","23.58","0.004","90","0","90.15","0.01","90","0","6213.5","1.5","25","","143","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C71 H87 N O4 Zr -","- C87 H55 N O4 Zr -","- C348 H220 N4 O16 Zr4 -","4","1","","Caselli, Alessandro; Giannini, Luca; Solari, Euro; Floriani, Carlo; Re, Nazzareno; Chiesi-Villa, Angiola; Rizzoli, Corrado","Zirconium−Butadiene Bonded over a Planar Set of Oxygens Derived from Calix[4]arene and Its Behavior as a Source of Zirconium(II)","Organometallics","1997","16","25","5457","","10.1021/om970624m","","","1.54178","CuKα","","0.3015","0.0814","","0.2582","0.1971","","","","1.012","1.238","1.238","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078349","11.1037","0.0002","11.8678","0.0002","19.2126","0.0003","87.28","0.002","86.519","0.002","69.337","0.002","2363.62","0.08","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H76 F Li N2 Si -","- C48 H76 F Li N2 Si -","- C96 H152 F2 Li2 N4 Si2 -","2","1","","Trommer, Martin; Miracle, Gary E.; Eichler, Barrett E.; Powell, Douglas R.; West, Robert","Synthesis and Reactivity of Several Stable 1-Silaallenes","Organometallics","1997","16","26","5737","","10.1021/om970246l","","","0.71073","MoKα","","0.0514","0.0381","","0.1029","0.0956","","","","1.02","1.058","1.058","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078350","19.1204","0.0005","19.6814","0.0006","10.2646","0.0003","90","","95.171","0.002","90","","3847.01","0.19","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H60 Si -","- C42 H60 Si -","- C168 H240 Si4 -","4","1","","Trommer, Martin; Miracle, Gary E.; Eichler, Barrett E.; Powell, Douglas R.; West, Robert","Synthesis and Reactivity of Several Stable 1-Silaallenes","Organometallics","1997","16","26","5737","","10.1021/om970246l","","","0.71073","MoKα","","0.0907","0.0617","","0.1739","0.154","","","","1.038","1.093","1.093","","","","","has coordinates","301830","2025-08-20","13:17:26",""
"4078351","13.982","0.004","16.842","0.009","26.031","0.007","90","","90","","90","","6130","4","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C34 H52 Si -","- C34 H52 Si -","- C272 H416 Si8 -","8","1","","Trommer, Martin; Miracle, Gary E.; Eichler, Barrett E.; Powell, Douglas R.; West, Robert","Synthesis and Reactivity of Several Stable 1-Silaallenes","Organometallics","1997","16","26","5737","","10.1021/om970246l","","","1.54178","CuKα","","0.1603","0.1076","","0.3715","0.2998","","","","1.294","1.337","1.337","","","","","has coordinates,has disorder","301830","2025-08-20","13:17:26",""
"4078352","18.1971","0.0005","15.4724","0.0004","16.8628","0.0005","90","","96.45","0.002","90","","4717.7","0.2","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H70 O Si -","- C55 H70 O Si -","- C220 H280 O4 Si4 -","4","1","","Trommer, Martin; Miracle, Gary E.; Eichler, Barrett E.; Powell, Douglas R.; West, Robert","Synthesis and Reactivity of Several Stable 1-Silaallenes","Organometallics","1997","16","26","5737","","10.1021/om970246l","","","0.71073","MoKα","","0.0557","0.039","","0.105","0.0958","","","","1.033","1.071","1.071","","","","","has coordinates","301830","2025-08-20","13:17:26",""
"4078353","12.97","0.004","13.503","0.002","14.567","0.005","90","","90","","90","","2551.2","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H38 O8 V2 -","- C20 H38 O8 V2 -","- C80 H152 O32 V8 -","4","1","","Lütjens, Henning; Wahl, Günter; Möller, Frank; Knochel, Paul; Sundermeyer, Jörg","New ChiralC3-Symmetric Triols as Ligands for Vanadium and Titanium Complexes†","Organometallics","1997","16","26","5869","","10.1021/om970523o","","","0.7093","MoKα","","0.0948","0.0448","","0.1129","0.0862","","","","1.155","1.052","1.052","","","","","has coordinates","301830","2025-08-20","13:17:26",""
"4078354","10.029","0.003","11.577","0.005","11.838","0.004","77.34","","75.98","0.03","75.61","","1273.1","0.8","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C23.5 H34 Cl2 Sn2 -","- C23.5 H30 Cl2 Sn2 -","- C47 H60 Cl4 Sn4 -","2","1","","Constantine, Steven P.; De Lima, Geraldo M.; Hitchcock, Peter B.; Keates, Julian M.; Lawless, Gerard A.; Marziano, Ivan","Synthesis and Characterization of Sn(η5-C5Me5)Cl and Sn{η5-C5Me4(SiMe2But)}Cl","Organometallics","1997","16","4","793","","10.1021/om9608059","","","0.71073","MoKα","","0.0357","0.0285","","0.0722","0.0679","","","","0.967","0.981","0.981","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078355","9.783","0.003","19.22","0.006","24.25","0.08","90","","98.5","0.2","90","","4510","15","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H54 Cl2 P3 Rh Sn -","- C44 H54 Cl2 P3 Rh Sn -","- C176 H216 Cl8 P12 Rh4 Sn4 -","4","1","","Werner, Helmut; Gevert, Olaf; Haquette, Pierre","Five- and Six-Coordinate Bis(alkynyl)rhodium(III) Complexes Containing a Rh−SnPh3Bond","Organometallics","1997","16","4","803","","10.1021/om960970o","","","0.7093","MoKα","","0.0349","0.029","","0.0788","0.0725","","","","1.078","1.07","1.07","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078356","12.719","0.009","12.474","0.004","24.5","0.04","90","","93.05","0.04","90","","3882","7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H52 I P2 Rh -","- C34 H52 I P2 Rh -","- C136 H208 I4 P8 Rh4 -","4","1","","Werner, Helmut; Gevert, Olaf; Haquette, Pierre","Five- and Six-Coordinate Bis(alkynyl)rhodium(III) Complexes Containing a Rh−SnPh3Bond","Organometallics","1997","16","4","803","","10.1021/om960970o","","","0.7093","MoKα","","0.0428","0.0293","","0.071","0.0631","","","","1.057","1.06","1.06","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078367","11.138","0.01","11.151","0.011","22.143","0.025","90.56","0.09","100.55","0.08","112.24","0.08","2493","5","153","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H72 Li4 N12 -","- C48 H72 Li4 N12 -","- C96 H144 Li8 N24 -","2","1","","Davies, Robert P.; Raithby, Paul R.; Shields, Gregory P.; Snaith, Ronald; Wheatley, Andrew E. H.","Inhibition of the Cyclotrimerization of Benzonitrile and the Likely Mechanism of the Cyclotrimerization Process: Structure of a New Tetrameric α-Amino Lithium Imide DemonstratingIntramolecular Stabilization of the Metal Centers","Organometallics","1997","16","10","2223","","10.1021/om961082w","","","0.71073","MoKα","","0.0914","0.0623","","0.175","0.15","","","","1.035","1.066","1.066","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078368","12.067","0.002","12.359","0.002","16.76","0.002","90","","90","","90","","2499.5","0.7","298.2","","298.2","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Ru -","- C16 H16 Ru -","- C128 H128 Ru8 -","8","1","","Bennett, Martin A.; Neumann, Horst; Willis, Anthony C.; Ballantini, Valter; Pertici, Paolo; Mann, Brian E.","Synthesis, Structure, and Fluxional Behavior of Bis(cyclooctatetraene)ruthenium(0) and Its Derivatives","Organometallics","1997","16","13","2868","","10.1021/om970065j","","","0.7107","MoKα","","0.1408","0.0506","","0.0724","0.0641","","","","1.928","2.481","2.481","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078369","11.57","0.002","11.347","0.002","13.199","0.001","90","","100.669","0.01","90","","1702.9","0.4","296.2","","296.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 P Ru -","- C19 H25 P Ru -","- C76 H100 P4 Ru4 -","4","1","","Bennett, Martin A.; Neumann, Horst; Willis, Anthony C.; Ballantini, Valter; Pertici, Paolo; Mann, Brian E.","Synthesis, Structure, and Fluxional Behavior of Bis(cyclooctatetraene)ruthenium(0) and Its Derivatives","Organometallics","1997","16","13","2868","","10.1021/om970065j","","","0.7107","MoKalpha","","","0.0203","","","0.0245","","","","","1.269","1.269","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078370","30.346","0.005","47.526","0.009","12.009","0.002","90","","90","","90","","17320","5","173","2","173","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C36 H44 Au3 F15 N2 O0.5 S -","- C36 H40 Au3 F15 N2 O0.5 S -","- C576 H640 Au48 F240 N32 O8 S16 -","16","1","","Vicente, José; Chicote, María-Teresa; González-Herrero, Pablo; Grünwald, Claus; Jones, Peter G.","Complexes with S-Donor Ligands. 5.†Syntheses of the First (Hydrosulfido)- and Anionic Sulfidoorganogold(I) Complexes. Crystal and Molecular Structure of (Et4N)2[{Au(C6F5)}3(μ3-S)]·0.5MeC(O)Et","Organometallics","1997","16","15","3381","","10.1021/om970106b","","","0.71073","MoKα","","0.0662","0.0411","","0.0806","0.0751","","","","0.858","0.946","0.946","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4078371","9.101","0.002","16.847","0.003","20.226","0.003","90","","93.74","0.02","90","","3094.5","1","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H53 Cl O Os P2 Si -","- C23 H53 Cl O Os P2 Si -","- C92 H212 Cl4 O4 Os4 P8 Si4 -","4","1","","Werner, Helmut; Stüer, Wolfram; Laubender, Matthias; Lehmann, Christopher; Herbst-Irmer, Regine","Stable Osmium Hydrido−Carbene Complexes with CH2and Secondary Carbenes CHR as Ligands","Organometallics","1997","16","11","2236","","10.1021/om970139r","","","0.71073","MoKα","","0.0456","0.0283","","0.0592","0.0577","","","","0.927","1.078","1.078","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078372","11.426","0.004","16.734","0.002","32.119","0.012","90","","99.96","0.02","90","","6049","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H48 Cl2 O Os P2 -","- C26 H48 Cl2 O Os P2 -","- C208 H384 Cl16 O8 Os8 P16 -","8","2","","Werner, Helmut; Stüer, Wolfram; Laubender, Matthias; Lehmann, Christopher; Herbst-Irmer, Regine","Stable Osmium Hydrido−Carbene Complexes with CH2and Secondary Carbenes CHR as Ligands","Organometallics","1997","16","11","2236","","10.1021/om970139r","","","0.71073","MoKα","","0.1298","0.0602","","0.1425","0.1022","","","","1.076","1.117","1.117","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078373","19.817","0.003","9.4203","0.0012","19.888","0.003","90","","90","","90","","3712.7","0.9","193","2","193","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H28 P Rh Se -","- C17 H28 P Rh Se -","- C136 H224 P8 Rh8 Se8 -","8","2","","Vicic, David A.; Myers, Andrew W.; Jones, William D.","Carbon−Selenium Bond Cleavage by a Rhodium Complex","Organometallics","1997","16","12","2751","","10.1021/om970209u","","","0.71073","MoKα","","0.0698","0.0509","","0.0708","0.0661","","","","1.116","1.167","1.167","","","","","has coordinates,has disorder","301830","2025-08-20","13:17:26",""
"4078374","12.334","0.005","14.624","0.007","10.101","0.003","103","0.03","102.9","0.02","86.63","0.04","1730.4","1.2","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H38 N3 O6 Sn3 -","- C30 H38 N3 O6 Sn3 -","- C60 H76 N6 O12 Sn6 -","2","1","","Willem, Rudolph; Bouhdid, Abdeslam; Meddour, Abdelkrim; Camacho-Camacho, Carlos; Mercier, Frédéric; Gielen, Marcel; Biesemans, Monique; Ribot, François; Sanchez, Clément; Tiekink, Edward R. T.","X-ray Diffraction and 2D Gradient-Assisted1H−119Sn HMQC NMR Studies of Structures Obtained from Nucleophilic Substitutions on Dimethyltin(IV) Salicylaldoximates","Organometallics","1997","16","20","4377","","10.1021/om970378e","","","0.7107","MoKalpha","","","0.0389","","","0.0391","","","","","1.66","1.66","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078375","11.744","0.005","15.768","0.005","10.2","0.004","105.1","0.03","112.88","0.03","87.3","0.03","1677","1.2","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H39 N2 O6 Sn3 -","- C30 H38 N2 O6 Sn3 -","- C60 H76 N4 O12 Sn6 -","2","1","","Willem, Rudolph; Bouhdid, Abdeslam; Meddour, Abdelkrim; Camacho-Camacho, Carlos; Mercier, Frédéric; Gielen, Marcel; Biesemans, Monique; Ribot, François; Sanchez, Clément; Tiekink, Edward R. T.","X-ray Diffraction and 2D Gradient-Assisted1H−119Sn HMQC NMR Studies of Structures Obtained from Nucleophilic Substitutions on Dimethyltin(IV) Salicylaldoximates","Organometallics","1997","16","20","4377","","10.1021/om970378e","","","0.7107","MoKalpha","","","0.0367","","","0.0442","","","","","2.007","2.007","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078376","11.765","0.009","15.76","0.01","10.205","0.008","105.09","0.07","113.43","0.06","87.26","0.07","1673","2","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H36 Br N2 O6 Sn3 -","- C29 H36 Br N2 O6 Sn3 -","- C58 H72 Br2 N4 O12 Sn6 -","2","1","","Willem, Rudolph; Bouhdid, Abdeslam; Meddour, Abdelkrim; Camacho-Camacho, Carlos; Mercier, Frédéric; Gielen, Marcel; Biesemans, Monique; Ribot, François; Sanchez, Clément; Tiekink, Edward R. T.","X-ray Diffraction and 2D Gradient-Assisted1H−119Sn HMQC NMR Studies of Structures Obtained from Nucleophilic Substitutions on Dimethyltin(IV) Salicylaldoximates","Organometallics","1997","16","20","4377","","10.1021/om970378e","","","0.7107","MoKalpha","","","0.0377","","","0.0335","","","","","1.631","1.631","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078377","19.7409","0.0006","9.4823","0.0003","19.6504","0.0006","90","","90","","90","","3678.3","0.2","223","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H28 P Rh S -","- C17 H28 P Rh S -","- C136 H224 P8 Rh8 S8 -","8","2","","Blonski, Christine; Myers, Andrew W.; Palmer, Michael; Harris, Suzanne; Jones, William D.","Structure of Metallathiacycles: Planar vs Nonplanar Geometries. A Theoretical and Experimental Investigation","Organometallics","1997","16","17","3819","","10.1021/om970416u","","","0.71073","MoKα","","0.03","0.026","","0.0599","0.0571","","","","1.152","1.141","1.141","","","","","has coordinates,has disorder","301830","2025-08-20","13:17:26",""
"4078378","17.7781","0.0003","8.7959","0.0001","27.9997","0.0004","90","","105.496","0.001","90","","4219.28","0.11","223","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H30 P Rh S -","- C21 H30 P Rh S -","- C168 H240 P8 Rh8 S8 -","8","2","","Blonski, Christine; Myers, Andrew W.; Palmer, Michael; Harris, Suzanne; Jones, William D.","Structure of Metallathiacycles: Planar vs Nonplanar Geometries. A Theoretical and Experimental Investigation","Organometallics","1997","16","17","3819","","10.1021/om970416u","","","0.71073","MoKα","","0.0928","0.0604","","0.1572","0.1325","","","","1.149","1.226","1.226","","","","","has coordinates,has disorder","178672","2020-10-21","18:00:00",""
"4078379","9.7151","0.0002","14.3632","0.0001","16.5451","0.0003","90","","90","","90","","2308.7","0.07","223","2","223","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C25 H32 P Rh S -","- C25 H32 P Rh S -","- C100 H128 P4 Rh4 S4 -","4","1","","Blonski, Christine; Myers, Andrew W.; Palmer, Michael; Harris, Suzanne; Jones, William D.","Structure of Metallathiacycles: Planar vs Nonplanar Geometries. A Theoretical and Experimental Investigation","Organometallics","1997","16","17","3819","","10.1021/om970416u","","","0.71073","MoKα","","0.0611","0.0417","","0.0768","0.0693","","","","1.099","1.115","1.115","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078380","10.359","0.003","11.293","0.003","12.924","0.003","107.29","0.02","103.18","0.02","102.08","0.02","1341.7","0.7","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H28 F3 N3 O7 Pd S -","- C25 H28 F3 N3 O7 Pd S -","- C50 H56 F6 N6 O14 Pd2 S2 -","2","1","","Vicente, José; Abad, José-Antonio; Shaw, Kenneth F.; Gil-Rubio, Juan; Ramírez de Arellano, M. Carmen; Jones, Peter G.","Palladium-Assisted Formation of Carbon−Carbon Bonds. 7.1Reactions of (2,3,4-Trimethoxy-6-X-phenyl)palladium Complexes with Alkynes (X = C(O)NHBut) and Isocyanides (X = C(O)NHBut, C(O)Me, CHO): Crystal and Molecular Structures of [Pd{C6H{C(O)NHBut}-6-(OMe)3-2,3,4}(bpy)](CF3SO3), [Pd{C(CO2Me)C(CO2Me)C6H{C(O)NHBut}-6-(OMe)3-2,3,4)}- Cl(PPh3)], [Pd{C(NXy)C6H{C(O)NHBut}-6-(OMe)3-2,3,4}- (bpy)](CF3SO3), and the Ketenimine 2-(2,6-Dimethylphenyl)-1-(((2,6-dimethylphenyl)imino)- methylene)-5,6,7-trimethoxy-3-oxoisoindoline","Organometallics","1997","16","21","4557","","10.1021/om970426v","","","0.71073","MoKα","","0.0449","0.035","","0.0792","0.0731","","","","1.083","1.077","1.077","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078381","9.345","0.003","11.619","0.003","19.076","0.005","78.47","0.02","79.19","0.02","66.47","0.02","1847.3","1","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H43 Cl N O9 P Pd -","- C38 H41 Cl N O9 P Pd -","- C76 H82 Cl2 N2 O18 P2 Pd2 -","2","1","","Vicente, José; Abad, José-Antonio; Shaw, Kenneth F.; Gil-Rubio, Juan; Ramírez de Arellano, M. Carmen; Jones, Peter G.","Palladium-Assisted Formation of Carbon−Carbon Bonds. 7.1Reactions of (2,3,4-Trimethoxy-6-X-phenyl)palladium Complexes with Alkynes (X = C(O)NHBut) and Isocyanides (X = C(O)NHBut, C(O)Me, CHO): Crystal and Molecular Structures of [Pd{C6H{C(O)NHBut}-6-(OMe)3-2,3,4}(bpy)](CF3SO3), [Pd{C(CO2Me)C(CO2Me)C6H{C(O)NHBut}-6-(OMe)3-2,3,4)}- Cl(PPh3)], [Pd{C(NXy)C6H{C(O)NHBut}-6-(OMe)3-2,3,4}- (bpy)](CF3SO3), and the Ketenimine 2-(2,6-Dimethylphenyl)-1-(((2,6-dimethylphenyl)imino)- methylene)-5,6,7-trimethoxy-3-oxoisoindoline","Organometallics","1997","16","21","4557","","10.1021/om970426v","","","0.71073","MoKα","","0.0537","0.0475","","0.1187","0.1078","","","","1.186","1.198","1.198","","","","","has coordinates,has disorder","178672","2020-10-21","18:00:00",""
"4078382","13.241","0.002","18.728","0.002","23.258","0.003","72.406","0.008","89.433","0.008","88.567","0.01","5495.9","1.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H39 F3 N4 O7.33 Pd S -","- C35 H37.6667 F3 N4 O7.33333 Pd S -","- C210 H226 F18 N24 O44 Pd6 S6 -","6","3","","Vicente, José; Abad, José-Antonio; Shaw, Kenneth F.; Gil-Rubio, Juan; Ramírez de Arellano, M. Carmen; Jones, Peter G.","Palladium-Assisted Formation of Carbon−Carbon Bonds. 7.1Reactions of (2,3,4-Trimethoxy-6-X-phenyl)palladium Complexes with Alkynes (X = C(O)NHBut) and Isocyanides (X = C(O)NHBut, C(O)Me, CHO): Crystal and Molecular Structures of [Pd{C6H{C(O)NHBut}-6-(OMe)3-2,3,4}(bpy)](CF3SO3), [Pd{C(CO2Me)C(CO2Me)C6H{C(O)NHBut}-6-(OMe)3-2,3,4)}- Cl(PPh3)], [Pd{C(NXy)C6H{C(O)NHBut}-6-(OMe)3-2,3,4}- (bpy)](CF3SO3), and the Ketenimine 2-(2,6-Dimethylphenyl)-1-(((2,6-dimethylphenyl)imino)- methylene)-5,6,7-trimethoxy-3-oxoisoindoline","Organometallics","1997","16","21","4557","","10.1021/om970426v","","","0.71073","MoKα","","0.1049","0.0464","","0.094","0.0822","","","","0.81","1.008","1.008","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078383","8.003","0.002","11.451","0.002","13.796","0.002","98.69","0.02","103.36","0.01","95.77","0.02","1203.8","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 N2 O4 -","- C28 H28 N2 O4 -","- C56 H56 N4 O8 -","2","1","","Vicente, José; Abad, José-Antonio; Shaw, Kenneth F.; Gil-Rubio, Juan; Ramírez de Arellano, M. Carmen; Jones, Peter G.","Palladium-Assisted Formation of Carbon−Carbon Bonds. 7.1Reactions of (2,3,4-Trimethoxy-6-X-phenyl)palladium Complexes with Alkynes (X = C(O)NHBut) and Isocyanides (X = C(O)NHBut, C(O)Me, CHO): Crystal and Molecular Structures of [Pd{C6H{C(O)NHBut}-6-(OMe)3-2,3,4}(bpy)](CF3SO3), [Pd{C(CO2Me)C(CO2Me)C6H{C(O)NHBut}-6-(OMe)3-2,3,4)}- Cl(PPh3)], [Pd{C(NXy)C6H{C(O)NHBut}-6-(OMe)3-2,3,4}- (bpy)](CF3SO3), and the Ketenimine 2-(2,6-Dimethylphenyl)-1-(((2,6-dimethylphenyl)imino)- methylene)-5,6,7-trimethoxy-3-oxoisoindoline","Organometallics","1997","16","21","4557","","10.1021/om970426v","","","0.71073","MoKα","","0.0675","0.0429","","0.1206","0.1117","","","","0.998","1.158","1.158","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078384","11.4289","0.0014","11.9064","0.0014","18.727","0.002","73.275","0.01","73.57","0.01","69.161","0.01","2234","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C48.5 H47 Cl O6.5 P2 Pd -","- C48.5 H45 Cl O6.5 P2 Pd -","- C97 H90 Cl2 O13 P4 Pd2 -","2","1","","Vicente, José; Abad, José-Antonio; Rink, Barbara; Hernández, Francisco-Santos; Ramírez de Arellano, M. Carmen","Synthesis of Mercury(II) and Palladium(II) Organometallic Derivatives of Terephthaldehyde by Metalation, Transmetalation, Oxidation, and Condensation Reactions. X-ray Crystal Structures oftrans-[PdCl{C6H3(CO2H)2-2,5}(PPh3)2]·Me2CO·2MeOH,trans-[PdCl{C6H3(CHO)-2-(CO2H)-5}(PPh3)2]·2CH2Cl2, and [Pd{C6H3(CHNC6H4NH2-4)-2-(CHO)-5}(N,N,N',N'-Tetramethylethylenediamine)]CF3SO3. Molecular Assemblies through [Pd]–Cl···HO2C–Aryl and [Pd]–Cl···HOMe HO(O)C–Aryl Hydrogen Bonds","Organometallics","1997","16","24","5269","5282","10.1021/om970583u","","","0.71073","MoKα","","0.0459","0.037","","0.1065","0.0991","","","","1.05","1.068","1.068","","","","","has coordinates,has disorder","297214","2025-01-08","06:43:40",""
"4078385","14.6048","0.0012","17.1715","0.0012","17.156","0.002","90","","90","","90","","4302.5","0.7","173","2","173","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C46 H39 Cl5 O3 P2 Pd -","- C46 H39 Cl5 O3 P2 Pd -","- C184 H156 Cl20 O12 P8 Pd4 -","4","0.5","","Vicente, José; Abad, José-Antonio; Rink, Barbara; Hernández, Francisco-Santos; Ramírez de Arellano, M. Carmen","Synthesis of Mercury(II) and Palladium(II) Organometallic Derivatives of Terephthaldehyde by Metalation, Transmetalation, Oxidation, and Condensation Reactions. X-ray Crystal Structures oftrans-[PdCl{C6H3(CO2H)2-2,5}(PPh3)2]·Me2CO·2MeOH,trans-[PdCl{C6H3(CHO)-2-(CO2H)-5}(PPh3)2]·2CH2Cl2, and [Pd{C6H3(CHNC6H4NH2-4)-2-(CHO)-5}(N,N,N',N'-Tetramethylethylenediamine)]CF3SO3. Molecular Assemblies through [Pd]–Cl···HO2C–Aryl and [Pd]–Cl···HOMe HO(O)C–Aryl Hydrogen Bonds","Organometallics","1997","16","24","5269","5282","10.1021/om970583u","","","0.71073","MoKα","","0.0216","0.0198","","0.0474","0.0471","","","","1.061","1.081","1.081","","","","","has coordinates","297214","2025-01-08","06:43:41",""
"4078386","10.786","0.002","10.998","0.002","11.14","0.002","74.991","0.012","75.398","0.01","82.864","0.014","1232.7","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H27 F3 N4 O4 Pd S -","- C21 H25 F3 N4 O4 Pd S -","- C42 H50 F6 N8 O8 Pd2 S2 -","2","1","","Vicente, José; Abad, José-Antonio; Rink, Barbara; Hernández, Francisco-Santos; Ramírez de Arellano, M. Carmen","Synthesis of Mercury(II) and Palladium(II) Organometallic Derivatives of Terephthaldehyde by Metalation, Transmetalation, Oxidation, and Condensation Reactions. X-ray Crystal Structures oftrans-[PdCl{C6H3(CO2H)2-2,5}(PPh3)2]·Me2CO·2MeOH,trans-[PdCl{C6H3(CHO)-2-(CO2H)-5}(PPh3)2]·2CH2Cl2, and [Pd{C6H3(CHNC6H4NH2-4)-2-(CHO)-5}(N,N,N',N'-Tetramethylethylenediamine)]CF3SO3. Molecular Assemblies through [Pd]–Cl···HO2C–Aryl and [Pd]–Cl···HOMe HO(O)C–Aryl Hydrogen Bonds","Organometallics","1997","16","24","5269","5282","10.1021/om970583u","","","0.71073","MoKα","","0.0537","0.0362","","0.0782","0.0742","","","","0.945","1.033","1.033","","","","","has coordinates,has disorder","297214","2025-01-08","06:43:41",""
"4078387","16.569","0.0014","8.7952","0.0009","12.953","0.002","90","","94.43","0.012","90","","1882","0.4","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C15 H27 N O2 Si2 W -","- C15 H27 N O2 Si2 W -","- C60 H108 N4 O8 Si8 W4 -","4","1","","Ueno, Keiji; Masuko, Akira; Ogino, Hiroshi","Synthesis, Structure, and Fluxional Behavior of Donor-Stabilized Bis(silylene)tungsten Complexes","Organometallics","1997","16","23","5023","","10.1021/om970609h","","","0.71073","MoKα","","0.0765","0.0526","","0.1246","0.1176","","","","0.998","1.082","1.082","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078388","12.771","0.006","14.478","0.006","8.755","0.004","90","","90","","90","","1618.8","1.3","293","2","293","2","","","","","","","","5","P b m a","-P 2a 2ab","57","","","","- C6 H10 O1.5 Si W0.5 -","- C6 H10 O1.5 Si W0.5 -","- C48 H80 O12 Si8 W4 -","8","1","","Ueno, Keiji; Masuko, Akira; Ogino, Hiroshi","Synthesis, Structure, and Fluxional Behavior of Donor-Stabilized Bis(silylene)tungsten Complexes","Organometallics","1997","16","23","5023","","10.1021/om970609h","","","0.71073","MoKα","","0.0852","0.0617","","0.1494","0.138","","","","0.96","1.035","1.035","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4343638","10.571","","10.571","","10.571","","90","","90","","90","","1181.27","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Cs2 Li (Fe (C N)6)","","- C6 Cs2 Fe Li N6 -","- C6 Cs2 Fe Li N6 -","- C24 Cs8 Fe4 Li4 N24 -","4","0.0208333","","Beall, G.W.; Milligan, W.O.; McMullan, R.K.; Korp, J.D.; Bernal, I.","Crystal structure of Cs2 Li Fe (C N)6 by neutron diffraction","Inorganic Chemistry","1977","16","","207","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343646","8.0744","","14.7265","","14.777","","90","","101.36","","90","","1722.68","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","H2 Os3 (C O)11","","- C11 H2 O11 Os3 -","- C11 O11 Os3 -","- C44 O44 Os12 -","4","1","","Churchill, M.R.; de Boer, B.G.","Structural studies on polynuclear osmium carbonyl hydrides.1.Crystal structures of the isomorphous species H2 Os3 (C O)171 and Os3)C O)12.Direct information on the rule of an equitorial mue2-bridging hydride ligand in perturb...","Inorganic Chemistry","1977","16","","878","884","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343647","8.0817","","14.7683","","14.5773","","90","","100.56","","90","","1710.38","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Os3 (C O)12","","- C12 O12 Os3 -","- C12 O12 Os3 -","- C48 O48 Os12 -","4","1","","Churchill, M.R.; de Boer, B.G.","Structural studies on polynuclear osmium carbonyl hydrides.1.Crystal structures of the isomorphous species H2 Os3 (C O)11 and Os3)C O)172.Direct information on the rule of an equitorial mue2-bridging hydride ligand in perturb...","Inorganic Chemistry","1977","16","","878","884","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343649","7.85","","9.2922","","6.148","","90","","90","","90","","448.458","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Na2 (Zn2 (O H)2) (Mo O4)2","","- H2 Mo2 Na2 O10 Zn2 -","- Mo2 Na2 O10 Zn2 -","- Mo4 Na4 O20 Zn4 -","2","0.5","","Clearfield, A.; Gopal, R.; Saldarriaga-Molina, C.H.","Studies in heavy-metal molybdates. 2. Crystal structure of disodium di-mue-hydroxo-dizinc molybdate","Inorganic Chemistry","1977","16","","628","631","","","","","","","","","","","","","","","","","","","","","","has coordinates","144921","2020-10-21","18:00:00",""
"4343654","11.673","","7.216","","25.782","","90","","90","","90","","2171.68","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","((N H3)5 Ru S S Ru (N H3)5) Cl4 (H2 O)2","","- Cl4 H34 N10 O2 Ru2 S2 -","- Cl4 N10 O2 Ru2 S2 -","- Cl16 N40 O8 Ru8 S8 -","4","0.5","","Elder, R.C.; Trkula, M.","Crystal structure of ((N H3)5 Ru S S Ru (N H3)5) Cl4 (H2 O)2. A structural trans effect and evidence for a supersulfide (S2)-bridge","Inorganic Chemistry","1977","16","","1048","1051","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343655","9.683","","12.513","","8.832","","120.9","","98.67","","98.32","","876.064","","","","","","","","","","","","","4","P -1","-P 1","2","","(Pt3 (N H3)6 (O H)3) (N O3)3","","- H21 N9 O12 Pt3 -","- H21 N9 O12 Pt3 -","- H42 N18 O24 Pt6 -","2","1","","Faggiani, R.; Lippert, B.; Lock, C.J.L.; Rosenberg, B.","Hydroxo-bridged platinum(II) complexes. 2. Crystallographic characterization of heptascandium decachloride (Sc7 Cl10). A novel metal-chain structure","Inorganic Chemistry","1977","16","","1192","1196","","","","","","","","","","","","","","","","","","","","","","has coordinates","301840","2025-08-20","23:44:56",""
"4343658","8.421","","11.828","","15.279","","90","","90.92","","90","","1521.65","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Te3 S3 (As F6)2","","- As2 F12 S3 Te3 -","- As2 F12 S3 Te3 -","- As8 F48 S12 Te12 -","4","1","","Gillespie, R.J.; Maharajh, E.; Luk, W.C.; Slim, D.R.","Preparation and crystal structures of Te3 S3 (As F6)2, Te2 Se4 (Sb F6)2 and Te2 Se4 (As F6)2","Inorganic Chemistry","1977","16","","892","896","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343659","12.117","","8.748","","15.772","","90","","90","","90","","1671.82","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Te2 Se4 (Sb F6)2","","- F12 Sb2 Se4 Te2 -","- F12 Sb2 Se4 Te2 -","- F48 Sb8 Se16 Te8 -","4","1","","Gillespie, R.J.; Maharajh, E.; Luk, W.C.; Slim, D.R.","Preparation and crystal structures of Te3 S3 (As F6)2, Te2 Se4 (Sb F6)2 and Te2 Se4 (As F6)2","Inorganic Chemistry","1977","16","","892","896","","","","","","","","","","","","","","","","","","","","","","has coordinates","145175","2020-10-21","18:00:00",""
"4343660","8.64","","12.012","","15.272","","90","","90","","90","","1584.98","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Te2 Se4 (As F6)2","","- As2 F12 Se4 Te2 -","- As2 F12 Se4 Te2 -","- As8 F48 Se16 Te8 -","4","1","","Gillespie, R.J.; Luk, W.C.; Maharajh, E.; Slim, D.R.","Preparation and crystal structures of Te3 S3 (As F6)2, Te2 Se4 (Sb F6)2 and Te2 Se4 (As F6)2","Inorganic Chemistry","1977","16","","892","896","","","","","","","","","","","","","","","","","","","","","","has coordinates","145176","2020-10-21","18:00:00",""
"4343663","13.989","","9.701","","11.029","","90","","95.52","","90","","1489.78","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Fe (H2 O)6) (N O3)3 (H2 O)3","","- Fe H18 N3 O18 -","- Fe H18 N3 O18 -","- Fe4 H72 N12 O72 -","4","1","","Hair, N.J.; Beattie, J.K.","Structure of hexaaquairon(III) nitrate trihydrate. Comparison of iron(II) and iron(III) bond lenghts in high-spin octahedral environments","Inorganic Chemistry","1977","16","","245","250","","","","","","","","","","","","","","","","","","","","","","has coordinates","301840","2025-08-20","23:44:56",""
"4343666","3.598","","19.655","","8.515","","90","","103.35","","90","","585.898","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Na (Cu (C N)2) (H2 O)2","","- C2 H4 Cu N2 Na O2 -","- C2 H3 Cu N2 Na O2 -","- C8 H12 Cu4 N8 Na4 O8 -","4","1","","Kappenstein, C.; Hugel, R.P.","Crystal structure and spectral properties of sodium dicyanocuprate(I) dihydrate. A planar polymeric three-coordinated copper(I) anion","Inorganic Chemistry","1977","16","","250","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343670","12.693","","12.809","","13.642","","90","","112.22","","90","","2053.27","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Rb2 (Pt (C N)4) (H2 O)1.5","","- C4 H3 N4 O1.5 Pt Rb2 -","- C4 H3 N4 O1.5 Pt Rb2 -","- C32 H24 N32 O12 Pt8 Rb16 -","8","1","","Koch, T.R.; Johnson, P.L.; Williams, J.M.","Structural studies of precursor and partially oxidized conducting complexes. 8. A neutron diffraction investigation of rubidium tetracyanoplatinate(II) sesquihydrate , Rb2 (Pt (C N)4) (H2 O)1.5","Inorganic Chemistry","1977","16","","640","645","","","","","","","","","","","","","","","","","","","","","","has coordinates","301840","2025-08-20","23:44:56",""
"4343673","9.76","","10.087","","13.495","","90","","90","","90","","1328.57","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Pt (N H3)2 (N O3)2","","- H6 N4 O6 Pt -","- H6 N4 O6 Pt -","- H48 N32 O48 Pt8 -","8","1","","Lippert, B.; Lock, C.J.L.; Rosenberg, B.; Zvagulis, M.","Cis-dinitratodiammineplatinum(II), cis-Pt (N H3)2 (N O3)2. Crystalline structure and vibrational spectra","Inorganic Chemistry","1977","16","","1525","1529","","","","","","","","","","","","","","","","","","","","","","has coordinates","301840","2025-08-20","23:44:56",""
"4343683","3.473","","3.473","","26.71","","90","","90","","120","","279.006","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Sc Cl","","- Cl Sc -","- Cl Sc -","- Cl6 Sc6 -","6","0.166667","","Poeppelmeier, K.R.; Corbett, J.D.","Metal metal bonding in reduced scandium halides. Synthesis and crystal structure of scandium monochloride","Inorganic Chemistry","1977","16","","294","297","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343684","18.62","","3.5366","","12.25","","90","","91.98","","90","","806.199","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Sc7 Cl10","","- Cl10 Sc7 -","- Cl10 Sc7 -","- Cl20 Sc14 -","2","0.25","","Poeppelmeier, K.R.; Corbett, J.D.","Metal-metal bonding in reduced scandium halides. Synthesis and characterization of heptascandium decachloride (Sc7 Cl10). A novel metal-chain structure","Inorganic Chemistry","1977","16","","1107","1111","","","","","","","","","","","","","","","","","","","","","","has coordinates","145993","2020-10-21","18:00:00",""
"4343688","8.49","","8.49","","8.49","","90","","90","","90","","611.96","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Eu Ba2 Nb O5.5","","- Ba2 Eu Nb O5.5 -","- Ba2 Eu Nb O5.502 -","- Ba8 Eu4 Nb4 O22.008 -","4","0.0208333","","Sato, K.; Kiyokawa, H.; Adachi, G.Y.; Shiokawa, J.","Preparation and properties of new Perovskite type oxides containing divalent europium","Inorganic Chemistry","1977","16","","328","331","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343689","8.394","","8.394","","8.394","","90","","90","","90","","591.435","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Eu2 Ba Ta O5.5","","- Ba Eu2 O5.5 Ta -","- Ba Eu2 O5.502 Ta -","- Ba4 Eu8 O22.008 Ta4 -","4","0.0208333","","Sato, K.; Kiyokawa, H.; Adachi, G.Y.; Shiokawa, J.","Preparation and properties of new Perovskite type oxides containing divalent europium","Inorganic Chemistry","1977","16","","328","331","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343693","8.14","","6.823","","8.852","","90","","91.92","","90","","491.357","","","","","","","","","","","","","2","I 1 2/m 1","-I 2y","12","","Nb Cl4","","- Cl4 Nb -","- Cl4 Nb -","- Cl16 Nb4 -","4","0.5","","Taylor, D.R.; Calabrese, J.C.; Larsen, E.M.","Crystal structure of niobium tetrachloride","Inorganic Chemistry","1977","16","","721","722","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343733","10.436","","10.436","","10.436","","90","","90","","90","","1136.59","","","","","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","Mn3 (Co (C N)6)2 (H2 O)13","","- C12 H26 Co2 Mn3 N12 O13 -","- C12 H26.0128 Co2 Mn3 N12 O12.988 -","- C12 H26.0128 Co2 Mn3 N12 O12.988 -","1","0.00520833","","Beall, G.W.; Milligan, W.O.; Korp, J.D.; Bernal, I.","Crystal structure of Mn3 (Co (C N)6)2 (H2 O)12 and Cd3 (Co (C N)6)2 (H2 O)12 by neutron and X-ray diffraction","Inorganic Chemistry","1977","16","","2715","2718","","","","","","","","","","","","","","","","","","","","","","has coordinates","148473","2020-10-21","18:00:00",""
"4343734","10.436","","10.436","","10.436","","90","","90","","90","","1136.59","","","","","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","(Mn3 (Co (C N)6)2 (H2 O)13)1.333","","- C15.996 H34.658 Co2.666 Mn3.999 N15.996 O17.329 -","- C16.0008 Co2.6668 Mn4 N16.0008 O17.3332 -","- C16.0008 Co2.6668 Mn4 N16.0008 O17.3332 -","1","0.00520833","","Beall, G.W.; Milligan, W.O.; Korp, J.D.; Bernal, I.","Crystal structure of Mn3 (Co (C N)6)2 (H2 O)12 and Cd3 (Co (C N)6)2 (H2 O)12 by neutron and X-Ray diffraction","Inorganic Chemistry","1977","16","","2715","2718","","","","","","","","","","","","","","","","","","","","","","has coordinates","148474","2020-10-21","18:00:00",""
"4343735","10.6","","10.6","","10.6","","90","","90","","90","","1191.02","","","","","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","(Cd3 (Co (C N)6)2 (H2 O)13)1.333","","- C15.996 H34.658 Cd3.999 Co2.666 N15.996 O17.329 -","- C16.0008 Cd4 Co2.6668 N16.0008 O17.3332 -","- C16.0008 Cd4 Co2.6668 N16.0008 O17.3332 -","1","0.00520833","","Beall, G.W.; Milligan, W.O.; Bernal, I.; Korp, J.D.","Crystal structure of Mn3 (Co (C N)6)2 (H2 O)12 and Cd3 (Co (C N)6)2 (H2 O)12 by neutron and X-Ray diffraction","Inorganic Chemistry","1977","16","","2715","2718","","","","","","","","","","","","","","","","","","","","","","has coordinates","148475","2020-10-21","18:00:00",""
"4343743","4.843","","16.331","","6.348","","90","","101.89","","90","","491.298","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","K (C F3 B F3)","","- C B F6 K -","- C B F6 K -","- C4 B4 F24 K4 -","4","1","","Brauer, D.J.; Buerger, H.; Pawelke, G.","Crystal and molecular structure, reinvestigated vibrational spectra, and normal-coordinate analysis of potassium (trifluoromethyl)- trifluoroborate, K (C F3 B F3)","Inorganic Chemistry","1977","16","","2305","2313","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343748","10.166","","10.166","","10.166","","90","","90","","90","","1050.63","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Fe4 (Fe (C N)6)3 (H2 O)14","","- C18 H28 Fe7 N18 O14 -","- C18 Fe7 N18 O14 -","- C18 Fe7 N18 O14 -","1","0.0208333","","Buser, H.J.; Schwarzenbach, D.; Petter, W.; Ludi, A.","The crystal structure of Prussian Blue: Fe4 (Fe (C N)6)3 . x(H2 O)","Inorganic Chemistry","1977","16","","2704","2709","","","","","","","","","","","","","","","","","","","","","","has coordinates","148622","2020-10-21","18:00:00",""
"4343752","10.557","","10.481","","10.144","","90","","102.14","","90","","1097.31","","","","","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","H Os3 Re (C O)15","","- C15 H O15 Os3 Re -","- C15 O15 Os3 Re -","- C30 O30 Os6 Re2 -","2","0.25","","Churchill, M.R.; Hollander, F.J.","Structural studies on polynuclear osmium carbonyl hydrides. 4. Crystal structure and molecular geometry of H Os3 Re (C O)15 , a rhomboidal metal cluster species","Inorganic Chemistry","1977","16","","2493","2497","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343753","8.1172","","14.8627","","14.614","","90","","100.667","","90","","1732.62","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Ru3 (C O)12","","- C12 O12 Ru3 -","- C12 O12 Ru3 -","- C48 O48 Ru12 -","4","1","","Churchill, M.R.; Hollander, F.J.; Hutchinson, J.L.","An accurate redetermination of the structure of triruthenium dodecacarbonyl, Ru3 (C O)12","Inorganic Chemistry","1977","16","","2655","2658","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343760","7.929","","8.326","","3.56","","90","","90","","90","","235.02","","","","","","","","","","","","","2","C m m m","-C 2 2","65","","Os Cl4","","- Cl4 Os -","- Cl4 Os -","- Cl8 Os2 -","2","0.125","","Cotton, F.A.; Rice, C.E.","Structure of the high-temperature form of osmium(IV) chloride","Inorganic Chemistry","1977","16","","1865","1867","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343761","9.323","","13.377","","11.979","","90","","95.13","","90","","1487.96","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Cs2 Re2 Cl8 (H2 O)","","- Cl8 Cs2 H2 O Re2 -","- Cl8 Cs2 O Re2 -","- Cl32 Cs8 O4 Re8 -","4","1","","Cotton, F.A.; Hall, W.T.","Cesium octachlorodirhenate(III) hydrate. The correct structure and its significance with respect to the nature of metal-metal multiple bonding","Inorganic Chemistry","1977","16","","1867","1871","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343762","3.5031","","3.5031","","28.071","","90","","90","","120","","298.328","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Zr Br","","- Br Zr -","- Br Zr -","- Br6 Zr6 -","6","0.166667","","Daake, R.L.; Corbett, J.D.","Zirconium monobromide, a second double metal sheet structure. Some physical and chemical properties of the metallic zirconium monochloride and monobromide","Inorganic Chemistry","1977","16","","2029","2033","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343769","23.656","","7.36","","16.718","","90","","128.1","","90","","2290.56","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(O H (Cr (N H3)5)2) Cl5 (H2 O)2","","- Cl5 Cr2 H35 N10 O3 -","- Cl5 Cr2 H35 N10 O3 -","- Cl20 Cr8 H140 N40 O12 -","4","0.5","","Engel, P.; Guedel, H.U.","Crystal structure and polarized electronic spectrum of mue-hydroxo-bis(pentaaminechromium) chloride dihydrate","Inorganic Chemistry","1977","16","","1589","1593","","","","","","","","","","","","","","","","","","","","","","has coordinates","301840","2025-08-20","23:44:56",""
"4343775","7.489","","10.897","","6.671","","90","","90","","90","","544.405","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","Fe2 F5 (H2 O)2","","- F5 Fe2 H4 O2 -","- F5 Fe2 O2 -","- F20 Fe8 O8 -","4","0.25","","Hall, W.; Kim, S.; Zubieta, J.; Walton, E.G.; Brown, D.B.","Structure of a mixed-valence iron fluoride, Fe2 F5 (H2 O)2","Inorganic Chemistry","1977","16","","1884","1887","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343782","10.741","","10.734","","10.538","","90","","90","","90","","1214.97","","","","","","","","","","","","","5","F m m m","-F 2 2","69","","Pb K2 (Cu (N O2)6)","","- Cu K2 N6 O12 Pb -","- Cu K2 N6 O12 Pb -","- Cu4 K8 N24 O48 Pb4 -","4","0.125","","Joesten, M.D.; Takagi, S.; Lenhert, P.G.","Structure of potassium lead hexanitrocuprate(II) at 276 K. An apparent compressed tetragonal Jahn-Teller distortion","Inorganic Chemistry","1977","16","","2680","2685","","","","","","","","","","","","","","","","","","","","","","has coordinates","301840","2025-08-20","23:44:56",""
"4343783","8.017","","8.017","","8.017","","90","","90","","90","","515.271","","","","","","","","","","","","","3","R 3 :R","P 3*","146","","","","- Co Ge1.5 S1.5 -","- Co Ge1.5 S1.5 -","- Co8 Ge12 S12 -","8","2.66667","","Korenstein, R.; Collin, G.; Soled, S.; Wold, A.","Preparation and characterization of the skutterudite-related phases Co Ge1.5 S1.5 and Co Ge1.5 Se1.5","Inorganic Chemistry","1977","16","","2344","2345","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4343784","8.299","","8.299","","8.299","","90","","90","","90","","571.58","","","","","","","","","","","","","3","R 3 :R","P 3*","146","","","","- Co Ge1.5 Se1.5 -","- Co Ge1.5 Se1.5 -","- Co8 Ge12 Se12 -","8","2.66667","","Korenstein, R.; Soled, S.; Wold, A.; Collin, G.","Preparation and characterization of the skutterudite-related phases Co Ge1.5 S1.5 and Co Ge1.5 Se1.5","Inorganic Chemistry","1977","16","","2344","2345","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4343791","10.048","","19.418","","9.735","","90","","95.83","","90","","1889.59","","","","","","","","","","","","","6","A 1 a 1","A -2ya","9","","(Mn4.11 Mg0.89) (Sb O4) (As O4) (Si O4)","","- As Mg0.89 Mn4.11 O12 Sb Si -","- As Mg0.91 Mn4.09 O12 Sb Si -","- As8 Mg7.28 Mn32.72 O96 Sb8 Si8 -","8","2","","Moore, P.B.; Araki, T.","Parwelite, Mn10 Sb2 As2 Si2 O24, a complex anion-deficient fluorite derivative structure","Inorganic Chemistry","1977","16","","1839","1847","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343794","9.816","","9.816","","20.341","","90","","90","","90","","1959.93","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","Te (O Te F5)4 F2","","- F22 O4 Te5 -","- F22 O4 Te5 -","- F88 O16 Te20 -","4","0.25","","Pritzkow, H.; Seppelt, K.","Crystal and molecular structure of Te5 O4 F22 : trans-F2 Te (O Te F5)4","Inorganic Chemistry","1977","16","","2685","2687","","","","","","","","","","","","","","","","","","","","","","has coordinates","301840","2025-08-20","23:44:56",""
"4343797","12.689","","12.689","","5.595","","90","","90","","90","","900.855","","","","","","","","","","","","","6","I 4/m c m","-I 4 2c","140","","Rb2 (Pt (C N)4) (F H F)0.40","","- C4 H0.4 F0.8 N4 Pt Rb2 -","- C4 F0.801 N4 Pt Rb2 -","- C16 F3.204 N16 Pt4 Rb8 -","4","0.125","","Schultz, A.J.; Coffey, C.C.; Williams, J.M.; Lee, G.C.","Structural studies of precursor and partially oxidized conducting salts.12.Crystal structure of Rb2 (Pt (C N)4) (FHF)0.40. A new lower limit for the platinum-platinum separation and the first anhydrous one-dimensional tetracyano...","Inorganic Chemistry","1977","16","","2129","2130","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344161","13.092","","7.9954","","10.299","","90","","90","","90","","1078.06","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","((N H3)5 Co S2 O3) Cl (H2 O)","","- Cl Co H17 N5 O4 S2 -","- Cl Co H17 N5 O4 S2 -","- Cl4 Co4 H68 N20 O16 S8 -","4","0.5","","Restivo, R.J.; Ferguson, G.; Balahura, R.J.","Kinetic investigation of the chromium(II) reduction of thiosulfatopentaamminecobalt(III). Refinement of the crystal structure of ((N H3)5 Co S2 O3) Cl (H2 O)","Inorganic Chemistry","1977","16","","167","171","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344386","11.338","","11.338","","13.386","","90","","90","","120","","1490.23","","","","","","","","","","","","","3","R 3 :H","R 3","146","","","","- Co2 Ge3 S3 -","- Co2 Ge3 S3 -","- Co24 Ge36 S36 -","12","1.33333","","Korenstein, R.; Wold, A.; Soled, S.; Collin, G.","Preparation and characterization of the skutterudite-related phases Co Ge1.5 S1.5 and Co Ge1.5 Se1.5","Inorganic Chemistry","1977","16","","2344","2346","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344527","4.131","","4.131","","4.131","","90","","90","","90","","70.496","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","K V F3","","- F3 K V -","- F3 K V -","- F3 K V -","1","0.0208333","","Williamson, R.F.; Boo, W.O.J.","Lower valence fluorides of vanadium. 1. Synthesis and characterization of Na V F3, K V F3 and Rb V F3","Inorganic Chemistry","1977","16","","646","648","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344528","4.182","","4.182","","4.182","","90","","90","","90","","73.14","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Rb V F3","","- F3 Rb V -","- F3 Rb V -","- F3 Rb V -","1","0.0208333","","Williamson, R.F.; Boo, W.O.J.","Lower valence fluorides of vanadium. 1. Synthesis and characterization of Na V F3, K V F3 and Rb V F3","Inorganic Chemistry","1977","16","","646","648","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4509850","4.964","0.004","23.85","0.018","10.416","0.008","90","","101.338","0.009","90","","1209.1","1.6","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F O4 -","- C14 H11 F O4 -","- C56 H44 F4 O16 -","4","1","","Yu, Guanping; Kuo, David; Shoham, Menachem; Viswanathan, Rajesh","Combinatorial Synthesis and in Vitro Evaluation of a Biaryl Hydroxyketone Library as Antivirulence Agents against MRSA.","ACS combinatorial science","2014","16","2","85","91","10.1021/co400142t","","","0.71073","MoKα","","0.0799","0.0484","","","0.1147","0.1331","","","","","","1.014","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4509851","26.329","0.006","6.6241","0.0015","7.3619","0.0017","90","","90","","90","","1284","0.5","180","2","180","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C15 H14 O4 -","- C15 H14 O4 -","- C60 H56 O16 -","4","1","","Yu, Guanping; Kuo, David; Shoham, Menachem; Viswanathan, Rajesh","Combinatorial Synthesis and in Vitro Evaluation of a Biaryl Hydroxyketone Library as Antivirulence Agents against MRSA.","ACS combinatorial science","2014","16","2","85","91","10.1021/co400142t","","","0.71073","MoKα","","0.0464","0.0381","","","0.0923","0.0983","","","","","","1.043","","","","has coordinates","301842","2025-08-21","00:37:21",""
"4510038","10.912","0.002","15.206","0.003","16.341","0.003","90","","95.182","0.006","90","","2700.3","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H20 Cl2 N2 O3 S -","- C31 H20 Cl2 N2 O3 S -","- C124 H80 Cl8 N8 O12 S4 -","4","1","","Yang, Jin-Ming; Hu, Yu; Li, Qiang; Yu, Fan; Cao, Jian; Fang, Dong; Huang, Zhi-Bin; Shi, Da-Qing","Efficient and regioselective synthesis of novel functionalized dispiropyrrolidines and their cytotoxic activities.","ACS combinatorial science","2014","16","3","139","145","10.1021/co400096c","","","0.7107","MoKα","","0.1131","0.0776","","","0.1671","0.1852","","","","","","1.125","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510039","7.8331","0.0013","10.443","0.002","16.69","0.003","101.953","0.003","94.064","0.003","111.538","0.004","1226.1","0.4","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H21 N3 O5 -","- C30 H21 N3 O5 -","- C60 H42 N6 O10 -","2","1","","Yang, Jin-Ming; Hu, Yu; Li, Qiang; Yu, Fan; Cao, Jian; Fang, Dong; Huang, Zhi-Bin; Shi, Da-Qing","Efficient and regioselective synthesis of novel functionalized dispiropyrrolidines and their cytotoxic activities.","ACS combinatorial science","2014","16","3","139","145","10.1021/co400096c","","","0.71075","MoKα","","0.0696","0.0452","","","0.1098","0.1228","","","","","","0.905","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510218","12.4676","0.0015","13.1793","0.0016","13.4844","0.0016","63.668","0.002","76.613","0.002","78.042","0.002","1917.9","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H35 Br N6 O7 -","- C40 H35 Br N6 O7 -","- C80 H70 Br2 N12 O14 -","2","1","","Shaabani, Shabnam; Shaabani, Ahmad; Ng, Seik Weng","One-Pot Synthesis of Coumarin-3-carboxamides Containing a Triazole Ring via an Isocyanide-Based Six-Component Reaction.","ACS combinatorial science","2014","16","4","176","183","10.1021/co4001259","","","0.71073","MoKα","","0.1532","0.0643","","","0.1635","0.2038","","","","","","1.016","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4510219","14.2931","0.0009","21.7265","0.0013","14.7749","0.0009","90","","111.905","0.001","90","","4256.9","0.5","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H41 Br N6 O8 S -","- C42 H41 Br N6 O8 S -","- C168 H164 Br4 N24 O32 S4 -","4","1","","Shaabani, Shabnam; Shaabani, Ahmad; Ng, Seik Weng","One-Pot Synthesis of Coumarin-3-carboxamides Containing a Triazole Ring via an Isocyanide-Based Six-Component Reaction.","ACS combinatorial science","2014","16","4","176","183","10.1021/co4001259","","","0.71073","MoKα","","0.0959","0.0552","","","0.1411","0.1632","","","","","","1.029","","","","has coordinates,has disorder","301843","2025-08-21","01:58:35",""
"4510220","14.81","0.0011","9.6105","0.0007","26.577","0.002","90","","104.266","0.001","90","","3666.1","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H38 Br N5 O5 -","- C41 H38 Br N5 O5 -","- C164 H152 Br4 N20 O20 -","4","1","","Shaabani, Shabnam; Shaabani, Ahmad; Ng, Seik Weng","One-Pot Synthesis of Coumarin-3-carboxamides Containing a Triazole Ring via an Isocyanide-Based Six-Component Reaction.","ACS combinatorial science","2014","16","4","176","183","10.1021/co4001259","","","0.71073","MoKα","","0.1028","0.0505","","","0.1174","0.141","","","","","","1.011","","","","has coordinates,has disorder","301843","2025-08-21","01:58:35",""
"4510221","11.477","0.0012","20.657","0.002","10.078","0.0012","90","","113.922","0.002","90","","2184.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 N3 O3 -","- C22 H29 N3 O3 -","- C88 H116 N12 O12 -","4","1","","Ma, Guan-Hua; Tu, Xing-Jun; Ning, Yi; Jiang, Bo; Tu, Shu-Jiang","Efficient Domino Strategy for the Synthesis of Polyfunctionalized Benzofuran-4(5H)-ones and Cinnoline-4-carboxamides.","ACS combinatorial science","2014","16","6","281","286","10.1021/co5000097","","","0.71073","MoKα","","0.1911","0.0709","","","0.1405","0.2146","","","","","","1.021","","","","has coordinates,has disorder","301843","2025-08-21","01:58:35",""
"4510270","8.3089","0.0011","16.1429","0.0015","20.651","0.002","90","","100.411","0.002","90","","2724.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 N2 O5 -","- C34 H28 N2 O5 -","- C136 H112 N8 O20 -","4","1","","Fu, Lei; Lin, Wei; Hu, Ming-Hua; Liu, Xue-Cheng; Huang, Zhi-Bin; Shi, Da-Qing","Efficient Synthesis of Functionalized Benzo[b][1,8]naphthyridine Derivatives via Three-Component Reaction Catalyzed by l-Proline.","ACS combinatorial science","2014","16","5","238","","10.1021/co4001524","","","1.54178","CuKα","","0.2151","0.0691","","","0.0782","0.1326","","","","","","0.997","","","","has coordinates","301843","2025-08-21","01:58:35",""
"4511893","8.7561","0.0009","9.8293","0.0008","10.7014","0.0009","102.747","0.007","100.48","0.008","106.662","0.008","830.46","0.14","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N3 O3 -","- C19 H19 N3 O3 -","- C38 H38 N6 O6 -","2","1","","Peshkov, Vsevolod A.; Peshkov, Anatoly A.; Pereshivko, Olga P.; Van Hecke, Kristof; Zamigaylo, Lali L.; Van der Eycken, Erik V.; Gorobets, Nikolay Yu","Three-Component Reaction of a 2-Aminoazine, a 2-Oxoaldehyde, and a Cyclic 1,3-Dicarbonyl Compound for the Synthesis of Imidazo[1,2-a]azine Derivatives.","ACS combinatorial science","2014","16","10","535","542","10.1021/co5000695","","","1.5418","CuKα","","0.0692","0.0518","","","0.132","0.1485","","","","","","1.039","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511894","7.7985","0.0007","8.6433","0.0008","11.7773","0.0007","88.318","0.006","87.011","0.006","63.972","0.009","712.35","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 N4 O4 -","- C14 H16 N4 O4 -","- C28 H32 N8 O8 -","2","1","","Peshkov, Vsevolod A.; Peshkov, Anatoly A.; Pereshivko, Olga P.; Van Hecke, Kristof; Zamigaylo, Lali L.; Van der Eycken, Erik V.; Gorobets, Nikolay Yu","Three-Component Reaction of a 2-Aminoazine, a 2-Oxoaldehyde, and a Cyclic 1,3-Dicarbonyl Compound for the Synthesis of Imidazo[1,2-a]azine Derivatives.","ACS combinatorial science","2014","16","10","535","542","10.1021/co5000695","","","1.5418","CuKα","","0.0511","0.0405","","","0.1123","0.1225","","","","","","1.04","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4512194","6.8826","0.0003","9.9286","0.0011","14.9213","0.0016","87.899","0.009","79.461","0.007","81.747","0.007","992","0.16","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H14 Cl2 N4 -","- C22 H14 Cl2 N4 -","- C44 H28 Cl4 N8 -","2","1","","Das, Paramita; Chaudhuri, Tandrima; Mukhopadhyay, Chhanda","Pseudo-five-component domino strategy for the combinatorial library synthesis of [1,6] naphthyridines-an on-water approach.","ACS combinatorial science","2014","16","11","606","613","10.1021/co400162m","","","1.54184","CuKα","","0.0776","0.0698","","","0.2099","0.2315","","","","","","1.13","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512195","9.9246","0.0004","19.2913","0.0006","9.2604","0.0004","90","","115.353","0.005","90","","1602.22","0.13","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 N4 S2 -","- C18 H12 N4 S2 -","- C72 H48 N16 S8 -","4","1","","Das, Paramita; Chaudhuri, Tandrima; Mukhopadhyay, Chhanda","Pseudo-five-component domino strategy for the combinatorial library synthesis of [1,6] naphthyridines-an on-water approach.","ACS combinatorial science","2014","16","11","606","613","10.1021/co400162m","","","1.54184","CuKα","","0.0647","0.052","","","0.1404","0.1537","","","","","","1.052","","","","has coordinates,has disorder","301843","2025-08-21","01:58:38",""
"4512196","24.3833","0.0015","10.9507","0.0006","21.0261","0.0015","90","","102.648","0.003","90","","5478","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 N4 O2 S -","- C30 H26 N4 O2 S -","- C240 H208 N32 O16 S8 -","8","1","","Das, Paramita; Chaudhuri, Tandrima; Mukhopadhyay, Chhanda","Pseudo-five-component domino strategy for the combinatorial library synthesis of [1,6] naphthyridines-an on-water approach.","ACS combinatorial science","2014","16","11","606","613","10.1021/co400162m","","","0.71073","MoKα","","0.0656","0.0484","","","0.1454","0.1655","","","","","","0.939","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512197","11.1947","0.0004","6.8437","0.0003","31.9454","0.0012","90","","99.735","0.001","90","","2412.2","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Cl2 N4 O -","- C28 H20 Cl2 N4 O -","- C112 H80 Cl8 N16 O4 -","4","1","","Das, Paramita; Chaudhuri, Tandrima; Mukhopadhyay, Chhanda","Pseudo-five-component domino strategy for the combinatorial library synthesis of [1,6] naphthyridines-an on-water approach.","ACS combinatorial science","2014","16","11","606","613","10.1021/co400162m","","","0.71073","MoKα","","0.0728","0.0548","","","0.2231","0.2499","","","","","","1.002","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4513702","7.9863","0.0012","8.387","0.0013","14.661","0.002","86.954","0.002","82.083","0.002","89.148","0.002","971.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 N12 O8 U -","- C42 H32 N12 O8 U -","- C42 H32 N12 O8 U -","1","0.5","","Thangavelu, Sonia G.; Cahill, Christopher L.","A Family of Uranyl Coordination Polymers Containing O-Donor Dicarboxylates and Trispyridyltriazine Guests","Crystal Growth & Design","2016","16","1","42","","10.1021/acs.cgd.5b00778","","","0.71073","MoKα","","0.0307","0.0304","","","0.075","0.0753","","","","","","1.047","","","","has coordinates","175771","2020-10-21","18:00:00",""
"4513703","7.4226","0.0007","8.8963","0.0009","14.8043","0.0015","93.345","0.001","94.804","0.001","91.285","0.001","972.12","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H28 N12 O8 U -","- C44 H28 N12 O8 U -","- C44 H28 N12 O8 U -","1","0.5","","Thangavelu, Sonia G.; Cahill, Christopher L.","A Family of Uranyl Coordination Polymers Containing O-Donor Dicarboxylates and Trispyridyltriazine Guests","Crystal Growth & Design","2016","16","1","42","","10.1021/acs.cgd.5b00778","","","0.71073","MoKα","","0.0168","0.0168","","","0.0444","0.0444","","","","","","1.11","","","","has coordinates","175771","2020-10-21","18:00:00",""
"4513704","23.2799","0.001","8.1784","0.0004","19.5232","0.0008","90","","90","","90","","3717.1","0.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C42 H25 N6 Na O11 U -","- C42 H25 N6 Na O11 U -","- C168 H100 N24 Na4 O44 U4 -","4","1","","Thangavelu, Sonia G.; Cahill, Christopher L.","A Family of Uranyl Coordination Polymers Containing O-Donor Dicarboxylates and Trispyridyltriazine Guests","Crystal Growth & Design","2016","16","1","42","","10.1021/acs.cgd.5b00778","","","0.71073","MoKα","","0.0181","0.015","","","0.0347","0.0353","","","","","","1.051","","","","has coordinates","175771","2020-10-21","18:00:00",""
"4513705","9.3441","0.0004","13.2595","0.0005","16.5534","0.0006","99.179","0.001","101.204","0.001","106.388","0.001","1879.38","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H24 N7 Na O9 U -","- C40 H24 N7 Na O9 U -","- C80 H48 N14 Na2 O18 U2 -","2","1","","Thangavelu, Sonia G.; Cahill, Christopher L.","A Family of Uranyl Coordination Polymers Containing O-Donor Dicarboxylates and Trispyridyltriazine Guests","Crystal Growth & Design","2016","16","1","42","","10.1021/acs.cgd.5b00778","","","0.71073","MoKα","","0.0271","0.0223","","","0.0527","0.0544","","","","","","1.059","","","","has coordinates","175771","2020-10-21","18:00:00",""
"4513706","10.0451","0.0005","8.6712","0.0005","12.9992","0.0007","90","","102.513","0.006","90","","1105.38","0.11","294.9","0.3","294.9","0.3","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H30 N2 O7 -","- C23 H30 N2 O7 -","- C46 H60 N4 O14 -","2","1","","Sánchez-Guadarrama, Obdulia; Mendoza-Navarro, Fabiola; Cedillo-Cruz, Alberto; Jung-Cook, Helgi; Arenas-García, Jenniffer I.; Delgado-Díaz, Alejandra; Herrera-Ruiz, Dea; Morales-Rojas, Hugo; Höpfl, Herbert","Chiral Resolution ofRS-Praziquantel via Diastereomeric Co-Crystal Pair Formation withl-Malic Acid","Crystal Growth & Design","2016","16","1","307","","10.1021/acs.cgd.5b01254","","x-ray","0.71073","MoKα","","0.0438","0.0397","","","0.0872","0.0899","","","","","","1.051","","","","has coordinates,has disorder","175772","2020-10-21","18:00:00",""
"4513707","10.6543","0.001","8.4144","0.0007","13.5321","0.0011","90","","112.765","0.01","90","","1118.64","0.19","294.8","0.3","294.8","0.3","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H30 N2 O7 -","- C23 H30 N2 O7 -","- C46 H60 N4 O14 -","2","1","","Sánchez-Guadarrama, Obdulia; Mendoza-Navarro, Fabiola; Cedillo-Cruz, Alberto; Jung-Cook, Helgi; Arenas-García, Jenniffer I.; Delgado-Díaz, Alejandra; Herrera-Ruiz, Dea; Morales-Rojas, Hugo; Höpfl, Herbert","Chiral Resolution ofRS-Praziquantel via Diastereomeric Co-Crystal Pair Formation withl-Malic Acid","Crystal Growth & Design","2016","16","1","307","","10.1021/acs.cgd.5b01254","","x-ray","0.71073","MoKα","","0.0488","0.0434","","","0.0991","0.1028","","","","","","1.08","","","","has coordinates","175772","2020-10-21","18:00:00",""
"4513708","14.3346","0.0003","14.3346","0.0003","31.2665","0.0013","90","","90","","120","","5563.9","0.3","120","2","120","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C74.33 Cl6 Fe O12 P3 -","- C72 H45 Cl6 Fe O12 P3.003 -","- C216 H135 Cl18 Fe3 O36 P9.009 -","3","0.333333","","Benmansour, Samia; Gómez-Claramunt, Patricia; Vallés-García, Cristina; Mínguez Espallargas, Guillermo; Gómez García, Carlos J.","Key Role of the Cation in the Crystallization of Chiral Tris(Anilato)Metalate Magnetic Anions","Crystal Growth & Design","2016","16","1","518","","10.1021/acs.cgd.5b01573","","","0.71073","MoKα","","0.1551","0.1175","","","0.3126","0.3487","","","","","","1.204","","","","has coordinates,has disorder","175769","2020-10-21","18:00:00",""
"4513709","13.7613","0.0003","14.5276","0.0004","19.3308","0.0005","90","","90","","90","","3864.59","0.17","120","2","120","2","","","","","","","","6","P 2 c b","P -2bc 2","32","","","","- C81 H66 Cl6 Ga O12 P3 -","- C81 H66 Cl6 Ga O12 P3 -","- C162 H132 Cl12 Ga2 O24 P6 -","2","0.5","","Benmansour, Samia; Gómez-Claramunt, Patricia; Vallés-García, Cristina; Mínguez Espallargas, Guillermo; Gómez García, Carlos J.","Key Role of the Cation in the Crystallization of Chiral Tris(Anilato)Metalate Magnetic Anions","Crystal Growth & Design","2016","16","1","518","","10.1021/acs.cgd.5b01573","","","0.71073","MoKα","","0.1021","0.0805","","","0.207","0.22","","","","","","1.098","","","","has coordinates,has disorder","175769","2020-10-21","18:00:00",""
"4513710","14.4289","0.0004","14.4289","0.0004","31.393","0.0011","90","","90","","120","","5660.2","0.3","120","2","120","2","","","","","","","","6","R 3","R 3","146","","","","- C78 H60 Br6 Fe O12 P3 -","- C75 H45 Br6 Fe O12 P3 -","- C225 H135 Br18 Fe3 O36 P9 -","3","","","Benmansour, Samia; Gómez-Claramunt, Patricia; Vallés-García, Cristina; Mínguez Espallargas, Guillermo; Gómez García, Carlos J.","Key Role of the Cation in the Crystallization of Chiral Tris(Anilato)Metalate Magnetic Anions","Crystal Growth & Design","2016","16","1","518","","10.1021/acs.cgd.5b01573","","","0.71073","MoKα","","0.1069","0.0875","","","0.2328","0.254","","","","","","1.076","","","","has coordinates,has disorder","175769","2020-10-21","18:00:00",""
"4513711","11.1092","0.0012","12.641","0.0014","30.199","0.003","85.474","0.009","85.232","0.009","68.212","0.01","3919","0.8","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H108 Fe N6 O24 P3 -","- C66 H108 Fe N6 O24 P3 -","- C132 H216 Fe2 N12 O48 P6 -","2","1","","Benmansour, Samia; Gómez-Claramunt, Patricia; Vallés-García, Cristina; Mínguez Espallargas, Guillermo; Gómez García, Carlos J.","Key Role of the Cation in the Crystallization of Chiral Tris(Anilato)Metalate Magnetic Anions","Crystal Growth & Design","2016","16","1","518","","10.1021/acs.cgd.5b01573","","","0.71073","MoKα","","0.2861","0.1022","","","0.1954","0.2727","","","","","","0.978","","","","has coordinates,has disorder","175769","2020-10-21","18:00:00",""
"4513712","11.1016","0.0008","12.615","0.002","30.134","0.003","85.271","0.01","85.275","0.007","68.409","0.01","3904.5","0.8","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H108 Cr N6 O24 P3 -","- C66 H108 Cr N6 O24 P3 -","- C132 H216 Cr2 N12 O48 P6 -","2","1","","Benmansour, Samia; Gómez-Claramunt, Patricia; Vallés-García, Cristina; Mínguez Espallargas, Guillermo; Gómez García, Carlos J.","Key Role of the Cation in the Crystallization of Chiral Tris(Anilato)Metalate Magnetic Anions","Crystal Growth & Design","2016","16","1","518","","10.1021/acs.cgd.5b01573","","","0.71073","MoKα","","0.304","0.1058","","","0.1249","0.1953","","","","","","0.954","","","","has coordinates","175769","2020-10-21","18:00:00",""
"4513713","13.7948","0.0004","14.5418","0.0004","19.4102","0.0005","90","","90","","90","","3893.71","0.19","120","2","120","2","","","","","","","","6","P 2 c b","P -2bc 2","32","","","","- C81 H67 Cl6 Fe O12 P3 -","- C81 H67 Cl6 Fe O12 P3 -","- C162 H134 Cl12 Fe2 O24 P6 -","2","0.5","","Benmansour, Samia; Gómez-Claramunt, Patricia; Vallés-García, Cristina; Mínguez Espallargas, Guillermo; Gómez García, Carlos J.","Key Role of the Cation in the Crystallization of Chiral Tris(Anilato)Metalate Magnetic Anions","Crystal Growth & Design","2016","16","1","518","","10.1021/acs.cgd.5b01573","","","0.71073","MoKα","","0.102","0.0782","","","0.2043","0.2211","","","","","","1.102","","","","has coordinates,has disorder","175769","2020-10-21","18:00:00",""
"4513714","25.395","0.009","5.043","0.0017","27.771","0.01","90","","96.397","0.012","90","","3534","2","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H24 N2 O4 -","- C19 H24 N2 O4 -","- C152 H192 N16 O32 -","8","1","","Martins, Inês C. B.; Sardo, Mariana; Santos, Sérgio M.; Fernandes, Auguste; Antunes, Alexandra; André, Vânia; Mafra, Luís; Duarte, M. Teresa","Packing Interactions and Physicochemical Properties of Novel Multicomponent Crystal Forms of the Anti-Inflammatory Azelaic Acid Studied by X-ray and Solid-State NMR","Crystal Growth & Design","2016","16","1","154","","10.1021/acs.cgd.5b01057","","","0.71073","MoKα","","0.2114","0.0828","","","0.1737","0.233","","","","","","0.903","","","","has coordinates","301843","2025-08-21","01:58:41",""
"4513715","10.3635","0.0018","7.6322","0.0018","33.649","0.006","90","","90","","90","","2661.5","0.9","150","","150","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H22 N O4 -","- C12 H22 N O4 -","- C96 H176 N8 O32 -","8","1","","Martins, Inês C. B.; Sardo, Mariana; Santos, Sérgio M.; Fernandes, Auguste; Antunes, Alexandra; André, Vânia; Mafra, Luís; Duarte, M. Teresa","Packing Interactions and Physicochemical Properties of Novel Multicomponent Crystal Forms of the Anti-Inflammatory Azelaic Acid Studied by X-ray and Solid-State NMR","Crystal Growth & Design","2016","16","1","154","","10.1021/acs.cgd.5b01057","","","0.71073","MoKα","","0.2392","0.0946","","","0.2214","0.2874","","","","","","0.893","","","","has coordinates","175768","2020-10-21","18:00:00",""
"4513716","5.4707","0.0013","11.392","0.002","23.997","0.005","102.811","0.008","93.137","0.009","99.602","0.01","1431.3","0.5","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H50 N2 O10 -","- C26 H50 N2 O10 -","- C52 H100 N4 O20 -","2","1","","Martins, Inês C. B.; Sardo, Mariana; Santos, Sérgio M.; Fernandes, Auguste; Antunes, Alexandra; André, Vânia; Mafra, Luís; Duarte, M. Teresa","Packing Interactions and Physicochemical Properties of Novel Multicomponent Crystal Forms of the Anti-Inflammatory Azelaic Acid Studied by X-ray and Solid-State NMR","Crystal Growth & Design","2016","16","1","154","","10.1021/acs.cgd.5b01057","","","0.71073","MoKα","","0.1164","0.056","","","0.1104","0.1319","","","","","","0.975","","","","has coordinates","175768","2020-10-21","18:00:00",""
"4513717","8.024","0.002","9.472","0.002","17.545","0.004","96.603","0.01","98.893","0.007","93.006","0.008","1305.4","0.5","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H46 N2 O10 -","- C22 H46 N2 O10 -","- C44 H92 N4 O20 -","2","1","","Martins, Inês C. B.; Sardo, Mariana; Santos, Sérgio M.; Fernandes, Auguste; Antunes, Alexandra; André, Vânia; Mafra, Luís; Duarte, M. Teresa","Packing Interactions and Physicochemical Properties of Novel Multicomponent Crystal Forms of the Anti-Inflammatory Azelaic Acid Studied by X-ray and Solid-State NMR","Crystal Growth & Design","2016","16","1","154","","10.1021/acs.cgd.5b01057","","","0.71073","MoKα","","0.1703","0.0727","","","0.1521","0.1794","","","","","","0.868","","","","has coordinates","301843","2025-08-21","01:58:41",""
"4513718","5.706","0.009","9.274","0.002","14.059","0.003","90","","98.052","0.007","90","","736.6","1.2","150","","150","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C13 H26 N2 O4 -","- C13 H26 N2 O4 -","- C26 H52 N4 O8 -","2","0.5","","Martins, Inês C. B.; Sardo, Mariana; Santos, Sérgio M.; Fernandes, Auguste; Antunes, Alexandra; André, Vânia; Mafra, Luís; Duarte, M. Teresa","Packing Interactions and Physicochemical Properties of Novel Multicomponent Crystal Forms of the Anti-Inflammatory Azelaic Acid Studied by X-ray and Solid-State NMR","Crystal Growth & Design","2016","16","1","154","","10.1021/acs.cgd.5b01057","","","0.71069","MoKα","","0.1048","0.0528","","","0.1231","0.1389","","","","","","0.952","","","","has coordinates","175768","2020-10-21","18:00:00",""
"4513725","6.2669","0.0003","11.7767","0.0008","11.965","0.0007","66.479","0.005","76.664","0.004","77.411","0.005","779.97","0.09","200","2","200","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H39 Cl Li4 O6 -","- C30 H39 Cl Li4 O6 -","- C30 H39 Cl Li4 O6 -","1","1","","Crochet, Aurélien; Brog, Jean-Pierre; Fromm, Katharina M.","Mixed Metal Multinuclear Cr(III) Cage Compounds and Coordination Polymers Based on Unsubstituted Phenolate: Design, Synthesis, Mechanism, and Properties","Crystal Growth & Design","2016","16","1","189","","10.1021/acs.cgd.5b01084","","x-ray","0.71073","MoKα","","0.2114","0.0982","","","0.1037","0.1257","","","","","","0.965","","","","has coordinates","301843","2025-08-21","01:58:41",""
"4513726","14.0733","0.0003","19.226","0.0005","26.8165","0.0007","90","","90.716","0.002","90","","7255.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H89 Cl2 Cr2 Li5 O15 -","- C72 H88 Cl2 Cr2 Li5 O15 -","- C288 H352 Cl8 Cr8 Li20 O60 -","4","1","","Crochet, Aurélien; Brog, Jean-Pierre; Fromm, Katharina M.","Mixed Metal Multinuclear Cr(III) Cage Compounds and Coordination Polymers Based on Unsubstituted Phenolate: Design, Synthesis, Mechanism, and Properties","Crystal Growth & Design","2016","16","1","189","","10.1021/acs.cgd.5b01084","","x-ray","0.71073","MoKα","","0.1748","0.0946","","","0.2144","0.2539","","","","","","1.058","","","","has coordinates","175770","2020-10-21","18:00:00",""
"4513727","15.3093","0.0005","13.7569","0.0003","17.2503","0.0006","90","","106.529","0.003","90","","3482.93","0.19","200","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H90 Cr2 Li4 O16 -","- C72 H90 Cr2 Li4 O16 -","- C144 H180 Cr4 Li8 O32 -","2","0.5","","Crochet, Aurélien; Brog, Jean-Pierre; Fromm, Katharina M.","Mixed Metal Multinuclear Cr(III) Cage Compounds and Coordination Polymers Based on Unsubstituted Phenolate: Design, Synthesis, Mechanism, and Properties","Crystal Growth & Design","2016","16","1","189","","10.1021/acs.cgd.5b01084","","x-ray","0.71073","MoKα","","0.0887","0.0788","","","0.2096","0.2175","","","","","","1.036","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4513728","31.8702","0.0005","31.8702","0.0005","31.8702","0.0005","90","","90","","90","","32370.9","0.9","200","2","200","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C78 H94 Cr3 Li3 O17 -","- C78 H93 Cr3 Li3 O17 -","- C1248 H1488 Cr48 Li48 O272 -","16","0.333333","","Crochet, Aurélien; Brog, Jean-Pierre; Fromm, Katharina M.","Mixed Metal Multinuclear Cr(III) Cage Compounds and Coordination Polymers Based on Unsubstituted Phenolate: Design, Synthesis, Mechanism, and Properties","Crystal Growth & Design","2016","16","1","189","","10.1021/acs.cgd.5b01084","","","0.71073","MoKα","","0.0965","0.0809","","","0.1543","0.1607","","","","","","1.203","","","","has coordinates","175770","2020-10-21","18:00:00",""
"4513729","14.41","0.002","15.24","0.002","17.062","0.003","65.919","0.011","76.997","0.013","72.015","0.012","3232.5","0.9","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C104 H132 Cl2 Cr4 Li8 Ni O28 -","- C104 H124 Cl2 Cr4 Li8 Ni O28 -","- C104 H124 Cl2 Cr4 Li8 Ni O28 -","1","0.5","","Crochet, Aurélien; Brog, Jean-Pierre; Fromm, Katharina M.","Mixed Metal Multinuclear Cr(III) Cage Compounds and Coordination Polymers Based on Unsubstituted Phenolate: Design, Synthesis, Mechanism, and Properties","Crystal Growth & Design","2016","16","1","189","","10.1021/acs.cgd.5b01084","","x-ray","0.71073","MoKα","","0.3969","0.149","","","0.2174","0.309","","","","","","0.81","","","","has coordinates","175770","2020-10-21","18:00:00",""
"4513730","3.9645","0.0002","7.2398","0.0004","9.2813","0.0005","86.918","0.004","79.841","0.004","87.105","0.004","261.61","0.02","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H16 Cl2 Cr O2 -","- C8 H16 Cl2 Cr O2 -","- C8 H16 Cl2 Cr O2 -","1","0.5","","Crochet, Aurélien; Brog, Jean-Pierre; Fromm, Katharina M.","Mixed Metal Multinuclear Cr(III) Cage Compounds and Coordination Polymers Based on Unsubstituted Phenolate: Design, Synthesis, Mechanism, and Properties","Crystal Growth & Design","2016","16","1","189","","10.1021/acs.cgd.5b01084","","x-ray","0.71073","MoKα","","0.0492","0.0402","","","0.1196","0.1213","","","","","","1.344","","","","has coordinates","175770","2020-10-21","18:00:00",""
"4513731","13.639","0.0003","14.463","0.0003","14.391","0.0003","98.203","0.002","109.422","0.001","115.869","0.001","2266.23","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H112 Cl2 Cr4 Li6 O24 -","- C80 H112 Cl2 Cr4 Li6 O24 -","- C80 H112 Cl2 Cr4 Li6 O24 -","1","0.5","","Crochet, Aurélien; Brog, Jean-Pierre; Fromm, Katharina M.","Mixed Metal Multinuclear Cr(III) Cage Compounds and Coordination Polymers Based on Unsubstituted Phenolate: Design, Synthesis, Mechanism, and Properties","Crystal Growth & Design","2016","16","1","189","","10.1021/acs.cgd.5b01084","","x-ray","0.71073","MoKα","","0.095","0.0789","","","0.1781","0.1862","","","","","","1.091","","","","has coordinates","301843","2025-08-21","01:58:42",""
"4516365","16.085","","16.0849","0.0013","20.246","0.0017","90","","90","","90","","5238.2","0.6","293","2","293","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C24 H18 Cd N4 O6 S -","- C24 H18 Cd N4 O6 S -","- C192 H144 Cd8 N32 O48 S8 -","8","1","","Ju, Zemin; Yan, Wei; Gao, Xiangjing; Shi, Zhenzhen; Wang, Ting; Zheng, Hegen","Syntheses, Characterization, and Luminescence Properties of Four Metal‒Organic Frameworks Based on a Linear-Shaped Rigid Pyridine Ligand","Crystal Growth & Design","2016","16","5","2496","","10.1021/acs.cgd.5b00681","","","0.71073","MoKα","","0.0433","0.0345","","","0.0961","0.1019","","","","","","1.14","","","","has coordinates","231270","2020-10-21","18:00:00",""
"4516366","9.434","0.0008","12.8307","0.0011","20.1416","0.0017","84.029","0.001","78.849","0.001","88.569","0.001","2379","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H28 N8 O8 S2 Zn2 -","- C48 H28 N8 O8 S2 Zn2 -","- C96 H56 N16 O16 S4 Zn4 -","2","1","","Ju, Zemin; Yan, Wei; Gao, Xiangjing; Shi, Zhenzhen; Wang, Ting; Zheng, Hegen","Syntheses, Characterization, and Luminescence Properties of Four Metal‒Organic Frameworks Based on a Linear-Shaped Rigid Pyridine Ligand","Crystal Growth & Design","2016","16","5","2496","","10.1021/acs.cgd.5b00681","","","0.71073","MoKα","","0.0915","0.084","","","0.2433","0.2545","","","","","","1.085","","","","has coordinates","231270","2020-10-21","18:00:00",""
"4516367","18.396","0.004","15.81","0.004","17.018","0.004","90","","90","","90","","4950","2","296","2","296","2","","","","","","","","6","P c c 2","P 2 -2c","27","","","","- C96 H58 Co4 N16 O17 S4 -","- C96 H58 Co4 N16 O17 S4 -","- C192 H116 Co8 N32 O34 S8 -","2","0.5","","Ju, Zemin; Yan, Wei; Gao, Xiangjing; Shi, Zhenzhen; Wang, Ting; Zheng, Hegen","Syntheses, Characterization, and Luminescence Properties of Four Metal‒Organic Frameworks Based on a Linear-Shaped Rigid Pyridine Ligand","Crystal Growth & Design","2016","16","5","2496","","10.1021/acs.cgd.5b00681","","","0.71073","MoKα","","0.0548","0.0482","","","0.1457","0.152","","","","","","1.075","","","","has coordinates","231270","2020-10-21","18:00:00",""
"4516368","10.314","0.004","7.447","0.003","24.04","0.009","90","","95.034","0.005","90","","1839.4","1.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 N8 Ni O8 S2 -","- C40 H32 N8 Ni O8 S2 -","- C80 H64 N16 Ni2 O16 S4 -","2","0.5","","Ju, Zemin; Yan, Wei; Gao, Xiangjing; Shi, Zhenzhen; Wang, Ting; Zheng, Hegen","Syntheses, Characterization, and Luminescence Properties of Four Metal–Organic Frameworks Based on a Linear-Shaped Rigid Pyridine Ligand","Crystal Growth & Design","2016","16","5","2496","","10.1021/acs.cgd.5b00681","","","0.71073","MoKα","","0.0567","0.0401","","","0.1057","0.114","","","","","","1.048","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516413","13.4195","0.0009","13.5573","0.0008","16.1853","0.0008","90","","109.174","0.002","90","","2781.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H39 Cl2 Hg N3 O2 -","- C23 H39 Cl2 Hg N3 O2 -","- C92 H156 Cl8 Hg4 N12 O8 -","4","1","","Rana, Love Karan; Sharma, Sanyog; Hundal, Geeta","First Report on Crystal Engineering of Hg(II) Halides with Fully Substituted 3,4-Pyridinedicarboxamides: Generation of Two-Dimensional Coordination Polymers and Linear Zig-Zag Chains of Mercury Metal Ions","Crystal Growth & Design","2015","16","1","92","","10.1021/acs.cgd.5b00989","","","0.71073","MoKα","","0.0535","0.0362","","","0.0801","0.0872","","","","","","1.005","","","","has coordinates","231293","2020-10-21","18:00:00",""
"4516414","16.5303","0.0014","11.5036","0.0007","14.1773","0.0011","90","","100.657","0.003","90","","2649.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H62 Hg2 I4 N6 O4 -","- C38 H62 Hg2 I4 N6 O4 -","- C76 H124 Hg4 I8 N12 O8 -","2","0.5","","Rana, Love Karan; Sharma, Sanyog; Hundal, Geeta","First Report on Crystal Engineering of Hg(II) Halides with Fully Substituted 3,4-Pyridinedicarboxamides: Generation of Two-Dimensional Coordination Polymers and Linear Zig-Zag Chains of Mercury Metal Ions","Crystal Growth & Design","2015","16","1","92","","10.1021/acs.cgd.5b00989","","","0.71073","MoKα","","0.061","0.0366","","","0.0879","0.0996","","","","","","1.01","","","","has coordinates","231294","2020-10-21","18:00:00",""
"4516415","33.187","0.008","8.2084","0.0018","23.606","0.006","90","","113.992","0.012","90","","5875","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H78 Hg2 I4 N6 O4 -","- C46 H78 Hg2 I4 N6 O4 -","- C184 H312 Hg8 I16 N24 O16 -","4","0.5","","Rana, Love Karan; Sharma, Sanyog; Hundal, Geeta","First Report on Crystal Engineering of Hg(II) Halides with Fully Substituted 3,4-Pyridinedicarboxamides: Generation of Two-Dimensional Coordination Polymers and Linear Zig-Zag Chains of Mercury Metal Ions","Crystal Growth & Design","2015","16","1","92","","10.1021/acs.cgd.5b00989","","","0.71073","MoKα","","0.0657","0.0428","","","0.1007","0.1084","","","","","","1.093","","","","has coordinates","231295","2020-10-21","18:00:00",""
"4516416","13.321","0.002","13.535","0.002","16.036","0.003","90","","109.171","0.009","90","","2730.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H39 Br2 Hg N3 O2 -","- C23 H39 Br2 Hg N3 O2 -","- C92 H156 Br8 Hg4 N12 O8 -","4","1","","Rana, Love Karan; Sharma, Sanyog; Hundal, Geeta","First Report on Crystal Engineering of Hg(II) Halides with Fully Substituted 3,4-Pyridinedicarboxamides: Generation of Two-Dimensional Coordination Polymers and Linear Zig-Zag Chains of Mercury Metal Ions","Crystal Growth & Design","2015","16","1","92","","10.1021/acs.cgd.5b00989","","","0.71073","MoKα","","0.0557","0.0485","","","0.1224","0.1261","","","","","","1.057","","","","has coordinates","231296","2020-10-21","18:00:00",""
"4516417","14.552","0.0008","7.715","0.0019","36.234","0.005","90","","90","","90","","4067.9","1.2","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H31 N3 O2 -","- C19 H31 N3 O2 -","- C152 H248 N24 O16 -","8","2","","Rana, Love Karan; Sharma, Sanyog; Hundal, Geeta","First Report on Crystal Engineering of Hg(II) Halides with Fully Substituted 3,4-Pyridinedicarboxamides: Generation of Two-Dimensional Coordination Polymers and Linear Zig-Zag Chains of Mercury Metal Ions","Crystal Growth & Design","2015","16","1","92","","10.1021/acs.cgd.5b00989","","","0.71073","MoKα","","0.1418","0.0981","","","0.2579","0.2879","","","","","","1.022","","","","has coordinates","301843","2025-08-21","01:58:46",""
"4516418","7.243","0.0008","11.3025","0.0012","17.7426","0.0018","80.61","0.004","83.799","0.002","73.323","0.004","1369.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H31 Cl4 Hg2 N3 O2 -","- C19 H31 Cl4 Hg2 N3 O2 -","- C38 H62 Cl8 Hg4 N6 O4 -","2","1","","Rana, Love Karan; Sharma, Sanyog; Hundal, Geeta","First Report on Crystal Engineering of Hg(II) Halides with Fully Substituted 3,4-Pyridinedicarboxamides: Generation of Two-Dimensional Coordination Polymers and Linear Zig-Zag Chains of Mercury Metal Ions","Crystal Growth & Design","2015","16","1","92","","10.1021/acs.cgd.5b00989","","","0.71073","MoKα","","0.0701","0.0541","","","0.147","0.1564","","","","","","1.265","","","","has coordinates","231298","2020-10-21","18:00:00",""
"4516419","15.681","0.004","10.788","0.003","14.561","0.004","90","","99.877","0.007","90","","2426.7","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H31 Br2 Hg N3 O2 -","- C19 H31 Br2 Hg N3 O2 -","- C76 H124 Br8 Hg4 N12 O8 -","4","1","","Rana, Love Karan; Sharma, Sanyog; Hundal, Geeta","First Report on Crystal Engineering of Hg(II) Halides with Fully Substituted 3,4-Pyridinedicarboxamides: Generation of Two-Dimensional Coordination Polymers and Linear Zig-Zag Chains of Mercury Metal Ions","Crystal Growth & Design","2015","16","1","92","","10.1021/acs.cgd.5b00989","","","0.71073","MoKα","","0.0509","0.0347","","","0.0662","0.0702","","","","","","0.95","","","","has coordinates","231299","2020-10-21","18:00:00",""
"4516465","19.1276","0.0008","20.9557","0.0009","35.3447","0.0016","90","","90","","90","","14167.3","1.1","100","2","100","","","","","","","","","3","I m m m","-I 2 2","71","","","","- N20 O172 U32.71 -","- N20 O172 U32.705 -","- N40 O344 U65.41 -","2","0.125","","Blanchard, Florent; Ellart, Marine; Rivenet, Murielle; Vigier, Nicolas; Hablot, Isabelle; Morel, Bertrand; Grandjean, Stéphane; Abraham, Francis","Role of Ammonium Ions in the Formation of Ammonium Uranyl Peroxides and Uranyl Peroxo-oxalates","Crystal Growth & Design","2015","16","1","200","","10.1021/acs.cgd.5b01090","","x-ray","0.71073","MoKα","","0.1275","0.0782","","","0.2145","0.2468","","","","","","1.037","","","","has coordinates","231332","2020-10-21","18:00:00",""
"4516466","26.2761","0.0008","20.471","0.0006","29.2307","0.0009","90","","101.039","0.002","90","","15432.2","0.8","100","2","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- N42 O222 U44.53 -","- N42 O222 U44.534 -","- N84 O444 U89.068 -","2","0.5","","Blanchard, Florent; Ellart, Marine; Rivenet, Murielle; Vigier, Nicolas; Hablot, Isabelle; Morel, Bertrand; Grandjean, Stéphane; Abraham, Francis","Role of Ammonium Ions in the Formation of Ammonium Uranyl Peroxides and Uranyl Peroxo-oxalates","Crystal Growth & Design","2015","16","1","200","","10.1021/acs.cgd.5b01090","","x-ray","0.71073","MoKα","","0.1027","0.0646","","","0.1805","0.2346","","","","","","1.146","","","","has coordinates","231332","2020-10-21","18:00:00",""
"4516467","27.9494","0.0011","19.9702","0.0008","10.7251","0.0004","90","","98.271","0.001","90","","5924","0.4","100","","100","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C10 N10 O48 U5 -","- C10 N10 O48 U5 -","- C40 N40 O192 U20 -","4","0.5","","Blanchard, Florent; Ellart, Marine; Rivenet, Murielle; Vigier, Nicolas; Hablot, Isabelle; Morel, Bertrand; Grandjean, Stéphane; Abraham, Francis","Role of Ammonium Ions in the Formation of Ammonium Uranyl Peroxides and Uranyl Peroxo-oxalates","Crystal Growth & Design","2015","16","1","200","","10.1021/acs.cgd.5b01090","","x-ray","0.71073","MoKα","","0.0286","0.0242","","","0.0687","0.0709","","","","","","1.074","","","","has coordinates","231332","2020-10-21","18:00:00",""
"4516468","32.8783","0.0006","46.6442","0.0009","54.0834","0.001","90","","90","","90","","82941","3","100","","100","","","","","","","","","4","F m m m","-F 2 2","69","","","","- C60 N152 O360 U60 -","- C60 N152 O360 U60 -","- C240 N608 O1440 U240 -","4","0.125","","Blanchard, Florent; Ellart, Marine; Rivenet, Murielle; Vigier, Nicolas; Hablot, Isabelle; Morel, Bertrand; Grandjean, Stéphane; Abraham, Francis","Role of Ammonium Ions in the Formation of Ammonium Uranyl Peroxides and Uranyl Peroxo-oxalates","Crystal Growth & Design","2015","16","1","200","","10.1021/acs.cgd.5b01090","","x-ray","0.71073","MoKα","","0.1526","0.0727","","","0.1967","0.2481","","","","","","1.078","","","","has coordinates","231332","2020-10-21","18:00:00",""
"4516469","30.761","0.004","22.674","0.003","20.944","0.003","90","","122.231","0.003","90","","12357","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 N11.27 O41.9 U5 -","- C10 N11.272 O41.896 U5 -","- C80 N90.176 O335.168 U40 -","8","1","","Blanchard, Florent; Ellart, Marine; Rivenet, Murielle; Vigier, Nicolas; Hablot, Isabelle; Morel, Bertrand; Grandjean, Stéphane; Abraham, Francis","Role of Ammonium Ions in the Formation of Ammonium Uranyl Peroxides and Uranyl Peroxo-oxalates","Crystal Growth & Design","2015","16","1","200","","10.1021/acs.cgd.5b01090","","x-ray","0.71073","MoKα","","0.0558","0.0364","","","0.1122","0.1255","","","","","","1.148","","","","has coordinates","231332","2020-10-21","18:00:00",""
"4516470","20.5052","0.0013","20.5052","0.0013","24.701","0.0016","90","","90","","90","","10385.9","1.1","100","2","100","2","","","","","","","","3","I -4","I -4","82","","","","- N26 O148 U28.25 -","- N26 O148 U28.248 -","- N52 O296 U56.496 -","2","0.25","","Blanchard, Florent; Ellart, Marine; Rivenet, Murielle; Vigier, Nicolas; Hablot, Isabelle; Morel, Bertrand; Grandjean, Stéphane; Abraham, Francis","Role of Ammonium Ions in the Formation of Ammonium Uranyl Peroxides and Uranyl Peroxo-oxalates","Crystal Growth & Design","2015","16","1","200","","10.1021/acs.cgd.5b01090","","x-ray","0.71073","MoKα","","0.057","0.0457","","","0.1181","0.1254","","","","","","1.065","","","","has coordinates","231332","2020-10-21","18:00:00",""
"4516471","8.0403","0.0011","13.565","0.002","14.163","0.002","109.825","0.007","105.333","0.007","102.263","0.007","1321.5","0.3","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C8 N6 O24 U2 -","- C8 N6 O24 U2 -","- C16 N12 O48 U4 -","2","1","","Blanchard, Florent; Ellart, Marine; Rivenet, Murielle; Vigier, Nicolas; Hablot, Isabelle; Morel, Bertrand; Grandjean, Stéphane; Abraham, Francis","Role of Ammonium Ions in the Formation of Ammonium Uranyl Peroxides and Uranyl Peroxo-oxalates","Crystal Growth & Design","2015","16","1","200","","10.1021/acs.cgd.5b01090","","x-ray","0.71073","MoKα","","0.0439","0.0279","","","0.0648","0.0707","","","","","","1.039","","","","has coordinates","231332","2020-10-21","18:00:00",""
"4516472","13.9505","0.0008","17.0655","0.0009","19.0417","0.0011","90","","90","","90","","4533.3","0.4","296","2","296.15","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C8 N9 O37 U5 -","- C8 N9 O37 U5 -","- C32 N36 O148 U20 -","4","0.5","","Blanchard, Florent; Ellart, Marine; Rivenet, Murielle; Vigier, Nicolas; Hablot, Isabelle; Morel, Bertrand; Grandjean, Stéphane; Abraham, Francis","Role of Ammonium Ions in the Formation of Ammonium Uranyl Peroxides and Uranyl Peroxo-oxalates","Crystal Growth & Design","2015","16","1","200","","10.1021/acs.cgd.5b01090","","x-ray","0.71073","MoKα","","0.1051","0.0653","","","0.1458","0.1603","","","","","","1.149","","","","has coordinates","231332","2020-10-21","18:00:00",""
"4516522","10.6022","0.0003","9.5918","0.0003","19.3072","0.0005","90","","93.101","0.001","90","","1960.55","0.1","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Coronene F4TCNQ","","","- C60 H24 F4 N4 -","- C60 H24 F4 N4 -","- C120 H48 F8 N8 -","2","0.5","","Kataeva, Olga; Khrizanforov, Mikhail; Budnikova, Yulia; Islamov, Daut; Burganov, Timur; Vandyukov, Alexander; Lyssenko, Konstantin; Mahns, Benjamin; Nohr, Markus; Hampel, Silke; Knupfer, Martin","Crystal Growth, Dynamic and Charge Transfer Properties of New Coronene Charge Transfer Complexes","Crystal Growth & Design","2015","16","1","331","","10.1021/acs.cgd.5b01301","","x-ray","1.54178","CuKα","","0.0648","0.0616","","","0.1705","0.1726","","","","","","1.059","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516523","21.6173","0.0006","6.9678","0.0002","18.3594","0.0005","90","","104.494","0.003","90","","2677.37","0.13","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Coronene F4TCNQ acetonitrile","","","- C38 H15 F4 N5 -","- C38 H15 F4 N5 -","- C152 H60 F16 N20 -","4","0.5","","Kataeva, Olga; Khrizanforov, Mikhail; Budnikova, Yulia; Islamov, Daut; Burganov, Timur; Vandyukov, Alexander; Lyssenko, Konstantin; Mahns, Benjamin; Nohr, Markus; Hampel, Silke; Knupfer, Martin","Crystal Growth, Dynamic and Charge Transfer Properties of New Coronene Charge Transfer Complexes","Crystal Growth & Design","2015","16","1","331","","10.1021/acs.cgd.5b01301","","x-ray","1.54178","CuKα","","0.0441","0.0341","","","0.1014","0.1138","","","","","","0.898","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""
"4516524","10.57","0.0003","9.5634","0.0003","19.3061","0.0006","90","","93.102","0.001","90","","1948.7","0.1","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Coronene F4TCNQ","","","- C60 H24 F4 N4 -","- C60 H24 F4 N4 -","- C120 H48 F8 N8 -","2","0.5","","Kataeva, Olga; Khrizanforov, Mikhail; Budnikova, Yulia; Islamov, Daut; Burganov, Timur; Vandyukov, Alexander; Lyssenko, Konstantin; Mahns, Benjamin; Nohr, Markus; Hampel, Silke; Knupfer, Martin","Crystal Growth, Dynamic and Charge Transfer Properties of New Coronene Charge Transfer Complexes","Crystal Growth & Design","2015","16","1","331","","10.1021/acs.cgd.5b01301","","x-ray","1.54178","CuKα","","0.0545","0.0522","","","0.1399","0.1416","","","","","","1.028","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516525","10.5429","0.0005","9.536","0.0004","19.3078","0.0009","90","","93.082","0.001","90","","1938.34","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Coronene F4TCNQ","","","- C60 H24 F4 N4 -","- C60 H24 F4 N4 -","- C120 H48 F8 N8 -","2","0.5","","Kataeva, Olga; Khrizanforov, Mikhail; Budnikova, Yulia; Islamov, Daut; Burganov, Timur; Vandyukov, Alexander; Lyssenko, Konstantin; Mahns, Benjamin; Nohr, Markus; Hampel, Silke; Knupfer, Martin","Crystal Growth, Dynamic and Charge Transfer Properties of New Coronene Charge Transfer Complexes","Crystal Growth & Design","2015","16","1","331","","10.1021/acs.cgd.5b01301","","x-ray","1.54178","CuKα","","0.0475","0.0463","","","0.1245","0.1255","","","","","","1.049","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516526","10.6384","0.0002","9.6194","0.0002","19.3119","0.0004","90","","93.066","0.001","90","","1973.45","0.07","220","2","220","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Coronene F4TCNQ","","","- C60 H24 F4 N4 -","- C60 H24 F4 N4 -","- C120 H48 F8 N8 -","2","0.5","","Kataeva, Olga; Khrizanforov, Mikhail; Budnikova, Yulia; Islamov, Daut; Burganov, Timur; Vandyukov, Alexander; Lyssenko, Konstantin; Mahns, Benjamin; Nohr, Markus; Hampel, Silke; Knupfer, Martin","Crystal Growth, Dynamic and Charge Transfer Properties of New Coronene Charge Transfer Complexes","Crystal Growth & Design","2015","16","1","331","","10.1021/acs.cgd.5b01301","","x-ray","1.54178","CuKα","","0.0752","0.0706","","","0.199","0.2025","","","","","","1.09","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516527","10.7153","0.0004","9.6687","0.0004","19.3435","0.0008","90","","92.856","0.002","90","","2001.56","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Coronene F4TCNQ","","","- C60 H24 F4 N4 -","- C60 H24 F4 N4 -","- C120 H48 F8 N8 -","2","0.5","","Kataeva, Olga; Khrizanforov, Mikhail; Budnikova, Yulia; Islamov, Daut; Burganov, Timur; Vandyukov, Alexander; Lyssenko, Konstantin; Mahns, Benjamin; Nohr, Markus; Hampel, Silke; Knupfer, Martin","Crystal Growth, Dynamic and Charge Transfer Properties of New Coronene Charge Transfer Complexes","Crystal Growth & Design","2015","16","1","331","","10.1021/acs.cgd.5b01301","","x-ray","1.54178","CuKα","","0.0967","0.0906","","","0.2692","0.2767","","","","","","1.105","","","","has coordinates","231364","2020-10-21","18:00:00",""
"4516528","10.6777","0.0003","9.6459","0.0003","19.3207","0.0006","90","","92.997","0.001","90","","1987.23","0.1","260","2","260","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Coronene F4TCNQ","","","- C60 H24 F4 N4 -","- C60 H24 F4 N4 -","- C120 H48 F8 N8 -","2","0.5","","Kataeva, Olga; Khrizanforov, Mikhail; Budnikova, Yulia; Islamov, Daut; Burganov, Timur; Vandyukov, Alexander; Lyssenko, Konstantin; Mahns, Benjamin; Nohr, Markus; Hampel, Silke; Knupfer, Martin","Crystal Growth, Dynamic and Charge Transfer Properties of New Coronene Charge Transfer Complexes","Crystal Growth & Design","2015","16","1","331","","10.1021/acs.cgd.5b01301","","x-ray","1.54178","CuKα","","0.0861","0.08","","","0.2258","0.2307","","","","","","1.108","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516529","21.7569","0.0013","7.0651","0.0004","18.5431","0.001","90","","103.924","0.004","90","","2766.6","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Coronene F4TCNQ acetonitrile","","","- C38 H15 F4 N5 -","- C38 H15 F4 N5 -","- C152 H60 F16 N20 -","4","0.5","","Kataeva, Olga; Khrizanforov, Mikhail; Budnikova, Yulia; Islamov, Daut; Burganov, Timur; Vandyukov, Alexander; Lyssenko, Konstantin; Mahns, Benjamin; Nohr, Markus; Hampel, Silke; Knupfer, Martin","Crystal Growth, Dynamic and Charge Transfer Properties of New Coronene Charge Transfer Complexes","Crystal Growth & Design","2015","16","1","331","","10.1021/acs.cgd.5b01301","","x-ray","1.54178","CuKα","","0.0517","0.0369","","","0.1127","0.1296","","","","","","0.934","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""
"4516530","10.0086","0.0004","4.6651","0.0002","15.5437","0.0006","90","","106.576","0.003","90","","695.59","0.05","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","Coronene","","","- C24 H12 -","- C24 H12 -","- C48 H24 -","2","0.5","","Kataeva, Olga; Khrizanforov, Mikhail; Budnikova, Yulia; Islamov, Daut; Burganov, Timur; Vandyukov, Alexander; Lyssenko, Konstantin; Mahns, Benjamin; Nohr, Markus; Hampel, Silke; Knupfer, Martin","Crystal Growth, Dynamic and Charge Transfer Properties of New Coronene Charge Transfer Complexes","Crystal Growth & Design","2015","16","1","331","","10.1021/acs.cgd.5b01301","","x-ray","1.54178","CuKα","","0.0573","0.0454","","","0.1272","0.134","","","","","","1.131","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""
"4516566","11.4286","0.0008","12.8633","0.001","17.841","0.0013","110.488","0.004","104.772","0.004","91.007","0.004","2359.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H34 Cd N4 O7 -","- C59 H34 Cd N4 O7 -","- C118 H68 Cd2 N8 O14 -","2","1","","Haldar, Ritesh; Prasad, Komal; Samanta, Pralok Kumar; Pati, Swapan; Maji, Tapas Kumar","Luminescent Metal‒Organic Complexes of Pyrene or Anthracene Chromophores: Energy Transfer Assisted Amplified Exciplex Emission and Al3+ Sensing","Crystal Growth & Design","2015","16","1","82","","10.1021/acs.cgd.5b01448","","","0.71073","MoKα","","0.0964","0.0504","","","0.116","0.1419","","","","","","0.884","","","","has coordinates","231382","2020-10-21","18:00:00",""
"4516567","22.88","0.0005","17.8769","0.0004","17.9672","0.0004","90","","113.907","0.001","90","","6718.5","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H52 Cd2 N4 O9 -","- C84 H52 Cd2 N4 O9 -","- C336 H208 Cd8 N16 O36 -","4","0.5","","Haldar, Ritesh; Prasad, Komal; Samanta, Pralok Kumar; Pati, Swapan; Maji, Tapas Kumar","Luminescent Metal‒Organic Complexes of Pyrene or Anthracene Chromophores: Energy Transfer Assisted Amplified Exciplex Emission and Al3+ Sensing","Crystal Growth & Design","2015","16","1","82","","10.1021/acs.cgd.5b01448","","","0.71073","MoKα","","0.0825","0.0419","","","0.093","0.1101","","","","","","1.006","","","","has coordinates","231382","2020-10-21","18:00:00",""
"4516579","11.003","0.012","12.486","0.014","15.925","0.017","100.091","0.012","106.028","0.013","95.762","0.013","2045","4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H12 Gd2 K2 N0 O28 -","- C32 H12 Gd2 K2 O28 -","- C64 H24 Gd4 K4 O56 -","2","1","","Zhang, Huijie; Fan, Ruiqing; Chen, Wei; Fan, Jizhuang; Dong, Yuwei; Song, Yang; Du, Xi; Wang, Ping; Yang, Yulin","3D Lanthanide Metal‒Organic Frameworks Based on Mono-, Tri-, and Heterometallic Tetranuclear Clusters as Highly Selective and Sensitive Luminescent Sensor for Fe3+ and Cu2+ Ions","Crystal Growth & Design","2016","16","9","5429","","10.1021/acs.cgd.6b00903","","","0.71073","MoKα","","0.0847","0.0581","","","0.1593","0.1981","","","","","","1.101","","","","has coordinates","231384","2020-10-21","18:00:00",""
"4516580","11.072","0.003","12.676","0.004","16.022","0.005","100.291","0.01","105.884","0.009","95.927","0.009","2100.3","1.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H12 Eu2 K2 O29 -","- C32 H12 Eu2 K2 O29 -","- C64 H24 Eu4 K4 O58 -","2","1","","Zhang, Huijie; Fan, Ruiqing; Chen, Wei; Fan, Jizhuang; Dong, Yuwei; Song, Yang; Du, Xi; Wang, Ping; Yang, Yulin","3D Lanthanide Metal‒Organic Frameworks Based on Mono-, Tri-, and Heterometallic Tetranuclear Clusters as Highly Selective and Sensitive Luminescent Sensor for Fe3+ and Cu2+ Ions","Crystal Growth & Design","2016","16","9","5429","","10.1021/acs.cgd.6b00903","","","0.71073","MoKα","","0.1165","0.0686","","","0.1645","0.1936","","","","","","0.993","","","","has coordinates","231385","2020-10-21","18:00:00",""
"4516581","24.286","0.002","10.3078","0.0012","13.5214","0.0017","90","","101.008","0.004","90","","3322.6","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 Eu N0 O12 -","- C16 H13 Eu O12 -","- C128 H104 Eu8 O96 -","8","1","","Zhang, Huijie; Fan, Ruiqing; Chen, Wei; Fan, Jizhuang; Dong, Yuwei; Song, Yang; Du, Xi; Wang, Ping; Yang, Yulin","3D Lanthanide Metal‒Organic Frameworks Based on Mono-, Tri-, and Heterometallic Tetranuclear Clusters as Highly Selective and Sensitive Luminescent Sensor for Fe3+ and Cu2+ Ions","Crystal Growth & Design","2016","16","9","5429","","10.1021/acs.cgd.6b00903","","","0.71073","MoKα","","0.0679","0.0373","","","0.0673","0.0762","","","","","","0.975","","","","has coordinates","231386","2020-10-21","18:00:00",""
"4516582","23.0599","0.0017","11.005","0.0008","20.9497","0.0016","90","","106.369","0.002","90","","5101","0.7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H6.5 Eu1.5 O12 -","- C16.5 H6.5 Eu1.5 O12 -","- C132 H52 Eu12 O96 -","8","1","","Zhang, Huijie; Fan, Ruiqing; Chen, Wei; Fan, Jizhuang; Dong, Yuwei; Song, Yang; Du, Xi; Wang, Ping; Yang, Yulin","3D Lanthanide Metal‒Organic Frameworks Based on Mono-, Tri-, and Heterometallic Tetranuclear Clusters as Highly Selective and Sensitive Luminescent Sensor for Fe3+ and Cu2+ Ions","Crystal Growth & Design","2016","16","9","5429","","10.1021/acs.cgd.6b00903","","","0.71073","MoKα","","0.0811","0.0498","","","0.1196","0.1287","","","","","","1.036","","","","has coordinates,has disorder","231387","2020-10-21","18:00:00",""
"4516583","11.0252","0.0009","12.6045","0.001","16.008","0.0013","100.237","0.001","106.07","0.001","95.725","0.001","2077.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H12 K2 O29 Tb2 -","- C32 H12 K2 O29 Tb2 -","- C64 H24 K4 O58 Tb4 -","2","1","","Zhang, Huijie; Fan, Ruiqing; Chen, Wei; Fan, Jizhuang; Dong, Yuwei; Song, Yang; Du, Xi; Wang, Ping; Yang, Yulin","3D Lanthanide Metal‒Organic Frameworks Based on Mono-, Tri-, and Heterometallic Tetranuclear Clusters as Highly Selective and Sensitive Luminescent Sensor for Fe3+ and Cu2+ Ions","Crystal Growth & Design","2016","16","9","5429","","10.1021/acs.cgd.6b00903","","","0.71073","MoKα","","0.0339","0.0281","","","0.0745","0.0778","","","","","","1.029","","","","has coordinates","231388","2020-10-21","18:00:00",""
"5000040","6.991","","6.996","","6.238","","90","","90","","90","","305.1","","","","","","","","","","","","Madagascar","3","A m m a","-A 2a 2a","63","","Calcium sulfate","Anhydrite","- Ca O4 S -","- Ca O4 S -","- Ca4 O16 S4 -","4","0.25","","Cheng, G C H; Zussman, J","The crystal structure of anhydrite (Ca S O4)","Acta Crystallographica (1,1948-23,1967)","1963","16","","767","769","10.1107/S0365110X63001997","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","301844","2025-08-21","10:11:29",""
"5000120","8.2065","0.0012","8.2065","0.0012","8.2065","0.0012","90","","90","","90","","552.7","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Magnesium dialuminium oxide","Spinel","- Al2 Mg O4 -","- Al2 Mg O4 -","- Al16 Mg8 O32 -","8","0.0416667","","Yamanaka, T","Thermal movement of atoms in the spinel structure.","Kobutsugaku Zasshi (= Journal of the Mineralogical Society of Japan)","1983","16","","221","231","","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","176451","2020-10-21","18:00:00",""
"5000214","4.3084","0.0002","4.3084","0.0002","11.274","0.006","90","","90","","120","","181.2","","","","","","","","","","","","","1","R -3 m :H","-R 3 2""","166","Antimony","Antimony","Antimony","- Sb -","- Sb -","- Sb6 -","6","0.166667","","Barrett, C S; Cucka, P; Haefner, K","The Crystal Structure of Antimony at 4.2, 78 and 298 K","Acta Crystallographica (1,1948-23,1967)","1963","16","","451","453","10.1107/S0365110X63001262","","","","","","0.0225","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"5000401","11.168","0.002","18.043","0.004","17.746","0.004","90","","108.03","0.03","90","","3400.5","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H60 O P2 Ru Si2 -","- C27 H60 O P2 Ru Si2 -","- C108 H240 O4 P8 Ru4 Si8 -","4","1","","Huang, Dejian; Heyn, Richard H.; Bollinger, John C.; Caulton, Kenneth G.","Oxidative Addition of a Si‒C(sp) Bond to Ruthenium: Synthesis and Reactivity of Ru(SiMe~3~)(C⋮ CSiMe~3~)(CO)(P^t^Bu~2~Me)~2~}","Organometallics","1997","16","3","292","293","10.1021/om9609776","","","0.71073","MoKα","","0.1004","0.0462","","0.0916","0.0737","","","","0.956","1.002","1.002","","","","","has coordinates","175475","2020-10-21","18:00:00",""
"7155930","10.8476","0.0003","17.322","0.0004","37.2345","0.0009","90","","90","","90","","6996.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H41 N5 O8 -","- C38 H41 N5 O8 -","- C304 H328 N40 O64 -","8","2","","Kicsák, Máté; Mándi, Attila; Varga, Szabolcs; Herczeg, Mihály; Batta, Gyula; Bényei, Attila; Borbás, Anikó; Herczegh, Pál","Tricyclanos: conformationally constrained nucleoside analogues with a new heterotricycle obtained from a d-ribofuranose unit.","Organic & biomolecular chemistry","2018","16","3","393","401","10.1039/c7ob02296d","","","1.54184","CuKα","","0.0862","0.0669","","","","0.1861","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7155949","11.5591","0.0009","13.2129","0.0011","12.0726","0.001","90","","90.884","0.001","90","","1843.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10.25 Cl5.88 D0.88 N O3 -","- C15 H10.248 Cl5.876 D0.876 N O3 -","- C60 H40.992 Cl23.504 D3.504 N4 O12 -","4","1","","Rajale, Trideep; Sharma, Shikha; Unruh, Daniel K.; Stroud, Daniel A.; Birney, David M.","A pseudopericyclic [3,5]-sigmatropic rearrangement of a coumarin trichloroacetimidate derivative.","Organic & biomolecular chemistry","2018","16","6","874","879","10.1039/c7ob02335a","","","0.71073","MoKα","","0.0334","0.0279","","","0.0699","0.0731","","","","","","1.034","","","","has coordinates,has disorder","230721","2020-10-21","18:00:00",""
"7155991","6.32903","0.00009","8.54815","0.00013","23.7167","0.0004","90","","90","","90","","1283.11","0.03","99.97","0.12","99.97","0.12","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O4 -","- C14 H17 N O4 -","- C56 H68 N4 O16 -","4","1","","Osorio-Nieto, Urbano; Vázquez-Amaya, Laura Y; Höpfl, Herbert; Quintero, Leticia; Sartillo-Piscil, Fernando","The direct and highly diastereoselective synthesis of 3,4-epoxy-2-piperidones. Application to the total synthesis and absolute configurational assignment of 3α,4α-epoxy-5β-pipermethystine.","Organic & biomolecular chemistry","2017","16","1","77","88","10.1039/c7ob02700a","","x-ray","1.54184","CuKα","","0.0306","0.0297","","","0.0735","0.0743","","","","","","1.025","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7155992","9.66134","0.00017","5.45597","0.0001","14.8724","0.0002","90","","93.7727","0.0016","90","","782.25","0.02","291.84","0.1","291.84","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C34 H38 N2 O10 -","2","1","","Osorio-Nieto, Urbano; Vázquez-Amaya, Laura Y; Höpfl, Herbert; Quintero, Leticia; Sartillo-Piscil, Fernando","The direct and highly diastereoselective synthesis of 3,4-epoxy-2-piperidones. Application to the total synthesis and absolute configurational assignment of 3α,4α-epoxy-5β-pipermethystine.","Organic & biomolecular chemistry","2017","16","1","77","88","10.1039/c7ob02700a","","x-ray","1.54184","CuKα","","0.0336","0.0332","","","0.0899","0.0904","","","","","","1.049","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7155993","6.38939","0.00011","7.59037","0.00013","26.8562","0.0005","90","","90","","90","","1302.47","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O4 -","- C14 H17 N O4 -","- C56 H68 N4 O16 -","4","1","","Osorio-Nieto, Urbano; Vázquez-Amaya, Laura Y; Höpfl, Herbert; Quintero, Leticia; Sartillo-Piscil, Fernando","The direct and highly diastereoselective synthesis of 3,4-epoxy-2-piperidones. Application to the total synthesis and absolute configurational assignment of 3α,4α-epoxy-5β-pipermethystine.","Organic & biomolecular chemistry","2017","16","1","77","88","10.1039/c7ob02700a","","x-ray","1.54184","CuKα","","0.0308","0.0304","","","0.078","0.0785","","","","","","1.07","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7155995","9.7379","0.0019","13.134","0.003","14.204","0.003","74.4","0.03","79.76","0.03","87.25","0.03","1721.9","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19.5 N2.5 O3 -","- C19 H19.5 N2.5 O3 -","- C76 H78 N10 O12 -","4","2","","Bellucci, M. C.; Frigerio, M.; Castellano, C.; Meneghetti, F.; Sacchetti, A.; Volonterio, A.","Design, synthesis, and conformational analysis of 3-cyclo-butylcarbamoyl hydantoins as novel hydrogen bond driven universal peptidomimetics.","Organic & biomolecular chemistry","2018","16","4","521","525","10.1039/c7ob02680c","","","0.71073","MoKα","","0.1371","0.0837","","","0.2141","0.2487","","","","","","1.009","","","","has coordinates","230704","2020-10-21","18:00:00",""
"7155996","7.7842","0.0016","19.387","0.004","8.315","0.0017","90","","106.96","0.03","90","","1200.3","0.5","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C24 H34 N4 O5 -","- C24 H34 N4 O5 -","- C48 H68 N8 O10 -","2","1","","Bellucci, M. C.; Frigerio, M.; Castellano, C.; Meneghetti, F.; Sacchetti, A.; Volonterio, A.","Design, synthesis, and conformational analysis of 3-cyclo-butylcarbamoyl hydantoins as novel hydrogen bond driven universal peptidomimetics.","Organic & biomolecular chemistry","2018","16","4","521","525","10.1039/c7ob02680c","","","0.71073","MoKα","","0.1224","0.089","","","0.1501","0.1659","","","","","","1.245","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7155997","24.68","0.0009","24.68","0.0009","101.978","0.005","90","","90","","120","","53793","4","100.01","0.1","100.01","0.1","","","","","","","","3","R -3 :H","-R 3","148","FRP-6","","","- C300 H324 N12 -","- C300 H324 N12 -","- C1800 H1944 N72 -","6","0.333333","","Wang, Xinchang; Peng, Pixian; Xuan, Wei; Wang, Yu; Zhuang, Yongbin; Tian, Zhongqun; Cao, Xiaoyu","Narcissistic chiral self-sorting of molecular face-rotating polyhedra.","Organic & biomolecular chemistry","2017","16","1","34","37","10.1039/c7ob02727c","","","1.54184","CuKα","","0.1743","0.126","","","0.3615","0.4099","","","","","","1.231","","","","has coordinates","230640","2020-10-21","18:00:00",""
"7155998","27.8827","0.0006","27.8827","0.0006","25.2681","0.0005","90","","90","","120","","17012.7","0.6","150","0.1","150","0.1","","","","","","","","3","P -3","-P 3","147","FRP-7","","","- C252 H324 N12 -","- C252 H324 N12 -","- C504 H648 N24 -","2","0.333333","","Wang, Xinchang; Peng, Pixian; Xuan, Wei; Wang, Yu; Zhuang, Yongbin; Tian, Zhongqun; Cao, Xiaoyu","Narcissistic chiral self-sorting of molecular face-rotating polyhedra.","Organic & biomolecular chemistry","2017","16","1","34","37","10.1039/c7ob02727c","","x-ray","1.54184","CuKα","","0.1242","0.0971","","","0.2951","0.3293","","","","","","1.108","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156001","7.966","0.002","9.708","0.003","13.669","0.004","90","","98.158","0.005","90","","1046.4","0.5","203","","203","","","","","","","","","5","P 1 c 1","P -2yc","7","","2-((3-(4-nitrophenyl)-1-tosyl-1H-pyrazol-4-yl)methyl)benzonitrile","","- C24 H18 N4 O4 S -","- C24 H18 N4 O4 S -","- C48 H36 N8 O8 S2 -","2","1","","Yang, Ying; Hu, Zi-Lin; Li, Ren-Hao; Chen, Yi-Hui; Zhan, Zhuang-Ping","Pyrazole synthesis via a cascade Sonogashira coupling/cyclization of N-propargyl sulfonylhydrazones.","Organic & biomolecular chemistry","2018","16","2","197","201","10.1039/c7ob02576a","","","0.71073","MoKα","","0.0468","0.0423","","","0.0966","0.099","","","","","","1.042","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156002","9.337","0.003","10.612","0.004","13.512","0.005","71.627","0.004","81.23","0.005","72.359","0.005","1208.4","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 N5 O7 -","- C25 H21 N5 O7 -","- C50 H42 N10 O14 -","2","1","","Mondal, Animesh; Naskar, Barnali; Goswami, Sanchita; Prodhan, Chandraday; Chaudhuri, Keya; Mukhopadhyay, Chhanda","I<sub>2</sub> catalyzed access of spiro[indoline-3,4'-pyridine] appended amine dyad: new ON-OFF chemosensors for Cu<sup>2+</sup> and imaging in living cells.","Organic & biomolecular chemistry","2018","16","2","302","315","10.1039/c7ob02651j","","","0.71073","MoKα","","0.0874","0.0514","","","0.1515","0.201","","","","","","0.718","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156003","7.2037","0.0011","10.9197","0.0017","23.762","0.004","90","","90","","90","","1869.2","0.5","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 O4 Si -","- C17 H28 O4 Si -","- C68 H112 O16 Si4 -","4","1","","Ojo, O. Stephen; Nardone, Brunello; Musolino, Stefania F.; Neal, Andrew R.; Wilson, Liam; Lebl, Tomas; Slawin, Alexandra M. Z.; Cordes, David B.; Taylor, James E.; Naismith, James H.; Smith, Andrew D.; Westwood, Nicholas J.","Synthesis of the natural product descurainolide and cyclic peptides from lignin-derived aromatics.","Organic & biomolecular chemistry","2018","16","2","266","273","10.1039/c7ob02697h","","","1.54187","CuKα","","0.0542","0.0533","","","0.1337","0.1349","","","","","","1.087","","","","has coordinates,has disorder","301861","2025-08-22","11:12:37",""
"7156004","14.9553","0.0002","8.63515","0.00011","19.7885","0.0003","90","","111.869","0.0019","90","","2371.61","0.06","125","","125","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H16 O5 -","- C13 H16 O5 -","- C104 H128 O40 -","8","4","","Ojo, O. Stephen; Nardone, Brunello; Musolino, Stefania F.; Neal, Andrew R.; Wilson, Liam; Lebl, Tomas; Slawin, Alexandra M. Z.; Cordes, David B.; Taylor, James E.; Naismith, James H.; Smith, Andrew D.; Westwood, Nicholas J.","Synthesis of the natural product descurainolide and cyclic peptides from lignin-derived aromatics.","Organic & biomolecular chemistry","2018","16","2","266","273","10.1039/c7ob02697h","","","1.54187","CuKα","","0.0468","0.0456","","","0.1279","0.1287","","","","","","1.022","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156005","12.308","0.007","6.22","0.003","13.145","0.007","90","","108.591","0.011","90","","953.8","0.9","173","","173","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H24 O7 -","- C18 H24 O7 -","- C36 H48 O14 -","2","1","","Ojo, O. Stephen; Nardone, Brunello; Musolino, Stefania F.; Neal, Andrew R.; Wilson, Liam; Lebl, Tomas; Slawin, Alexandra M. Z.; Cordes, David B.; Taylor, James E.; Naismith, James H.; Smith, Andrew D.; Westwood, Nicholas J.","Synthesis of the natural product descurainolide and cyclic peptides from lignin-derived aromatics.","Organic & biomolecular chemistry","2018","16","2","266","273","10.1039/c7ob02697h","","","1.54187","CuKα","","0.0352","0.0332","","","0.0869","0.0881","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156006","7.4671","0.0013","32.535","0.005","5.2751","0.0009","90","","108.583","0.004","90","","1214.7","0.4","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 O5 -","- C13 H16 O5 -","- C52 H64 O20 -","4","1","","Ojo, O. Stephen; Nardone, Brunello; Musolino, Stefania F.; Neal, Andrew R.; Wilson, Liam; Lebl, Tomas; Slawin, Alexandra M. Z.; Cordes, David B.; Taylor, James E.; Naismith, James H.; Smith, Andrew D.; Westwood, Nicholas J.","Synthesis of the natural product descurainolide and cyclic peptides from lignin-derived aromatics.","Organic & biomolecular chemistry","2018","16","2","266","273","10.1039/c7ob02697h","","","1.54187","CuKα","","0.0508","0.0497","","","0.1135","0.1144","","","","","","1.15","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156007","10.1923","0.0018","18.865","0.003","31","0.006","90","","91.926","0.006","90","","5957.2","1.8","173","","173","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C22 H44 N O7.5 S2.5 Si -","- C22 H44 N O7.5 S2.5 Si -","- C176 H352 N8 O60 S20 Si8 -","8","1","","Ojo, O. Stephen; Nardone, Brunello; Musolino, Stefania F.; Neal, Andrew R.; Wilson, Liam; Lebl, Tomas; Slawin, Alexandra M. Z.; Cordes, David B.; Taylor, James E.; Naismith, James H.; Smith, Andrew D.; Westwood, Nicholas J.","Synthesis of the natural product descurainolide and cyclic peptides from lignin-derived aromatics.","Organic & biomolecular chemistry","2018","16","2","266","273","10.1039/c7ob02697h","","","0.71075","MoKα","","0.1555","0.1069","","","0.279","0.3146","","","","","","1.054","","","","has coordinates,has disorder","230715","2020-10-21","18:00:00",""
"7156008","14.189","0.014","4.122","0.004","19.078","0.019","90","","96.17","0.012","90","","1109.4","1.9","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H8 I N S -","- C12 H8 I N S -","- C48 H32 I4 N4 S4 -","4","1","","Sonawane, Amol D.; Garud, Dinesh R.; Udagawa, Taro; Koketsu, Mamoru","Synthesis of thieno[2,3-b]quinoline and selenopheno[2,3-b]quinoline derivatives via iodocyclization reaction and a DFT mechanistic study.","Organic & biomolecular chemistry","2018","16","2","245","255","10.1039/c7ob02523h","","","0.7107","MoKα","","0.0607","0.047","","","0.1189","0.1346","","","","","","0.809","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156009","6.6297","0.0015","15.443","0.004","20.287","0.005","90","","90","","90","","2077","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 Br N O2 -","- C24 H20 Br N O2 -","- C96 H80 Br4 N4 O8 -","4","1","","Guo, Tao; Yuan, Bin-Hua; Liu, Wen-Jie","Highly efficient asymmetric construction of novel indolines and tetrahydroquinoline derivatives via aza-Barbier/C-N coupling reaction.","Organic & biomolecular chemistry","2017","16","1","57","61","10.1039/c7ob02891a","","","0.71073","MoKα","","0.0516","0.0308","","","0.0653","0.0721","","","","","","1.009","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156010","7.297","0.002","10.159","0.003","14.198","0.004","90","","97.465","0.004","90","","1043.6","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H22 Br N O2 -","- C25 H22 Br N O2 -","- C50 H44 Br2 N2 O4 -","2","1","","Guo, Tao; Yuan, Bin-Hua; Liu, Wen-Jie","Highly efficient asymmetric construction of novel indolines and tetrahydroquinoline derivatives via aza-Barbier/C-N coupling reaction.","Organic & biomolecular chemistry","2017","16","1","57","61","10.1039/c7ob02891a","","","0.71073","MoKα","","0.0862","0.0463","","","0.0982","0.1229","","","","","","1.005","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156011","18.851","0.005","6.6457","0.0019","20.17","0.006","90","","114.181","0.003","90","","2305.1","1.1","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H28 Br N O2 S -","- C22 H28 Br N O2 S -","- C88 H112 Br4 N4 O8 S4 -","4","2","","Guo, Tao; Yuan, Bin-Hua; Liu, Wen-Jie","Highly efficient asymmetric construction of novel indolines and tetrahydroquinoline derivatives via aza-Barbier/C-N coupling reaction.","Organic & biomolecular chemistry","2017","16","1","57","61","10.1039/c7ob02891a","","","0.71073","MoKα","","0.0702","0.0435","","","0.102","0.1306","","","","","","1.036","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156012","19.6052","0.0007","6.8504","0.0002","24.8223","0.0009","90","","90","","90","","3333.7","0.2","223","","223","1","","","","","","","see text","3","P b c a","-P 2ac 2ab","61","","(2Z)-7-phenyl-2-(phenylmethylidine)-1,4,6-triozaspiro[4.5]decane","","- C20 H20 O3 -","- C20 H20 O3 -","- C160 H160 O24 -","8","1","","Lombard, Fanny J.; Lepage, Romain J.; Schwartz, Brett D.; Johnston, Ryne C.; Healy, Peter C.; Krenske, Elizabeth H.; Coster, Mark J.","Synthesis of spirocyclic orthoesters by 'anomalous' rhodium(ii)-catalysed intramolecular C-H insertions.","Organic & biomolecular chemistry","2018","16","2","256","261","10.1039/c7ob02123b","","","0.7107","MoKα","","0.1049","0.0657","","","0.1044","0.1168","","","","","","1.117","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156013","5.5664","0.0003","8.8236","0.0005","28.6221","0.0019","90","","90","","90","","1405.79","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N3 O -","- C18 H15 N3 O -","- C72 H60 N12 O4 -","4","1","","Ruvinskaya, Julia O.; Rostovskii, Nikolai V.; Filippov, Ilya P.; Khlebnikov, Alexander F.; Novikov, Mikhail S.","A novel approach to 5H-pyrazino[2,3-b]indoles via annulation of 3-diazoindolin-2-imines with 2H-azirines or 5-alkoxyisoxazoles under Rh(ii) catalysis.","Organic & biomolecular chemistry","2017","16","1","38","42","10.1039/c7ob02637d","","","0.71073","MoKα","","0.0505","0.0419","","","0.0891","0.0924","","","","","","1.07","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156014","19.3723","0.0014","8.7871","0.0005","19.497","0.0014","90","","109.41","0.008","90","","3130.3","0.4","295.3","0.7","295.3","0.7","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 N4 O -","- C18 H12 N4 O -","- C144 H96 N32 O8 -","8","1","","Zhang, Cheng; Dong, Shanliang; Zheng, Yang; He, Ciwang; Chen, Jiaolong; Zhen, Jingsen; Qiu, Lihua; Xu, Xinfang","Synthesis of spiro-4H-pyrazole-oxindoles and fused 1H-pyrazoles via divergent, thermally induced tandem cyclization/migration of alkyne-tethered diazo compounds.","Organic & biomolecular chemistry","2018","16","5","688","692","10.1039/c7ob02802d","","","0.71073","MoKα","","0.1056","0.0503","","","0.1085","0.1377","","","","","","1.01","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156015","5.432","0.0002","19.9758","0.0009","17.4712","0.0008","90","","97.033","0.002","90","","1881.51","0.14","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N3 O3 S -","- C23 H17 N3 O3 S -","- C92 H68 N12 O12 S4 -","4","1","","Zhang, Cheng; Dong, Shanliang; Zheng, Yang; He, Ciwang; Chen, Jiaolong; Zhen, Jingsen; Qiu, Lihua; Xu, Xinfang","Synthesis of spiro-4H-pyrazole-oxindoles and fused 1H-pyrazoles via divergent, thermally induced tandem cyclization/migration of alkyne-tethered diazo compounds.","Organic & biomolecular chemistry","2018","16","5","688","692","10.1039/c7ob02802d","","","0.71073","MoKα","","0.0929","0.0674","","","0.1659","0.192","","","","","","1.159","","","","has coordinates,has disorder","301861","2025-08-22","11:12:37",""
"7156016","10.2838","0.0005","12.8459","0.001","20.2842","0.0018","101.537","0.007","91.712","0.005","108.106","0.006","2483.3","0.3","293","","293","","","","","","","","","8","P -1","-P 1","2","","","","- C52.5 H46 Br Cl Cu N3 O P2 -","- C52.5 H44 Br Cl Cu N3 O P2 -","- C105 H88 Br2 Cl2 Cu2 N6 O2 P4 -","2","1","","Zhang, Cheng; Dong, Shanliang; Zheng, Yang; He, Ciwang; Chen, Jiaolong; Zhen, Jingsen; Qiu, Lihua; Xu, Xinfang","Synthesis of spiro-4H-pyrazole-oxindoles and fused 1H-pyrazoles via divergent, thermally induced tandem cyclization/migration of alkyne-tethered diazo compounds.","Organic & biomolecular chemistry","2018","16","5","688","692","10.1039/c7ob02802d","","","0.71073","MoKα","","0.1506","0.0729","","","0.1784","0.2325","","","","","","1.032","","","","has coordinates","230670","2020-10-21","18:00:00",""
"7156017","6.0374","0.0007","9.0824","0.001","13.2438","0.0015","71.46","0.002","88.791","0.002","78.837","0.002","674.86","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H13 N O3 S3 -","- C11 H13 N O3 S3 -","- C22 H26 N2 O6 S6 -","2","1","","Anitha, Mandala; Swamy, K. C. Kumara","Synthesis of thiazolidine-thiones, imino-thiazolidines and oxazolidines via the base promoted cyclisation of epoxy-sulfonamides and heterocumulenes.","Organic & biomolecular chemistry","2018","16","3","402","413","10.1039/c7ob02915b","","","0.71073","MoKα","","0.0748","0.0703","","","0.2061","0.2115","","","","","","1.06","","","","has coordinates,has disorder","230882","2020-10-21","18:00:00",""
"7156018","15.4813","0.0007","13.2156","0.0006","11.737","0.0004","90","","98.003","0.001","90","","2377.94","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N O5 P S -","- C22 H28 N O5 P S -","- C88 H112 N4 O20 P4 S4 -","4","1","","Anitha, Mandala; Swamy, K. C. Kumara","Synthesis of thiazolidine-thiones, imino-thiazolidines and oxazolidines via the base promoted cyclisation of epoxy-sulfonamides and heterocumulenes.","Organic & biomolecular chemistry","2018","16","3","402","413","10.1039/c7ob02915b","","","0.71073","MoKα","","0.0757","0.0625","","","0.1686","0.1792","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156019","6.1417","0.0008","9.665","0.0013","20.803","0.003","90","","97.498","0.002","90","","1224.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O2 S3 -","- C10 H11 N O2 S3 -","- C40 H44 N4 O8 S12 -","4","1","","Anitha, Mandala; Swamy, K. C. Kumara","Synthesis of thiazolidine-thiones, imino-thiazolidines and oxazolidines via the base promoted cyclisation of epoxy-sulfonamides and heterocumulenes.","Organic & biomolecular chemistry","2018","16","3","402","413","10.1039/c7ob02915b","","","0.71073","MoKα","","0.0574","0.056","","","0.1341","0.1351","","","","","","1.182","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156020","10.9934","0.0013","15.541","0.002","10.7812","0.0015","90","","99.582","0.004","90","","1816.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Cl N2 O3 S2 -","- C17 H17 Cl N2 O3 S2 -","- C68 H68 Cl4 N8 O12 S8 -","4","1","","Anitha, Mandala; Swamy, K. C. Kumara","Synthesis of thiazolidine-thiones, imino-thiazolidines and oxazolidines via the base promoted cyclisation of epoxy-sulfonamides and heterocumulenes.","Organic & biomolecular chemistry","2018","16","3","402","413","10.1039/c7ob02915b","","","0.71073","MoKα","","0.1339","0.0885","","","0.1875","0.2073","","","","","","1.057","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156021","17.218","0.007","7.657","0.003","14.611","0.006","90","","103.225","0.012","90","","1875.2","1.3","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Cl N2 O2 S2 -","- C18 H19 Cl N2 O2 S2 -","- C72 H76 Cl4 N8 O8 S8 -","4","1","","Anitha, Mandala; Swamy, K. C. Kumara","Synthesis of thiazolidine-thiones, imino-thiazolidines and oxazolidines via the base promoted cyclisation of epoxy-sulfonamides and heterocumulenes.","Organic & biomolecular chemistry","2018","16","3","402","413","10.1039/c7ob02915b","","","0.71073","MoKα","","0.1276","0.0547","","","0.1079","0.1277","","","","","","1.009","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156022","10.1637","0.0004","17.2472","0.0005","25.5023","0.0009","90","","90","","90","","4470.4","0.3","219.9","","219.9","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H55 Cl6 N5 O8 -","- C33 H55 Cl6 N5 O8 -","- C132 H220 Cl24 N20 O32 -","4","1","","Lee, Jaeyeon; Shim, Jihyun; Kang, Philjae; Choi, Moon-Gun; Choi, Soo Hyuk","Side chain-specific 11/9-helix propensity of α/β-peptides with alternating residue types.","Organic & biomolecular chemistry","2018","16","3","433","438","10.1039/c7ob02816d","","","0.71073","MoKα","","0.1037","0.0772","","","0.2108","0.2342","","","","","","1.03","","","","has coordinates,has disorder","301861","2025-08-22","11:12:37",""
"7156023","8.2376","0.0004","8.7359","0.0004","11.8649","0.0006","98.745","0.002","102.654","0.002","102.432","0.002","795.58","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","vbchem162_0m_a","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C36 H32 N4 O6 -","2","1","","Samanta, Sadhanendu; Mondal, Susmita; Hajra, Alakananda","A convergent synthesis of vinyloxyimidazopyridine via Cu(i)-catalyzed three-component coupling.","Organic & biomolecular chemistry","2018","16","7","1088","1092","10.1039/c7ob02883k","","","0.71073","MoKα","","0.0913","0.067","","","0.1789","0.2103","","","","","","1.158","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156024","9.5942","0.0006","9.7522","0.0007","10.4775","0.0006","101.242","0.003","98.692","0.003","100.998","0.003","925.62","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","vbchem152_0m_a","vbchem152_0m_a","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C46 H40 N4 O2 -","2","1","","Samanta, Sadhanendu; Mondal, Susmita; Hajra, Alakananda","A convergent synthesis of vinyloxyimidazopyridine via Cu(i)-catalyzed three-component coupling.","Organic & biomolecular chemistry","2018","16","7","1088","1092","10.1039/c7ob02883k","","","0.71073","MoKα","","0.1304","0.0923","","","0.2333","0.273","","","","","","1.24","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156025","11.0397","0.0005","10.6042","0.0003","19.2081","0.0009","90","","90","","90","","2248.64","0.16","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(4-fluorophenyl)-1,3-dimethyl-3-azabicyclo[3.1.0]hexan-2-one","","- C13 H14 F N O -","- C13 H14 F N O -","- C104 H112 F8 N8 O8 -","8","1","","Maslivetc, Vladimir; Barrett, Colby; Aksenov, Nicolai A.; Rubina, Marina; Rubin, Michael","Intramolecular nucleophilic addition of carbanions generated from N-benzylamides to cyclopropenes.","Organic & biomolecular chemistry","2018","16","2","285","294","10.1039/c7ob02068f","","x-ray","1.54184","CuKα","","0.0736","0.0652","","","0.1715","0.1812","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156026","5.9946","0.0002","13.3006","0.0005","13.1317","0.0005","90","","93.111","0.003","90","","1045.47","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl 2-((3R,4S,5S)-4-nitro-2-((2-nitrophenyl)sulfonyl)-3-phenyl-1,2-oxazinan-5-yl)acetate","","- C19 H19 N3 O9 S -","- C19 H19 N3 O9 S -","- C38 H38 N6 O18 S2 -","2","1","","Moczulski, Marek; Drelich, Piotr; Albrecht, Łukasz","Bifunctional catalysis in the stereocontrolled synthesis of tetrahydro-1,2-oxazines.","Organic & biomolecular chemistry","2018","16","3","376","379","10.1039/c7ob02894f","","x-ray","1.54184","CuKα","","0.0633","0.058","","","0.1566","0.1609","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156027","15.2712","0.0005","11.6024","0.0004","14.692","0.0005","90","","107.143","0.001","90","","2487.51","0.15","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cl2 O2 -","- C30 H24 Cl2 O2 -","- C120 H96 Cl8 O8 -","4","1","","Jagtap, Pratap R.; Císařová, Ivana; Jahn, Ullrich","Bioinspired total synthesis of tetrahydrofuran lignans by tandem nucleophilic addition/redox isomerization/oxidative coupling and cycloetherification reactions as key steps.","Organic & biomolecular chemistry","2018","16","5","750","755","10.1039/c7ob02848b","","","1.54178","CuKα","","0.0493","0.0365","","","0.0841","0.091","","","","","","1.022","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156028","14.8423","0.0004","16.4382","0.0005","12.546","0.0004","90","","97.066","0.001","90","","3037.73","0.16","150","2","150","2","","","","","","","synthesized by the authors","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 O2 -","- C24 H30 O2 -","- C144 H180 O12 -","6","1.5","","Jagtap, Pratap R.; Císařová, Ivana; Jahn, Ullrich","Bioinspired total synthesis of tetrahydrofuran lignans by tandem nucleophilic addition/redox isomerization/oxidative coupling and cycloetherification reactions as key steps.","Organic & biomolecular chemistry","2018","16","5","750","755","10.1039/c7ob02848b","","","1.54178","CuKα","","0.0602","0.0447","","","0.0995","0.1075","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156029","8.2432","0.0002","10.4558","0.0003","13.9905","0.0004","89.46","0.001","73.266","0.001","88.81","0.001","1154.51","0.05","150","2","150","2","","","","","","","synthesized by the authors","3","P -1","-P 1","2","","","","- C30 H26 O2 -","- C30 H26 O2 -","- C60 H52 O4 -","2","1","","Jagtap, Pratap R.; Císařová, Ivana; Jahn, Ullrich","Bioinspired total synthesis of tetrahydrofuran lignans by tandem nucleophilic addition/redox isomerization/oxidative coupling and cycloetherification reactions as key steps.","Organic & biomolecular chemistry","2018","16","5","750","755","10.1039/c7ob02848b","","","1.54178","CuKα","","0.0438","0.0363","","","0.0966","0.1013","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156030","8.2454","0.0002","10.3667","0.0003","14.2973","0.0004","90.201","0.001","104.558","0.001","90.585","0.001","1182.78","0.06","150","2","150","2","","","","","","","synthesized by the authors","4","P -1","-P 1","2","","","","- C30 H24 F2 O2 -","- C30 H24 F2 O2 -","- C60 H48 F4 O4 -","2","1","","Jagtap, Pratap R.; Císařová, Ivana; Jahn, Ullrich","Bioinspired total synthesis of tetrahydrofuran lignans by tandem nucleophilic addition/redox isomerization/oxidative coupling and cycloetherification reactions as key steps.","Organic & biomolecular chemistry","2018","16","5","750","755","10.1039/c7ob02848b","","","1.54178","CuKα","","0.0416","0.0368","","","0.0899","0.093","","","","","","1.037","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156031","6.164","0.0003","8.847","0.0004","12.0067","0.0005","106.131","0.001","92.963","0.001","101.467","0.001","612.44","0.05","150","2","150","2","","","","","","","synthesized by the authors","4","P -1","-P 1","2","","","","- C30 H24 Cl2 O2 -","- C30 H24 Cl2 O2 -","- C30 H24 Cl2 O2 -","1","0.5","","Jagtap, Pratap R.; Císařová, Ivana; Jahn, Ullrich","Bioinspired total synthesis of tetrahydrofuran lignans by tandem nucleophilic addition/redox isomerization/oxidative coupling and cycloetherification reactions as key steps.","Organic & biomolecular chemistry","2018","16","5","750","755","10.1039/c7ob02848b","","","1.54178","CuKα","","0.0305","0.0298","","","0.0778","0.0783","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156034","29.898","0.003","12.7893","0.0014","24.928","0.003","90","","123.131","0.002","90","","7982.2","1.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H30 F5 N O2 -","- C48 H30 F5 N O2 -","- C384 H240 F40 N8 O16 -","8","1","","Muthusamy, Sengodagounder; Balasubramani, Alagesan; Suresh, Eringathodi","A BF<sub>3</sub>·Et<sub>2</sub>O catalyzed atom-economical approach to highly substituted indole-3-carbinols from nitrosobenzenes and propargylic alcohols.","Organic & biomolecular chemistry","2018","16","5","756","764","10.1039/c7ob02559a","","","0.71073","MoKα","","0.087","0.0714","","","0.1533","0.1601","","","","","","1.146","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156035","12.813","0.002","14.49","0.002","16.225","0.004","108.147","0.003","98.12","0.004","116.118","0.002","2429.6","0.8","243","2","243","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 Br N O3.5 S -","- C27 H25 Br N O3.5 S -","- C108 H100 Br4 N4 O14 S4 -","4","2","","Wang, Shengzheng; Chen, Shuqiang; Guo, Zhongjie; He, Shipeng; Zhang, Fan; Liu, Xueying; Chen, Weiping; Zhang, Shengyong; Sheng, Chunquan","Synthesis of spiro-tetrahydrothiopyran-oxindoles by Michael-aldol cascade reactions: discovery of potential P53-MDM2 inhibitors with good antitumor activity.","Organic & biomolecular chemistry","2018","16","4","625","634","10.1039/c7ob02726e","","","0.71073","MoKα","","0.1058","0.0572","","","0.1385","0.1788","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156036","12.6542","0.0008","6.7364","0.0004","18.7735","0.0012","90","","103.364","0.003","90","","1556.99","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(5-Chloro-3-methyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridin-6-yl)phenol","","- C19 H14 Cl N3 O -","- C19 H14 Cl N3 O -","- C76 H56 Cl4 N12 O4 -","4","1","","Miliutina, Mariia; Janke, Julia; Hassan, Sidra; Zaib, Sumera; Iqbal, Jamshed; Lecka, Joanna; Sévigny, Jean; Villinger, Alexander; Friedrich, Aleksej; Lochbrunner, Stefan; Langer, Peter","A domino reaction of 3-chlorochromones with aminoheterocycles. Synthesis of pyrazolopyridines and benzofuropyridines and their optical and ecto-5'-nucleotidase inhibitory effects.","Organic & biomolecular chemistry","2018","16","5","717","732","10.1039/c7ob02729j","","","0.71073","MoKα","","0.1236","0.0623","","","0.1084","0.1338","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156037","7.2883","0.0002","7.8141","0.0002","15.5616","0.0003","78.263","0.001","86.775","0.001","76.922","0.001","845.17","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","6-Chloro-7-(2-hydroxy-5-methylphenyl)pyrido[2,3-<i>d</i>]pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","","- C16 H16 Cl N3 O4 S -","- C16 H16 Cl N3 O4 S -","- C32 H32 Cl2 N6 O8 S2 -","2","1","","Miliutina, Mariia; Janke, Julia; Hassan, Sidra; Zaib, Sumera; Iqbal, Jamshed; Lecka, Joanna; Sévigny, Jean; Villinger, Alexander; Friedrich, Aleksej; Lochbrunner, Stefan; Langer, Peter","A domino reaction of 3-chlorochromones with aminoheterocycles. Synthesis of pyrazolopyridines and benzofuropyridines and their optical and ecto-5'-nucleotidase inhibitory effects.","Organic & biomolecular chemistry","2018","16","5","717","732","10.1039/c7ob02729j","","","0.71073","MoKα","","0.055","0.039","","","0.0941","0.1038","","","","","","1.039","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156038","32.653","0.002","4.8634","0.0004","21.787","0.0016","90","","119.984","0.004","90","","2996.8","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,8-Dimethyl-1-phenyl-1<i>H</i>-benzofuro[3,2-<i>b</i>]pyrazolo[4,3-<i>e</i>]pyridine","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C160 H120 N24 O8 -","8","1","","Miliutina, Mariia; Janke, Julia; Hassan, Sidra; Zaib, Sumera; Iqbal, Jamshed; Lecka, Joanna; Sévigny, Jean; Villinger, Alexander; Friedrich, Aleksej; Lochbrunner, Stefan; Langer, Peter","A domino reaction of 3-chlorochromones with aminoheterocycles. Synthesis of pyrazolopyridines and benzofuropyridines and their optical and ecto-5'-nucleotidase inhibitory effects.","Organic & biomolecular chemistry","2018","16","5","717","732","10.1039/c7ob02729j","","","0.71073","MoKα","","0.0757","0.0462","","","0.1076","0.1274","","","","","","1.019","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156039","20.255","0.01","7.228","0.004","14.842","0.008","90","","107.35","0.03","90","","2074","1.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(5-Chloro-3-methyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridin-6-yl)-4-methylphenol","","- C21 H20 Cl N3 O3 S -","- C21 H20 Cl N3 O3 S -","- C84 H80 Cl4 N12 O12 S4 -","4","1","","Miliutina, Mariia; Janke, Julia; Hassan, Sidra; Zaib, Sumera; Iqbal, Jamshed; Lecka, Joanna; Sévigny, Jean; Villinger, Alexander; Friedrich, Aleksej; Lochbrunner, Stefan; Langer, Peter","A domino reaction of 3-chlorochromones with aminoheterocycles. Synthesis of pyrazolopyridines and benzofuropyridines and their optical and ecto-5'-nucleotidase inhibitory effects.","Organic & biomolecular chemistry","2018","16","5","717","732","10.1039/c7ob02729j","","","0.71073","MoKα","","0.1086","0.0491","","","0.097","0.1205","","","","","","1.03","","","","has coordinates,has disorder","301861","2025-08-22","11:12:37",""
"7156040","14.4555","0.0007","5.39","0.0003","22.7358","0.001","90","","100.038","0.004","90","","1744.35","0.15","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 O3 -","- C23 H20 O3 -","- C92 H80 O12 -","4","1","","Shoji, Taku; Tanaka, Miwa; Takagaki, Sho; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Mori, Shigeki; Okujima, Tetsuo","Synthesis of azulene-substituted benzofurans and isocoumarins via intramolecular cyclization of 1-ethynylazulenes, and their structural and optical properties.","Organic & biomolecular chemistry","2018","16","3","480","489","10.1039/c7ob02861j","","","0.71075","MoKα","","0.08","0.052","","","0.1085","0.1202","","","","","","1.05","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156041","6.7449","0.0004","11.3462","0.0007","12.9292","0.0007","67.033","0.005","83.287","0.005","88.921","0.005","904.39","0.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H20 O4 -","- C24 H20 O4 -","- C48 H40 O8 -","2","1","","Shoji, Taku; Tanaka, Miwa; Takagaki, Sho; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Mori, Shigeki; Okujima, Tetsuo","Synthesis of azulene-substituted benzofurans and isocoumarins via intramolecular cyclization of 1-ethynylazulenes, and their structural and optical properties.","Organic & biomolecular chemistry","2018","16","3","480","489","10.1039/c7ob02861j","","","0.71075","MoKα","","0.0792","0.0514","","","0.1121","0.1253","","","","","","1.018","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156042","7.76154","0.00016","14.0693","0.0003","16.6303","0.0003","103.626","0.0017","100.792","0.0017","99.5738","0.0017","1691.05","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H13 I O4 -","- C21 H13 I O4 -","- C84 H52 I4 O16 -","4","2","","Shoji, Taku; Tanaka, Miwa; Takagaki, Sho; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Mori, Shigeki; Okujima, Tetsuo","Synthesis of azulene-substituted benzofurans and isocoumarins via intramolecular cyclization of 1-ethynylazulenes, and their structural and optical properties.","Organic & biomolecular chemistry","2018","16","3","480","489","10.1039/c7ob02861j","","","0.71075","MoKα","","0.0418","0.0332","","","0.0686","0.0719","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156043","12.5028","0.0006","9.0127","0.0003","17.7036","0.001","90","","103.877","0.005","90","","1936.69","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 I O4 -","- C24 H19 I O4 -","- C96 H76 I4 O16 -","4","1","","Shoji, Taku; Tanaka, Miwa; Takagaki, Sho; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Mori, Shigeki; Okujima, Tetsuo","Synthesis of azulene-substituted benzofurans and isocoumarins via intramolecular cyclization of 1-ethynylazulenes, and their structural and optical properties.","Organic & biomolecular chemistry","2018","16","3","480","489","10.1039/c7ob02861j","","","0.71075","MoKα","","0.0669","0.0452","","","0.0762","0.0828","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156044","6.7649","0.0002","12.8471","0.0004","24.6221","0.0007","82.354","0.002","86.293","0.002","88.097","0.002","2115.77","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 I O4 -","- C25 H21 I O4 -","- C100 H84 I4 O16 -","4","2","","Shoji, Taku; Tanaka, Miwa; Takagaki, Sho; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Mori, Shigeki; Okujima, Tetsuo","Synthesis of azulene-substituted benzofurans and isocoumarins via intramolecular cyclization of 1-ethynylazulenes, and their structural and optical properties.","Organic & biomolecular chemistry","2018","16","3","480","489","10.1039/c7ob02861j","","","0.71075","MoKα","","0.0804","0.0483","","","0.0806","0.0899","","","","","","1.014","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156045","27.2601","0.0008","10.403","0.0003","26.2305","0.0007","90","","90.833","0.002","90","","7437.8","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 O3 -","- C24 H22 O3 -","- C384 H352 O48 -","16","4","","Shoji, Taku; Tanaka, Miwa; Takagaki, Sho; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Mori, Shigeki; Okujima, Tetsuo","Synthesis of azulene-substituted benzofurans and isocoumarins via intramolecular cyclization of 1-ethynylazulenes, and their structural and optical properties.","Organic & biomolecular chemistry","2018","16","3","480","489","10.1039/c7ob02861j","","","0.71075","MoKα","","0.146","0.0885","","","0.2033","0.2379","","","","","","1.058","","","","has coordinates,has disorder","301861","2025-08-22","11:12:37",""
"7156046","7.7672","0.0002","9.3611","0.0003","19.2665","0.0006","90","","90","","90","","1400.86","0.07","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 N O2 -","- C14 H23 N O2 -","- C56 H92 N4 O8 -","4","1","","Liu, Yi-Wen; Ma, Rui-Jun; Yan, Jia-Hang; Zhou, Zhu; Wei, Bang-Guo","Asymmetric synthesis of (-)-sedacryptine through a diastereoselective Mannich reaction of N,O-acetals with ketones.","Organic & biomolecular chemistry","2018","16","5","771","779","10.1039/c7ob02989f","","","1.54178","CuKα","","0.0484","0.0448","","","0.1198","0.1238","","","","","","1.061","","","","has coordinates","230668","2020-10-21","18:00:00",""
"7156047","33.616","0.0019","7.9053","0.0004","11.1852","0.0007","90","","91.38","0.002","90","","2971.5","0.3","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H43 N O4 Si -","- C27 H43 N O4 Si -","- C108 H172 N4 O16 Si4 -","4","1","","Liu, Yi-Wen; Ma, Rui-Jun; Yan, Jia-Hang; Zhou, Zhu; Wei, Bang-Guo","Asymmetric synthesis of (-)-sedacryptine through a diastereoselective Mannich reaction of N,O-acetals with ketones.","Organic & biomolecular chemistry","2018","16","5","771","779","10.1039/c7ob02989f","","","0.71073","MoKα","","0.0538","0.0449","","","0.127","0.1375","","","","","","1.008","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156048","18.502","0.003","7.545","0.0013","14.387","0.002","90","","119.633","0.003","90","","1745.7","0.5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H17 Br O3 -","- C20 H17 Br O3 -","- C80 H68 Br4 O12 -","4","1","","Li, Kun; Zhu, Fu-Lin; Liu, Zhen-Ting; Tong, Jing; Hu, Xiang-Ping","Decarboxylation-promoted Pd-catalyzed asymmetric propargylic [3 + 2] annulation for the enantioselective construction of a quaternary stereocenter in 2,3-dihydrofurans.","Organic & biomolecular chemistry","2018","16","5","742","749","10.1039/c7ob02778h","","","0.71073","MoKα","","0.0568","0.0419","","","0.1067","0.1143","","","","","","0.985","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156049","15.4159","0.0007","16.6808","0.0009","17.397","0.0006","90","","106.212","0.004","90","","4295.7","0.3","293","2","293.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O2 -","- C12 H16 O2 -","- C192 H256 O32 -","16","4","","Meng, Zhe; Liu, Bo","Total synthesis of five natural eremophilane-type sesquiterpenoids.","Organic & biomolecular chemistry","2018","16","6","957","962","10.1039/c7ob02769a","","x-ray","0.71073","MoKα","","0.0909","0.0493","","","0.117","0.1397","","","","","","1.016","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156050","7.3633","0.0006","8.6583","0.0008","9.2145","0.0009","95.128","0.008","98.931","0.008","111.272","0.008","533.98","0.09","293","2","293.15","","","","","","","","","3","P -1","-P 1","2","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C24 H32 O6 -","2","1","","Meng, Zhe; Liu, Bo","Total synthesis of five natural eremophilane-type sesquiterpenoids.","Organic & biomolecular chemistry","2018","16","6","957","962","10.1039/c7ob02769a","","x-ray","0.71073","MoKα","","0.0637","0.0455","","","0.1011","0.1131","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156051","15.0329","0.0006","7.9949","0.0003","11.4441","0.0006","90","","97.344","0.004","90","","1364.14","0.1","293","2","293.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Meng, Zhe; Liu, Bo","Total synthesis of five natural eremophilane-type sesquiterpenoids.","Organic & biomolecular chemistry","2018","16","6","957","962","10.1039/c7ob02769a","","x-ray","0.71073","MoKα","","0.0746","0.0487","","","0.1132","0.1303","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156052","10.7257","0.0002","11.3249","0.0002","39.4835","0.0005","90","","90","","90","","4795.96","0.14","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","spiro-rhombimine","","","- C54 H60 N4 O8 -","- C54 H60 N4 O8 -","- C216 H240 N16 O32 -","4","1","","Grajewski, J.; Piotrowska, K.; Zgorzelak, M.; Janiak, A.; Biniek-Antosiak, K; Rychlewska, U.; Gawronski, J.","Introduction of axial chirality at a spiro carbon atom in the synthesis of pentaerythritol-imine macrocycles.","Organic & biomolecular chemistry","2018","16","6","981","987","10.1039/c7ob02672b","","","1.54184","CuKα","","0.0504","0.0492","","","0.1325","0.1335","","","","","","1.069","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156053","11.2591","0.0007","10.2596","0.0005","19.9617","0.0011","90","","91.988","0.002","90","","2304.5","0.2","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N2 O4 -","- C28 H26 N2 O4 -","- C112 H104 N8 O16 -","4","1","","Shang, Xinye; Liu, Kun; Zhang, Zhongyin; Xu, Xianhong; Li, Pengfei; Li, Wenjun","Direct access to spirobiisoxazoline via the double 1,3-dipolar cycloaddition of nitrile oxide with allenoate.","Organic & biomolecular chemistry","2018","16","6","895","898","10.1039/c7ob03040a","","x-ray","0.71073","MoKα","","0.086","0.0488","","","0.0981","0.1116","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156054","9.608","0.004","9.984","0.005","28.09","0.013","90","","90","","90","","2695","2","299","2","299","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 Br F N3 O4 -","- C31 H23 Br F N3 O4 -","- C124 H92 Br4 F4 N12 O16 -","4","1","","Wu, Shiqi; Zhu, Guodong; Wei, Shiqiang; Chen, Hongbo; Qu, Jingping; Wang, Baomin","Organocatalytic [3 + 2] cycloaddition of oxindole-based azomethine ylides with 3-nitrochromenes: a facile approach to enantioenriched polycyclic spirooxindole-chromane adducts.","Organic & biomolecular chemistry","2018","16","5","807","815","10.1039/c7ob03051g","","","0.71073","MoKα","","0.0573","0.0521","","","0.1377","0.1414","","","","","","1.026","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156055","9.6421","0.0008","18.6118","0.0012","20.0924","0.0014","90","","90","","90","","3605.7","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H47 B N2 O3 -","- C43 H47 B N2 O3 -","- C172 H188 B4 N8 O12 -","4","1","","Setner, B.; Wierzbicka, M.; Jerzykiewicz, L.; Lisowski, M.; Szewczuk, Z.","The unexpected racemization and hydrogen-deuterium exchange of the hydrogen at the α-carbon of proline analogs containing the 5-azoniaspiro[4.4]nonyl-group.","Organic & biomolecular chemistry","2018","16","5","825","831","10.1039/c7ob02926h","","","0.71073","MoKα","","0.0697","0.049","","","0.0883","0.097","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156056","9.7197","0.0006","12.3037","0.0005","19.686","0.0009","90","","90","","90","","2354.2","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,4S)-1-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(tosylamine)pyrrolidine","","- C23 H30 N2 O4 S -","- C23 H30 N2 O4 S -","- C92 H120 N8 O16 S4 -","4","1","","Castán, A; Badorrey, R.; Gálvez, J A; López-Ram-de-Víu, P; Díaz-de-Villegas, M D","Michael addition of carbonyl compounds to nitroolefins under the catalysis of new pyrrolidine-based bifunctional organocatalysts.","Organic & biomolecular chemistry","2018","16","6","924","935","10.1039/c7ob02798b","","","0.71073","MoKα","","0.1471","0.0664","","","0.1025","0.1263","","","","","","0.994","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156057","14.565","0.003","11.48","0.002","24.047","0.005","90","","90","","90","","4020.8","1.4","173.15","","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H20 I N O -","- C24 H20 I N O -","- C192 H160 I8 N8 O8 -","8","1","","Liu, Jie-Jie; Huang, Hong-Yan; Cheng, Liang; Liu, Qi; Wang, Dong; Liu, Li","A catalyst-free intermolecular trans-iodoalkylation of alkynes.","Organic & biomolecular chemistry","2018","16","6","899","903","10.1039/c7ob03159a","","","0.71073","MoKα","","0.0392","0.0364","","","0.0754","0.0766","","","","","","1.193","","","","has coordinates,has disorder","301861","2025-08-22","11:12:37",""
"7156058","12.79","0.004","14.85","0.005","12.068","0.004","90","","97.127","0.006","90","","2274.4","1.3","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N O3 -","- C28 H25 N O3 -","- C112 H100 N4 O12 -","4","1","","Liu, Jie-Jie; Huang, Hong-Yan; Cheng, Liang; Liu, Qi; Wang, Dong; Liu, Li","A catalyst-free intermolecular trans-iodoalkylation of alkynes.","Organic & biomolecular chemistry","2018","16","6","899","903","10.1039/c7ob03159a","","","0.71073","MoKα","","0.1177","0.0982","","","0.1497","0.1567","","","","","","1.308","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156059","9.2532","0.0019","9.542","0.003","12.045","0.003","82.895","0.003","86.591","0.003","79.419","0.003","1036.7","0.5","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Cl I N O -","- C24 H19 Cl I N O -","- C48 H38 Cl2 I2 N2 O2 -","2","1","","Liu, Jie-Jie; Huang, Hong-Yan; Cheng, Liang; Liu, Qi; Wang, Dong; Liu, Li","A catalyst-free intermolecular trans-iodoalkylation of alkynes.","Organic & biomolecular chemistry","2018","16","6","899","903","10.1039/c7ob03159a","","","0.71073","MoKα","","0.0352","0.0339","","","0.0796","0.0805","","","","","","1.162","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156060","10.69","0.002","28.425","0.006","9.586","0.002","90","","111.155","0.003","90","","2716.5","1","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 Cl2 N2 O2 -","- C33 H30 Cl2 N2 O2 -","- C132 H120 Cl8 N8 O8 -","4","1","","Liu, Jie-Jie; Huang, Hong-Yan; Cheng, Liang; Liu, Qi; Wang, Dong; Liu, Li","A catalyst-free intermolecular trans-iodoalkylation of alkynes.","Organic & biomolecular chemistry","2018","16","6","899","903","10.1039/c7ob03159a","","","0.71073","MoKα","","0.0607","0.0541","","","0.1238","0.1278","","","","","","1.096","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156061","13.368","0.005","7.287","0.002","14.142","0.005","90","","113.436","0.008","90","","1264","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-3,4-dichloro-2-(dimethylamino)-2-phenylbut-3-enenitrile","","- C12 H12 Cl2 N2 -","- C12 H12 Cl2 N2 -","- C48 H48 Cl8 N8 -","4","1","","Chehal, Navneet K.; Budzelaar, Peter H. M.; Hultin, Philip G.","E-Z isomerization in Suzuki cross-couplings of haloenones: ligand effects and evidence for a separate catalytic cycle.","Organic & biomolecular chemistry","2018","16","7","1134","1143","10.1039/c7ob02925j","","","0.71073","MoKα","","0.0545","0.0521","","","0.1343","0.1369","","","","","","1.061","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156062","6.1663","0.0008","12.6929","0.0011","17.4233","0.0015","90","","90","","90","","1363.7","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Z)-2-chloro-3-(2,3-dihydrobenzofuran-2-yl)-1-phenylprop-2-en-1-one","","- C17 H11 Cl O2 -","- C17 H11 Cl O2 -","- C68 H44 Cl4 O8 -","4","1","","Chehal, Navneet K.; Budzelaar, Peter H. M.; Hultin, Philip G.","E-Z isomerization in Suzuki cross-couplings of haloenones: ligand effects and evidence for a separate catalytic cycle.","Organic & biomolecular chemistry","2018","16","7","1134","1143","10.1039/c7ob02925j","","","0.71073","MoKα","","0.0331","0.0316","","","0.0825","0.0853","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156063","8.087","0.004","6.124","0.004","13.998","0.007","90","","91.49","0.009","90","","693","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-2-chloro-3-(2,3-dihydrobenzofuran-2-yl)-1-phenylprop-2-en-1-one","","- C17 H11 Cl O2 -","- C17 H11 Cl O2 -","- C34 H22 Cl2 O4 -","2","1","","Chehal, Navneet K.; Budzelaar, Peter H. M.; Hultin, Philip G.","E-Z isomerization in Suzuki cross-couplings of haloenones: ligand effects and evidence for a separate catalytic cycle.","Organic & biomolecular chemistry","2018","16","7","1134","1143","10.1039/c7ob02925j","","","0.71073","MoKα","","0.0395","0.0328","","","0.0829","0.0866","","","","","","1.144","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156064","8.858","0.003","11.306","0.005","27.121","0.011","90","","90","","90","","2716.1","1.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Z)-2-chloro-3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one","","- C16 H13 Cl O2 -","- C16 H13 Cl O2 -","- C128 H104 Cl8 O16 -","8","1","","Chehal, Navneet K.; Budzelaar, Peter H. M.; Hultin, Philip G.","E-Z isomerization in Suzuki cross-couplings of haloenones: ligand effects and evidence for a separate catalytic cycle.","Organic & biomolecular chemistry","2018","16","7","1134","1143","10.1039/c7ob02925j","","","0.71073","MoKα","","0.0391","0.036","","","0.1193","0.123","","","","","","1.068","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156065","8.8054","0.0008","11.6093","0.0011","26.7629","0.0015","90","","90","","90","","2735.8","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Z)-2-chloro-3-(4-methylphenyl)-1-phenylprop-2-en-1-one","","- C16 H13 Cl O -","- C16 H13 Cl O -","- C128 H104 Cl8 O8 -","8","1","","Chehal, Navneet K.; Budzelaar, Peter H. M.; Hultin, Philip G.","E-Z isomerization in Suzuki cross-couplings of haloenones: ligand effects and evidence for a separate catalytic cycle.","Organic & biomolecular chemistry","2018","16","7","1134","1143","10.1039/c7ob02925j","","","0.71073","MoKα","","0.0436","0.0408","","","0.1088","0.1132","","","","","","1.057","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156066","14.28","0.02","9.823","0.014","9.912","0.014","90","","98.27","0.02","90","","1376","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-2-chloro-3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one","","- C16 H13 Cl O2 -","- C16 H13 Cl O2 -","- C64 H52 Cl4 O8 -","4","1","","Chehal, Navneet K.; Budzelaar, Peter H. M.; Hultin, Philip G.","E-Z isomerization in Suzuki cross-couplings of haloenones: ligand effects and evidence for a separate catalytic cycle.","Organic & biomolecular chemistry","2018","16","7","1134","1143","10.1039/c7ob02925j","","","0.71073","MoKα","","0.0534","0.0481","","","0.1886","0.1976","","","","","","1.685","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156067","29.849","0.0002","7.002","0.0002","7.688","0.0008","90","","90","","90","","1606.81","0.17","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","Marek135 (Jian Qiang Huang)","","","- C16 H13 Br F N O4 -","- C16 H13 Br F N O4 -","- C64 H52 Br4 F4 N4 O16 -","4","1","","Huang, Jian Qiang; Nairoukh, Zackaria; Marek, Ilan","Electrophilic fluorination of stereodefined disubstituted silyl ketene hemiaminals en route to tertiary α-fluorinated carbonyl derivatives.","Organic & biomolecular chemistry","2018","16","7","1079","1082","10.1039/c8ob00067k","","","0.71073","MoKα","","0.058","0.0485","","","0.1317","0.1449","","","","","","1.122","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156068","12.091","0.004","12.635","0.005","25.986","0.01","90","","92.324","0.014","90","","3967","3","273.15","","273.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","(Z)-4-((2,4-dimethoxypyrimidin-5-yl)(phenyl)methylene)-2-methyl-3,4-dihydroisoquinolin-1(2H)-one","","- C23 H21 N3 O3 -","- C23 H21 N3 O3 -","- C184 H168 N24 O24 -","8","1","","Mondal, Amrita; Kundu, Priyanka; Jash, Moumita; Chowdhury, Chinmay","Palladium-catalysed stereoselective synthesis of 4-(diarylmethylidene)-3,4-dihydroisoquinolin-1(2H)-ones: expedient access to 4-substituted isoquinolin-1(2H)-ones and isoquinolines.","Organic & biomolecular chemistry","2018","16","6","963","980","10.1039/c7ob02788e","","","0.71073","MoKα","","0.1165","0.0563","","","0.1404","0.1729","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156069","10.117","0.003","13.923","0.004","12.307","0.004","90","","99.313","0.002","90","","1710.7","0.9","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","isoquinolin-4-yldiphenylmethanol","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","1","","Mondal, Amrita; Kundu, Priyanka; Jash, Moumita; Chowdhury, Chinmay","Palladium-catalysed stereoselective synthesis of 4-(diarylmethylidene)-3,4-dihydroisoquinolin-1(2H)-ones: expedient access to 4-substituted isoquinolin-1(2H)-ones and isoquinolines.","Organic & biomolecular chemistry","2018","16","6","963","980","10.1039/c7ob02788e","","","0.71073","MoKα","","0.067","0.0458","","","0.1019","0.1131","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156070","6.6454","0.0002","8.8659","0.0004","15.1694","0.0005","94.198","0.003","102.08","0.002","102.439","0.002","846.86","0.06","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","4-benzhydrylisoquinolin-1(2H)-one","","- C22 H17 N O -","- C22 H17 N O -","- C44 H34 N2 O2 -","2","1","","Mondal, Amrita; Kundu, Priyanka; Jash, Moumita; Chowdhury, Chinmay","Palladium-catalysed stereoselective synthesis of 4-(diarylmethylidene)-3,4-dihydroisoquinolin-1(2H)-ones: expedient access to 4-substituted isoquinolin-1(2H)-ones and isoquinolines.","Organic & biomolecular chemistry","2018","16","6","963","980","10.1039/c7ob02788e","","","0.71073","MoKα","","0.0743","0.0458","","","0.1258","0.1416","","","","","","0.996","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156071","20.649","0.0017","10.8202","0.0008","20.1324","0.0017","90","","126.199","0.002","90","","3629.8","0.5","273","2","273.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-methyl-4-(3-oxo-1-phenyl-1,3-dihydroisobenzofuran-1-yl)isoquinolin-1(2H)-one","","- C24 H17 N O3 -","- C24 H17 N O3 -","- C192 H136 N8 O24 -","8","1","","Mondal, Amrita; Kundu, Priyanka; Jash, Moumita; Chowdhury, Chinmay","Palladium-catalysed stereoselective synthesis of 4-(diarylmethylidene)-3,4-dihydroisoquinolin-1(2H)-ones: expedient access to 4-substituted isoquinolin-1(2H)-ones and isoquinolines.","Organic & biomolecular chemistry","2018","16","6","963","980","10.1039/c7ob02788e","","","0.71073","MoKα","","0.0773","0.0405","","","0.1194","0.162","","","","","","1.035","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156073","14.9764","0.0004","6.8786","0.0002","19.4161","0.0004","90","","90","","90","","2000.18","0.09","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C21 H18 F3 N3 O4 -","- C21 H18 F3 N3 O4 -","- C84 H72 F12 N12 O16 -","4","0.5","","Utecht, Greta; Fruziński, Andrzej; Jasiński, Marcin","Polysubstituted 3-trifluoromethylpyrazoles: regioselective (3 + 2)-cycloaddition of trifluoroacetonitrile imines with enol ethers and functional group transformations.","Organic & biomolecular chemistry","2018","16","8","1252","1257","10.1039/c7ob03126b","","x-ray","1.54184","CuKα","","0.0468","0.0391","","","0.1106","0.1151","","","","","","1.093","","","","has coordinates,has disorder","230644","2020-10-21","18:00:00",""
"7156074","15.5438","0.0003","7.15478","0.00011","23.2224","0.0004","90","","90","","90","","2582.62","0.08","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","trans-1-(p-Totyl)-3-trifluoromethyl-3a,4,5,6a-tetrahydro-1H-furo[2,3-c]pyrazole","","- C13 H13 F3 N2 O -","- C13 H13 F3 N2 O -","- C104 H104 F24 N16 O8 -","8","1","","Utecht, Greta; Fruziński, Andrzej; Jasiński, Marcin","Polysubstituted 3-trifluoromethylpyrazoles: regioselective (3 + 2)-cycloaddition of trifluoroacetonitrile imines with enol ethers and functional group transformations.","Organic & biomolecular chemistry","2018","16","8","1252","1257","10.1039/c7ob03126b","","x-ray","1.54184","CuKα","","0.0454","0.039","","","0.101","0.1049","","","","","","1.076","","","","has coordinates,has disorder","230644","2020-10-21","18:00:00",""
"7156075","15.05","0.0015","15.9438","0.0016","15.0274","0.0015","90","","113.382","0.002","90","","3309.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 Cl N2 O8 -","- C37 H35 Cl N2 O8 -","- C148 H140 Cl4 N8 O32 -","4","1","","Ren, Hong-Xia; Peng, Lin; Song, Xiang-Jia; Liao, Li-Guo; Zou, Ying; Tian, Fang; Wang, Li-Xin","Effective and diastereoselective preparation of dispiro[cyclopent-3'-ene]bisoxindoles via novel [3 + 2] annulation of isoindigos and MBH carbonates.","Organic & biomolecular chemistry","2018","16","8","1297","1304","10.1039/c7ob03009f","","","0.71073","MoKα","","0.0506","0.041","","","0.1064","0.1126","","","","","","1.026","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156076","6.3278","0.0005","13.3923","0.001","18.8088","0.0014","90","","90","","90","","1593.9","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4-Chlorophenyl)(3-phenylimidazo[1,2-a]pyridin-2-yl)methanone","","- C20 H13 Cl N2 O -","- C20 H13 Cl N2 O -","- C80 H52 Cl4 N8 O4 -","4","1","","Kour, Dilpreet; Gupta, Annah; Kapoor, Kamal K.; Gupta, Vivek K.; Rajnikant, ?; Singh, Deepika; Das, Parthasarathi","Iodine-NH<sub>4</sub>OAc mediated regioselective synthesis of 2-aroyl-3-arylimidazo[1,2-a]pyridines from 1,3-diaryl-prop-2-en-1-ones.","Organic & biomolecular chemistry","2018","16","8","1330","1336","10.1039/c7ob02750h","","","0.71073","MoKα","","0.0676","0.0425","","","0.0744","0.0841","","","","","","0.992","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156077","8.791","0.0001","8.791","0.0001","38.3254","0.0008","90","","90","","90","","2961.85","0.08","100","2","100","0.14","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C12 H16 N2 O8 S -","- C12 H16 N2 O8 S -","- C96 H128 N16 O64 S8 -","8","1","","Vejlegaard, Kim; Wegeberg, Christina; McKee, Vickie; Wengel, Jesper","Novel conformationally constrained 2'-C-methylribonucleosides: synthesis and incorporation into oligonucleotides.","Organic & biomolecular chemistry","2018","16","8","1312","1321","10.1039/c7ob02663c","","x-ray","1.54184","CuKα","","0.0519","0.0465","","","0.1111","0.1146","","","","","","1.042","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156078","9.0606","0.0003","10.3676","0.0002","16.4849","0.0004","82.4953","0.0019","85.481","0.002","74.878","0.002","1480.49","0.07","100","2","100","0.14","","","","","","","","5","P 1","P 1","1","","","","- C12 H16 N2 O8 S -","- C12 H16 N2 O8 S -","- C48 H64 N8 O32 S4 -","4","4","","Vejlegaard, Kim; Wegeberg, Christina; McKee, Vickie; Wengel, Jesper","Novel conformationally constrained 2'-C-methylribonucleosides: synthesis and incorporation into oligonucleotides.","Organic & biomolecular chemistry","2018","16","8","1312","1321","10.1039/c7ob02663c","","x-ray","1.54184","CuKα","","0.0606","0.0541","","","0.1383","0.1461","","","","","","1.054","","","","has coordinates,has disorder","301861","2025-08-22","11:12:37",""
"7156079","5.9509","0.0012","7.1789","0.0012","16.121","0.004","90","","90.821","0.018","90","","688.6","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S)-1-phenylethyl (2R)-2-{[(carbamoylamino)oxy]methyl}oxirane-2-carboxylate","","- C13 H16 N2 O5 -","- C13 H16 N2 O5 -","- C26 H32 N4 O10 -","2","1","","Ahn, Yeong-Chan; Fischer, Conrad; van Belkum, Marco J.; Vederas, John C.","PLP-independent racemization: mechanistic and mutational studies of O-ureidoserine racemase (DcsC).","Organic & biomolecular chemistry","2018","16","7","1126","1133","10.1039/c7ob03013d","","","1.54178","CuKα","","0.1041","0.083","","","0.2308","0.256","","","","","","1.096","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156080","5.9238","0.0001","7.1787","0.0001","16.1585","0.0003","90","","90.8223","0.0008","90","","687.07","0.02","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1R)-1-phenylethyl (2S)-2-{[(carbamoylamino)oxy]methyl}oxirane-2-carboxylate","","- C13 H16 N2 O5 -","- C13 H16 N2 O5 -","- C26 H32 N4 O10 -","2","1","","Ahn, Yeong-Chan; Fischer, Conrad; van Belkum, Marco J.; Vederas, John C.","PLP-independent racemization: mechanistic and mutational studies of O-ureidoserine racemase (DcsC).","Organic & biomolecular chemistry","2018","16","7","1126","1133","10.1039/c7ob03013d","","","1.54178","CuKα","","0.0276","0.0268","","","0.0722","0.0729","","","","","","1.025","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156081","8.83","0.0002","14.378","0.0009","17.669","0.001","90","","90","","90","","2243.2","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Galia6 (Prathap)","","","- C24 H32 N4 O2 -","- C24 H32 N4 O2 -","- C96 H128 N16 O8 -","4","1","","Darapaneni, Chandra Mohan; Kaniraj, Prathap Jeya; Maayan, Galia","Water soluble hydrophobic peptoids via a minor backbone modification.","Organic & biomolecular chemistry","2018","16","9","1480","1488","10.1039/c7ob02928d","","","0.71073","MoKα","","0.0456","0.0384","","","0.0931","0.0958","","","","","","1.069","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156082","11.243","0.002","30.552","0.007","7.3019","0.0016","90","","90","","90","","2508.2","0.9","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","methyl 4-(1-hydroxy-4-(trifluoromethyl)-1H-pyrrol-2-yl)benzoate","","- C13 H10 F3 N O3 -","- C13 H10 F3 N O3 -","- C104 H80 F24 N8 O24 -","8","1","","Zeng, Qin; Zhang, Li; Xiao, Yuanjing; Zhang, Junliang","Divergent access to N-hydroxypyrroles and isoxazoles via the gold(i)- or Brønsted acid-catalysed regioselective cyclization of N-(2-trifluoromethyl-3-alkynyl) oximes.","Organic & biomolecular chemistry","2018","16","8","1375","1380","10.1039/c7ob03107f","","","0.71073","MoKα","","0.1248","0.0565","","","0.1321","0.1726","","","","","","1.018","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156083","14.0956","0.0005","11.3444","0.0004","19.9859","0.0005","90","","134.705","0.002","90","","2271.42","0.15","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","4-((4-(trifluoromethyl)isoxazol-5-yl)methyl)benzonitrile","","- C12 H7 F3 N2 O -","- C12 H7 F3 N2 O -","- C96 H56 F24 N16 O8 -","8","2","","Zeng, Qin; Zhang, Li; Xiao, Yuanjing; Zhang, Junliang","Divergent access to N-hydroxypyrroles and isoxazoles via the gold(i)- or Brønsted acid-catalysed regioselective cyclization of N-(2-trifluoromethyl-3-alkynyl) oximes.","Organic & biomolecular chemistry","2018","16","8","1375","1380","10.1039/c7ob03107f","","","0.71073","MoKα","","0.0472","0.0343","","","0.0783","0.0862","","","","","","1.02","","","","has coordinates,has disorder","301861","2025-08-22","11:12:37",""
"7156084","11.476","0.0007","10.3255","0.0009","12.5157","0.0012","90","","95.523","0.008","90","","1476.2","0.2","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H19 Cl F3 N3 -","- C26 H19 Cl F3 N3 -","- C52 H38 Cl2 F6 N6 -","2","1","","Rahman, Abdul; Xie, En; Lin, Xufeng","Organocatalytic asymmetric synthesis of benzazepinoindole derivatives with trifluoromethylated quaternary stereocenters by chiral phosphoric acid catalysts.","Organic & biomolecular chemistry","2018","16","8","1367","1374","10.1039/c8ob00055g","","","0.71073","MoKα","","0.0741","0.047","","","0.0917","0.1035","","","","","","0.939","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156085","7.424","0.0004","8.7348","0.0005","10.9347","0.0006","87.855","0.001","80.444","0.001","88.215","0.001","698.53","0.07","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C32 H40 O8 -","2","1","","Peter, Clovis; Geoffroy, Philippe; Miesch, Michel","Intramolecular Morita-Baylis-Hillman reaction as a strategy for the construction of tricyclic sesquiterpene cores.","Organic & biomolecular chemistry","2018","16","8","1381","1389","10.1039/c7ob03124f","","","0.71073","MoKα","","0.0458","0.0397","","","0.1079","0.1142","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156086","10.4839","0.0007","13.1593","0.001","21.3419","0.0015","90","","103.329","0.002","90","","2865","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C128 H160 O32 -","8","2","","Peter, Clovis; Geoffroy, Philippe; Miesch, Michel","Intramolecular Morita-Baylis-Hillman reaction as a strategy for the construction of tricyclic sesquiterpene cores.","Organic & biomolecular chemistry","2018","16","8","1381","1389","10.1039/c7ob03124f","","","0.71073","MoKα","","0.1224","0.0729","","","0.1384","0.16","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156087","7.6576","0.0013","10.1949","0.0014","10.3237","0.0015","115.042","0.004","92.445","0.005","108.132","0.004","679.55","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 Cl F N2 O -","- C16 H10 Cl F N2 O -","- C32 H20 Cl2 F2 N4 O2 -","2","1","","Zhang, Yingchao; Wen, Chunxia; Li, Jizhen","C5-Regioselective C-H fluorination of 8-aminoquinoline amides and sulfonamides with Selectfluor under metal-free conditions.","Organic & biomolecular chemistry","2018","16","11","1912","1920","10.1039/c7ob03059b","","","0.71073","MoKα","","0.0645","0.0461","","","0.1166","0.1329","","","","","","1.044","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156088","13.672","0.003","17.459","0.004","23.66","0.005","90","","92.451","0.003","90","","5642","2","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 N2 O2 -","- C32 H28 N2 O2 -","- C256 H224 N16 O16 -","8","2","","Wan, Ying; Wang, Hai-Qing; Xu, Meng-Meng; Mei, Guang-Jian; Shi, Feng","Direct C3-arylations of 2-indolylmethanols with tryptamines and tryptophols via an umpolung strategy.","Organic & biomolecular chemistry","2018","16","9","1536","1542","10.1039/c7ob03182c","","","0.71073","MoKα","","0.1154","0.0721","","","0.2058","0.2453","","","","","","1.013","","","","has coordinates,has disorder","230798","2020-10-21","18:00:00",""
"7156089","14.9636","0.0017","12.2439","0.0014","33.362","0.004","90","","96.5","0.002","90","","6073.1","1.2","273","2","273","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C36 H35 N3 O2 -","- C36 H35 N3 O2 -","- C288 H280 N24 O16 -","8","2","","Wan, Ying; Wang, Hai-Qing; Xu, Meng-Meng; Mei, Guang-Jian; Shi, Feng","Direct C3-arylations of 2-indolylmethanols with tryptamines and tryptophols via an umpolung strategy.","Organic & biomolecular chemistry","2018","16","9","1536","1542","10.1039/c7ob03182c","","","0.71073","MoKα","","0.125","0.048","","","0.083","0.1171","","","","","","0.969","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156090","7.8606","0.0002","8.5158","0.0002","18.6068","0.0004","90","","98.771","0.001","90","","1230.96","0.05","296","1","296","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 F3 N O2 -","- C13 H12 F3 N O2 -","- C52 H48 F12 N4 O8 -","4","1","","Achary, Raghavendra; Mathi, Gangadhar Rao; Kim, Seulgi; Hwang, Jong Yeon; Kim, Pilho","Grignard-mediated rearrangement of trifluoroacetyl from dihydroisoquinoline enamides to afford tertiary trifluoromethylcarbinols.","Organic & biomolecular chemistry","2018","16","9","1452","1456","10.1039/c7ob03079g","","","0.71073","MoKα","","0.0581","0.0439","","","0.1087","0.1199","","","","","","1.029","","","","has coordinates,has disorder","230799","2020-10-21","18:00:00",""
"7156091","6.9263","0.0001","8.7238","0.0001","22.5349","0.0004","90","","95.292","0.001","90","","1355.84","0.03","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 F3 N2 O -","- C15 H15 F3 N2 O -","- C60 H60 F12 N8 O4 -","4","1","","Achary, Raghavendra; Mathi, Gangadhar Rao; Kim, Seulgi; Hwang, Jong Yeon; Kim, Pilho","Grignard-mediated rearrangement of trifluoroacetyl from dihydroisoquinoline enamides to afford tertiary trifluoromethylcarbinols.","Organic & biomolecular chemistry","2018","16","9","1452","1456","10.1039/c7ob03079g","","","0.71073","MoKα","","0.0382","0.0347","","","0.0847","0.0876","","","","","","1.067","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156092","10.474","0.005","10.511","0.005","13.935","0.006","87.432","0.008","75.479","0.007","71.405","0.008","1406.6","1.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H28 N2 -","- C32 H28 N2 -","- C64 H56 N4 -","2","1","","Li, Xiao-Fang; Zhang, Xing-Guo; Hu, Bo-Lun; Zhang, Xiao-Hong","Palladium-catalyzed dimerization of N-aryl propargylamines for the synthesis of 3-vinylquinolines.","Organic & biomolecular chemistry","2018","16","10","1736","1744","10.1039/c8ob00133b","","","0.71073","MoKα","","0.1034","0.0806","","","0.2169","0.2391","","","","","","0.992","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156093","9.8683","0.0007","10.505","0.0008","10.8101","0.0008","110.935","0.002","95.718","0.002","105.727","0.002","983.13","0.13","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N O -","- C26 H21 N O -","- C52 H42 N2 O2 -","2","1","","Li, Xiao-Fang; Zhang, Xing-Guo; Hu, Bo-Lun; Zhang, Xiao-Hong","Palladium-catalyzed dimerization of N-aryl propargylamines for the synthesis of 3-vinylquinolines.","Organic & biomolecular chemistry","2018","16","10","1736","1744","10.1039/c8ob00133b","","","0.71073","MoKα","","0.0642","0.0442","","","0.1359","0.1514","","","","","","1.084","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156094","15.4619","0.0009","9.5378","0.0005","22.6171","0.0012","90","","92.5215","0.0013","90","","3332.2","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H38 N6 O6 S6 -","- C26 H38 N6 O6 S6 -","- C104 H152 N24 O24 S24 -","4","0.5","","Cholewiak, Agnieszka; Dobrzycki, Łukasz; Jurczak, Janusz; Ulatowski, Filip","Disulphide bond exchange inhibited by air - kinetic and thermodynamic products in a library of macrocyclic cysteine derivatives.","Organic & biomolecular chemistry","2018","16","14","2411","2420","10.1039/c7ob03123h","","","0.71073","MoKα","","0.0326","0.0275","","","0.0675","0.0702","","","","","","1.099","","","","has coordinates","230793","2020-10-21","18:00:00",""
"7156095","19.763","0.002","21.594","0.002","33.712","0.004","90","","90","","90","","14387","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C124.4 H156.62 N20 O25.4 S16.2 -","- C124.4 H156.62 N20 O25.4 S16.2 -","- C497.6 H626.48 N80 O101.6 S64.8 -","4","1","","Cholewiak, Agnieszka; Dobrzycki, Łukasz; Jurczak, Janusz; Ulatowski, Filip","Disulphide bond exchange inhibited by air - kinetic and thermodynamic products in a library of macrocyclic cysteine derivatives.","Organic & biomolecular chemistry","2018","16","14","2411","2420","10.1039/c7ob03123h","","","0.71073","MoKα","","0.1545","0.0964","","","0.2197","0.2599","","","","","","1.091","","","","has coordinates,has disorder","230793","2020-10-21","18:00:00",""
"7156096","12.0777","0.0004","21.0362","0.0006","14.3712","0.0005","90","","107.602","0.003","90","","3480.3","0.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H48 N4 O7 -","- C31 H47.5 N4 O7 -","- C124 H190 N16 O28 -","4","2","","Konda, Maruthi; Jadhav, Rohit G.; Maiti, Sayan; Mobin, Shaikh M.; Kauffmann, Brice; Das, Apurba K.","Understanding the conformational analysis of gababutin based hybrid peptides.","Organic & biomolecular chemistry","2018","16","10","1728","1735","10.1039/c8ob00035b","","","1.54178","CuKα","","0.1003","0.0828","","","0.2174","0.236","","","","","","1.059","","","","has coordinates","230594","2020-10-21","18:00:00",""
"7156097","10.958","0.002","16.851","0.003","18.872","0.004","90","","101.84","0.03","90","","3410.6","1.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H50 N4 O9 -","- C31 H50 N4 O9 -","- C124 H200 N16 O36 -","4","2","","Konda, Maruthi; Jadhav, Rohit G.; Maiti, Sayan; Mobin, Shaikh M.; Kauffmann, Brice; Das, Apurba K.","Understanding the conformational analysis of gababutin based hybrid peptides.","Organic & biomolecular chemistry","2018","16","10","1728","1735","10.1039/c8ob00035b","","","1.54178","CuKα","","0.0367","0.0363","","","0.0962","0.0964","","","","","","1.045","","","","has coordinates,has disorder","301861","2025-08-22","11:12:37",""
"7156098","20.8114","0.0001","12.8324","0.0001","23.6124","0.0002","90","","100.846","0.001","90","","6193.29","0.08","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C112 H199 N16 O28 -","- C112 H199 N16 O28 -","- C224 H398 N32 O56 -","2","1","","Konda, Maruthi; Jadhav, Rohit G.; Maiti, Sayan; Mobin, Shaikh M.; Kauffmann, Brice; Das, Apurba K.","Understanding the conformational analysis of gababutin based hybrid peptides.","Organic & biomolecular chemistry","2018","16","10","1728","1735","10.1039/c8ob00035b","","","1.54178","CuKα","","0.0803","0.08","","","0.2351","0.2355","","","","","","1.064","","","","has coordinates,has disorder","230594","2020-10-21","18:00:00",""
"7156099","7.6656","0.0016","19.475","0.004","10.707","0.002","90","","93.755","0.004","90","","1595","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O4 S -","- C17 H14 N2 O4 S -","- C68 H56 N8 O16 S4 -","4","1","","Zeng, Fanxun; Zhang, Letian; Shao, Xusheng; Li, Zhong; Xu, Xiaoyong","Catalyst-free synthesis of thiazolidines via sequential hydrolysis/rearrangement reactions of 5-arylidenethiazolidin-4-ones at room temperature.","Organic & biomolecular chemistry","2018","16","11","1932","1938","10.1039/c7ob02924a","","","0.71073","MoKα","","0.0607","0.0483","","","0.1196","0.1268","","","","","","1.053","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156100","8.576","0.0001","9.059","0.0001","16.3","0.0003","81.049","0.001","89.263","0.001","78.661","0.001","1226.3","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H22 Co2 O9 -","- C25 H22 Co2 O9 -","- C50 H44 Co4 O18 -","2","1","","Montaña, Ángel M; Ponzano, Stefano; Sanasi, Maria-Filomena; Kociok-Köhn, Gabriele","Synthesis of the 10-oxabicyclo[5.2.1]decane framework present in bioactive natural products.","Organic & biomolecular chemistry","2018","16","9","1557","1580","10.1039/c8ob00194d","","","0.71073","MoKα","","0.0448","0.0305","","","0.0712","0.0763","","","","","","1.012","","","","has coordinates","230802","2020-10-21","18:00:00",""
"7156101","8.1795","0.0014","11.924","0.007","14.235","0.002","108.105","0.0016","96.245","0.0016","108.712","0.0015","1215.9","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H23 N O2 -","- C32 H23 N O2 -","- C64 H46 N2 O4 -","2","1","","Wang, Wenhui; Sun, Jinwei; Hu, Huayou; Liu, Yun","Copper-catalyzed aerobic cyclizations of tetrahydroisoquinolines with bromoketones and alkenes for the synthesis of 5,6-dihydropyrrolo[2,1-a]isoquinolines.","Organic & biomolecular chemistry","2018","16","10","1651","1658","10.1039/c7ob03048g","","","0.71073","MoKα","","0.0886","0.0517","","","0.1056","0.1145","","","","","","0.991","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156102","8.8729","0.0011","9.3458","0.0012","10.6991","0.0014","68.971","0.001","88.64","0.001","69.793","0.001","772.05","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H11 Cl N2 O2 -","- C20 H11 Cl N2 O2 -","- C40 H22 Cl2 N4 O4 -","2","1","","Zhang, Yan; Liu, Jian-Quan; Wang, Xiang-Shan","An efficient synthesis of 16H-dibenzo[2,3:6,7][1,4]oxazepino[5,4-b]quinazolin-16-ones via an Ullmann reaction catalyzed by CuI.","Organic & biomolecular chemistry","2018","16","10","1679","1685","10.1039/c8ob00005k","","","0.71073","MoKα","","0.0432","0.0356","","","0.0913","0.0961","","","","","","1.048","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156103","9.584","0.005","9.866","0.004","11.366","0.006","80.384","0.009","84.059","0.012","66.028","0.01","967.5","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H13 Cl F3 N3 O -","- C23 H13 Cl F3 N3 O -","- C46 H26 Cl2 F6 N6 O2 -","2","1","","Donthiboina, Kavitha; Namballa, Hari Krishna; Shaik, Siddiq Pasha; Nanubolu, Jagadeesh Babu; Shankaraiah, Nagula; Kamal, Ahmed","Iodine promoted dual oxidative C(sp<sup>3</sup>)-H amination of 2-methyl-3-arylquinazolin-4(3H)-ones: a facile route to 1,4-diarylimidazo[1,5-a]quinazolin-5(4H)-ones.","Organic & biomolecular chemistry","2018","16","10","1720","1727","10.1039/c7ob02677c","","","0.71073","MoKα","","0.0515","0.0424","","","0.1173","0.1245","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156104","4.7875","0.0004","10.5072","0.0009","14.2488","0.0015","71.68","0.009","88.646","0.008","76.869","0.007","661.76","0.11","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H8 F3 N O3 S -","- C13 H8 F3 N O3 S -","- C26 H16 F6 N2 O6 S2 -","2","1","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","1.54184","CuKα","","0.1408","0.118","","","0.2534","0.2653","","","","","","1.334","","","","has coordinates","230590","2020-10-21","18:00:00",""
"7156105","12.2391","0.0003","8.0497","0.0002","13.6415","0.0004","90","","91.602","0.002","90","","1343.45","0.06","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H7 F3 O4 S -","- C15 H7 F3 O4 S -","- C60 H28 F12 O16 S4 -","4","1","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","1.54184","CuKα","","0.0743","0.066","","","0.1733","0.1861","","","","","","1.066","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156106","9.0948","0.0007","20.0144","0.0016","7.8362","0.0006","90","","106.353","0.009","90","","1368.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 O3 S -","- C17 H12 O3 S -","- C68 H48 O12 S4 -","4","1","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","0.71073","MoKα","","0.0754","0.0546","","","0.1575","0.1666","","","","","","0.972","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156107","8.0423","0.0004","8.0926","0.0005","9.4378","0.0006","68.147","0.006","84.221","0.005","72.377","0.005","543.3","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H5 F3 O3 S -","- C11 H5 F3 O3 S -","- C22 H10 F6 O6 S2 -","2","1","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","0.71073","MoKα","","0.0503","0.0392","","","0.0973","0.1055","","","","","","1.04","","","","has coordinates,has disorder","301861","2025-08-22","11:12:37",""
"7156108","7.8595","0.0005","7.9836","0.0005","12.2941","0.0007","89.939","0.005","74.827","0.005","68.477","0.006","688.73","0.08","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H9 Br O2 S -","- C16 H9 Br O2 S -","- C32 H18 Br2 O4 S2 -","2","1","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","0.71073","MoKα","","0.0889","0.0426","","","0.0711","0.0846","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156109","4.6767","0.0001","19.3071","0.0003","14.5648","0.0002","90","","97.949","0.001","90","","1302.47","0.04","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H4 F6 O2 S2 -","- C12 H4 F6 O2 S2 -","- C48 H16 F24 O8 S8 -","4","1","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","1.54184","CuKα","","0.042","0.0347","","","0.0874","0.0937","","","","","","1.049","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156110","7.4794","0.0007","7.9785","0.0008","11.9788","0.001","95.823","0.008","102.31","0.008","113.691","0.009","625.39","0.12","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H7 F3 O2 S -","- C15 H7 F3 O2 S -","- C30 H14 F6 O4 S2 -","2","1","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","0.71073","MoKα","","0.0589","0.0393","","","0.0892","0.1","","","","","","1.069","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156111","14.5769","0.0004","11.1576","0.0002","31.0437","0.0007","90","","102.048","0.002","90","","4937.8","0.2","200","2","200","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C13 H9 F3 O3 S -","- C13 H9 F3 O3 S -","- C208 H144 F48 O48 S16 -","16","2","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","1.54184","CuKα","","0.0933","0.083","","","0.2014","0.2103","","","","","","1.026","","","","has coordinates","230590","2020-10-21","18:00:00",""
"7156112","7.2227","0.0006","8.4064","0.0007","12.3348","0.0009","75.046","0.007","76.516","0.007","66.783","0.008","657.64","0.1","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H12 O2 S -","- C17 H12 O2 S -","- C34 H24 O4 S2 -","2","1","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","0.71073","MoKα","","0.0562","0.0386","","","0.0848","0.0939","","","","","","1.036","","","","has coordinates","301861","2025-08-22","11:12:37",""
"7156113","19.2151","0.0006","7.8797","0.0002","7.1525","0.0002","90","","97.718","0.003","90","","1073.14","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H5 F3 O2 S -","- C11 H5 F3 O2 S -","- C44 H20 F12 O8 S4 -","4","1","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","0.71073","MoKα","","0.0726","0.0658","","","0.1802","0.1866","","","","","","1.059","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156114","14.1466","0.0018","12.4232","0.0017","18.979","0.002","90","","90","","90","","3335.5","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H14 O4 S -","- C21 H14 O4 S -","- C168 H112 O32 S8 -","8","1","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","0.71073","MoKα","","0.0791","0.0445","","","0.0958","0.1137","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156115","17.823","0.002","6.9975","0.0007","27.834","0.004","90","","100.799","0.005","90","","3409.9","0.7","150","","150","","","","","","","","synthesis as described","3","C 1 2 1","C 2y","5","","","","- C20 H20 O5 -","- C20 H20 O5 -","- C160 H160 O40 -","8","2","","Henrion, S.; Macé, A; Vallejos, M. M.; Roisnel, T.; Carboni, B.; Villalgordo, J. M.; Carreaux, F.","Asymmetric synthesis of trans-4,5-disubstituted γ-butyrolactones involving a key allylboration step. First access to (-)-nicotlactone B and (-)-galbacin.","Organic & biomolecular chemistry","2018","16","10","1672","1678","10.1039/c8ob00101d","","x-ray","0.71073","MoKα","","0.0723","0.0468","","","0.101","0.1107","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156116","7.5946","0.0003","13.4938","0.0006","15.8269","0.0007","90","","90","","90","","1621.94","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Cl N O5 -","- C17 H14 Cl N O5 -","- C68 H56 Cl4 N4 O20 -","4","1","","Maity, Rajendra; Pan, Subhas Chandra","Organocatalytic asymmetric Michael/hemiacetalization/acyl transfer reaction of α-nitroketones with o-hydroxycinnamaldehydes: synthesis of 2,4-disubstituted chromans.","Organic & biomolecular chemistry","2018","16","9","1598","1608","10.1039/c8ob00078f","","","0.71073","MoKα","","0.0577","0.0433","","","0.1073","0.1193","","","","","","0.991","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156117","21.1","0.0011","23.1109","0.0012","23.201","0.0012","90","","112.784","0.002","90","","10430.9","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H56 N4 O12 -","- C55 H56 N4 O12 -","- C440 H448 N32 O96 -","8","2","","Yang, Ya-Fen; Hu, Wei-Bo; Shi, Lei; Li, Sheng-Gang; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","Guest-regulated chirality switching of planar chiral pseudo[1]catenanes.","Organic & biomolecular chemistry","2018","16","12","2028","2032","10.1039/c8ob00156a","","","0.71073","MoKα","","0.0962","0.0532","","","0.1427","0.1586","","","","","","1.069","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156118","11.9894","0.0006","21.2887","0.001","21.7173","0.0011","90","","93.3","0.002","90","","5533.9","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C61 H68 N4 O12 -","- C61 H68 N4 O12 -","- C244 H272 N16 O48 -","4","1","","Yang, Ya-Fen; Hu, Wei-Bo; Shi, Lei; Li, Sheng-Gang; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","Guest-regulated chirality switching of planar chiral pseudo[1]catenanes.","Organic & biomolecular chemistry","2018","16","12","2028","2032","10.1039/c8ob00156a","","","0.71073","MoKα","","0.1511","0.0521","","","0.1071","0.1492","","","","","","0.995","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156119","20.9082","0.0003","23.7424","0.0004","23.9838","0.0004","90","","90","","90","","11905.8","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C63 H68 N6 O12 -","- C63 H68 N6 O12 -","- C504 H544 N48 O96 -","8","1","","Yang, Ya-Fen; Hu, Wei-Bo; Shi, Lei; Li, Sheng-Gang; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","Guest-regulated chirality switching of planar chiral pseudo[1]catenanes.","Organic & biomolecular chemistry","2018","16","12","2028","2032","10.1039/c8ob00156a","","x-ray","1.54184","CuKα","","0.1236","0.1012","","","0.3309","0.3593","","","","","","1.436","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156120","12.346","0.0005","19.5371","0.0007","22.8661","0.0009","106.561","0.001","102.458","0.001","97.147","0.001","5059.3","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H60 N4 O12 -","- C57 H60 N4 O12 -","- C228 H240 N16 O48 -","4","2","","Yang, Ya-Fen; Hu, Wei-Bo; Shi, Lei; Li, Sheng-Gang; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","Guest-regulated chirality switching of planar chiral pseudo[1]catenanes.","Organic & biomolecular chemistry","2018","16","12","2028","2032","10.1039/c8ob00156a","","","0.71073","MoKα","","0.1031","0.058","","","0.1453","0.1776","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156121","11.0365","0.0007","16.7007","0.001","17.2058","0.001","93.872","0.002","92.106","0.002","108.051","0.002","3002.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H68 Cl4 N4 O12 -","- C61 H68 Cl4 N4 O12 -","- C122 H136 Cl8 N8 O24 -","2","1","","Yang, Ya-Fen; Hu, Wei-Bo; Shi, Lei; Li, Sheng-Gang; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","Guest-regulated chirality switching of planar chiral pseudo[1]catenanes.","Organic & biomolecular chemistry","2018","16","12","2028","2032","10.1039/c8ob00156a","","","0.71073","MoKα","","0.1276","0.0896","","","0.2567","0.2999","","","","","","1.018","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156122","11.5406","0.0001","19.4516","0.0002","23.9649","0.0002","90","","101.455","0.001","90","","5272.56","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C59 H64 N4 O12 -","- C59 H64 N4 O12 -","- C236 H256 N16 O48 -","4","1","","Yang, Ya-Fen; Hu, Wei-Bo; Shi, Lei; Li, Sheng-Gang; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","Guest-regulated chirality switching of planar chiral pseudo[1]catenanes.","Organic & biomolecular chemistry","2018","16","12","2028","2032","10.1039/c8ob00156a","","x-ray","1.54184","CuKα","","0.0522","0.0436","","","0.1176","0.1226","","","","","","1.042","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156123","13.1925","0.0012","13.3019","0.0012","7.7183","0.0007","90","","100.757","0.001","90","","1330.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 F3 O4 S -","- C13 H9 F3 O4 S -","- C52 H36 F12 O16 S4 -","4","1","","Wang, Yajun; Wu, Rui; Zhao, Shijun; Quan, Zhengjun; Su, Yingpeng; Huo, Congde","Air promoted annulation of thiophenols with alkynes leading to benzothiophenes.","Organic & biomolecular chemistry","2018","16","10","1667","1671","10.1039/c8ob00010g","","","0.71073","MoKα","","0.0496","0.0448","","","0.1386","0.1462","","","","","","1","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156124","8.16871","0.00017","8.25025","0.00017","23.3395","0.0004","90","","90","","90","","1572.94","0.05","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O7 -","- C17 H22 O7 -","- C68 H88 O28 -","4","1","","Zhang, Zhan-Xin; Wu, Pei-Qian; Li, Hui-Hong; Qi, Feng-Ming; Fei, Dong-Qing; Hu, Qiao-Ling; Liu, Ying-Hong; Huang, Xiao-Ling","Norcrassin A, a novel C<sub>16</sub> tetranorditerpenoid, and bicrotonol A, an unusual dimeric labdane-type diterpenoid, from the roots of Croton crassifolius.","Organic & biomolecular chemistry","2018","16","10","1745","1750","10.1039/c7ob02991h","","","1.54184","CuKα","","0.0408","0.0405","","","0.108","0.1086","","","","","","1.049","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156125","23.0565","0.001","6.6594","0.0002","26.3805","0.0011","90","","117.81","0.006","90","","3582.7","0.3","173","0.1","173","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C40 H68 O4 -","- C40 H68 O4 -","- C160 H272 O16 -","4","1","","Zhang, Zhan-Xin; Wu, Pei-Qian; Li, Hui-Hong; Qi, Feng-Ming; Fei, Dong-Qing; Hu, Qiao-Ling; Liu, Ying-Hong; Huang, Xiao-Ling","Norcrassin A, a novel C<sub>16</sub> tetranorditerpenoid, and bicrotonol A, an unusual dimeric labdane-type diterpenoid, from the roots of Croton crassifolius.","Organic & biomolecular chemistry","2018","16","10","1745","1750","10.1039/c7ob02991h","","","1.54184","CuKα","","0.0658","0.056","","","0.1325","0.1416","","","","","","1.002","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156126","10.4093","0.0012","6.2017","0.0007","15.4242","0.0017","90","","92.398","0.002","90","","994.84","0.19","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H22 N2 O3 -","- C26 H22 N2 O3 -","- C52 H44 N4 O6 -","2","1","","Zhu, Yanshuo; Guo, Jia; Jin, Shaojing; Guo, Jiaomei; Bai, Xuguan; Wang, Qilin; Bu, Zhanwei","Construction of bridged cyclic N,O-ketal spirooxindoles through a Michael addition/N,O-ketalization sequence.","Organic & biomolecular chemistry","2018","16","10","1751","1759","10.1039/c8ob00306h","","","0.71073","MoKα","","0.0366","0.0345","","","0.0878","0.0895","","","","","","1.002","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156127","11.3575","0.0004","12.9479","0.0006","15.7889","0.0005","81.909","0.003","88.938","0.003","72.873","0.003","2196.15","0.15","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C93 H88 N8 O19 S4 -","- C93 H88 N8 O19 S4 -","- C93 H88 N8 O19 S4 -","1","1","","Wang, Zhen-Hua; You, Yong; Chen, Yong-Zheng; Xu, Xiao-Ying; Yuan, Wei-Cheng","An asymmetric organocatalytic vinylogous Mannich reaction of 3-methyl-5-arylfuran-2(3H)-ones with N-(2-pyridinesulfonyl) imines: enantioselective synthesis of δ-amino γ,γ-disubstituted butenolides.","Organic & biomolecular chemistry","2018","16","10","1636","1640","10.1039/c7ob03117c","","x-ray","1.54184","CuKα","","0.0528","0.0458","","","0.1139","0.1208","","","","","","1.026","","","","has coordinates,has disorder","301861","2025-08-22","11:12:38",""
"7156128","8.7419","0.0006","10.7719","0.0007","10.9487","0.0007","65.802","0.007","70.156","0.006","75.68","0.006","877.51","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 3'-(4- methoxyphenyl)-1',2-dimethyl-1'H,2H-3,4'-bipyrazole-5-carboxylate","","- C18 H20 N4 O3 -","- C18 H20 N4 O3 -","- C36 H40 N8 O6 -","2","1","","Obydennov, D. L.; Khammatova, L. R.; Eltsov, O. S.; Sosnovskikh, V. Y.","A chemo- and regiocontrolled approach to bipyrazoles and pyridones via the reaction of ethyl 5-acyl-4-pyrone-2-carboxylates with hydrazines.","Organic & biomolecular chemistry","2018","16","10","1692","1707","10.1039/c7ob02725g","","","0.71073","MoKα","","0.0856","0.0536","","","0.1565","0.1901","","","","","","1.009","","","","has coordinates,has disorder","301861","2025-08-22","11:12:38",""
"7156129","8.521","0.005","10.998","0.005","23.489","0.01","90","","93.24","0.04","90","","2197.7","1.9","295","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C27 H22 N4 O2 -","- C27 H22 N4 O2 -","- C108 H88 N16 O8 -","4","2","","Obydennov, D. L.; Khammatova, L. R.; Eltsov, O. S.; Sosnovskikh, V. Y.","A chemo- and regiocontrolled approach to bipyrazoles and pyridones via the reaction of ethyl 5-acyl-4-pyrone-2-carboxylates with hydrazines.","Organic & biomolecular chemistry","2018","16","10","1692","1707","10.1039/c7ob02725g","","","1.54184","CuKα","","0.0563","0.045","","","0.1162","0.125","","","","","","1.006","","","","has coordinates,has disorder","230587","2020-10-21","18:00:00",""
"7156130","8.803","0.006","10.863","0.006","12.961","0.011","84.4","0.06","71.46","0.07","80.99","0.05","1159.1","1.5","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 5'-(4-chlorophenyl)-1',2-diphenyl-1'H,2H-3,4'-bipyrazole-5-carboxylate","","- C27 H21 Cl N4 O2 -","- C27 H21 Cl N4 O2 -","- C54 H42 Cl2 N8 O4 -","2","1","","Obydennov, D. L.; Khammatova, L. R.; Eltsov, O. S.; Sosnovskikh, V. Y.","A chemo- and regiocontrolled approach to bipyrazoles and pyridones via the reaction of ethyl 5-acyl-4-pyrone-2-carboxylates with hydrazines.","Organic & biomolecular chemistry","2018","16","10","1692","1707","10.1039/c7ob02725g","","","1.54184","CuKα","","0.0599","0.0496","","","0.1287","0.1367","","","","","","1","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156131","8.9797","0.0002","17.5384","0.0003","9.3882","0.0002","90","","108.488","0.002","90","","1402.24","0.05","292","2","292","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 N3 -","- C18 H13 N3 -","- C72 H52 N12 -","4","1","","Guan, Qianqian; Sun, Qi; Wen, Lixian; Zha, Zhenggen; Yang, Yu; Wang, Zhiyong","The synthesis of benzimidazoles via a recycled palladium catalysed hydrogen transfer under mild conditions.","Organic & biomolecular chemistry","2018","16","12","2088","2096","10.1039/c8ob00323h","","","1.54184","CuKα","","0.0403","0.036","","","0.0983","0.1028","","","","","","1.036","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156132","13.917","0.003","10.417","0.002","16.611","0.004","90","","103.506","0.004","90","","2341.6","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 Br N O Se -","- C27 H20 Br N O Se -","- C108 H80 Br4 N4 O4 Se4 -","4","1","","Li, Xiwang; He, Pei; Zhou, Hai-Bing; Dong, Chune","One-step pathway to selenoisobenzofuran-1(3H)-imine derivatives through highly selective selenocyclization of olefinic amides with benzeneselenyl chloride.","Organic & biomolecular chemistry","2018","16","12","2150","2155","10.1039/c8ob00179k","","","0.71073","MoKα","","0.1138","0.0522","","","0.1046","0.1282","","","","","","0.984","","","","has coordinates,has disorder","301861","2025-08-22","11:12:38",""
"7156133","5.77529","0.00012","22.1018","0.0005","14.0999","0.0003","90","","101.182","0.0019","90","","1765.61","0.07","99.9","0.3","99.9","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 Cl F3 N3 O2 -","- C19 H13 Cl F3 N3 O2 -","- C76 H52 Cl4 F12 N12 O8 -","4","1","","Lim, Bumhee; Park, Seunggun; Park, Jae Hyun; Gam, Jongsik; Kim, Sanghee; Yang, Jung Woon; Lee, Jeeyeon","A metal-free and mild approach to 1,3,4-oxadiazol-2(3H)-ones via oxidative C-C bond cleavage using molecular oxygen.","Organic & biomolecular chemistry","2018","16","12","2105","2113","10.1039/c7ob03188b","","x-ray","1.54184","CuKα","","0.0647","0.0605","","","0.1087","0.111","","","","","","1.118","","","","has coordinates,has disorder","301861","2025-08-22","11:12:38",""
"7156134","5.781","0.0002","8.5176","0.0003","11.7466","0.0004","102.453","0.003","90.5","0.002","98.113","0.002","558.69","0.03","295.6","0.2","295.6","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Cl N3 O2 -","- C11 H8 Cl N3 O2 -","- C22 H16 Cl2 N6 O4 -","2","1","","Lim, Bumhee; Park, Seunggun; Park, Jae Hyun; Gam, Jongsik; Kim, Sanghee; Yang, Jung Woon; Lee, Jeeyeon","A metal-free and mild approach to 1,3,4-oxadiazol-2(3H)-ones via oxidative C-C bond cleavage using molecular oxygen.","Organic & biomolecular chemistry","2018","16","12","2105","2113","10.1039/c7ob03188b","","x-ray","1.54184","CuKα","","0.0366","0.0345","","","0.0966","0.0989","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156135","16.772","0.003","9.0637","0.0015","25.832","0.004","90","","90","","90","","3926.9","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H29 N3 O3 -","- C21 H29 N3 O3 -","- C168 H232 N24 O24 -","8","1","","Wang, Hui; Fang, Bin; Zhou, Le; Li, Di; Kong, Lin; Uvdal, Kajsa; Hu, Zhangjun","A reversible and highly selective two-photon fluorescent ""on-off-on"" probe for biological Cu<sup>2+</sup> detection.","Organic & biomolecular chemistry","2018","16","13","2264","2268","10.1039/c8ob00257f","","","0.71073","MoKα","","0.0473","0.0365","","","0.0965","0.1026","","","","","","1.012","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156136","5.5524","0.0017","7.337","0.002","9.871","0.003","90","","91.581","0.007","90","","402","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H11 N3 O -","- C7 H11 N3 O -","- C14 H22 N6 O2 -","2","1","","Halder, Joydev; Das, Debabrata; Nanda, Samik","A distinctive transformation based diversity oriented synthesis of small ring carbocycles and heterocycles from biocatalytically derived enantiopure α-substituted-β-hydroxyesters.","Organic & biomolecular chemistry","2018","16","14","2549","2575","10.1039/C8OB00233A","","","0.71073","MoKα","","0.0478","0.0359","","","0.1198","0.1336","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156137","10.523","0.005","10.046","0.005","11.683","0.005","90","0.005","103.959","0.005","90","0.005","1198.6","1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H32 O3 Si -","- C26 H32 O3 Si -","- C52 H64 O6 Si2 -","2","1","","Halder, Joydev; Das, Debabrata; Nanda, Samik","A distinctive transformation based diversity oriented synthesis of small ring carbocycles and heterocycles from biocatalytically derived enantiopure α-substituted-β-hydroxyesters.","Organic & biomolecular chemistry","2018","16","14","2549","2575","10.1039/C8OB00233A","","","0.71073","MoKα","","0.0406","0.0352","","","0.0878","0.0917","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156138","10.558","0.003","39.473","0.012","11.458","0.004","90","","90","","90","","4775","3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H33 N3 O2 Si -","- C25 H33 N3 O2 Si -","- C200 H264 N24 O16 Si8 -","8","4","","Halder, Joydev; Das, Debabrata; Nanda, Samik","A distinctive transformation based diversity oriented synthesis of small ring carbocycles and heterocycles from biocatalytically derived enantiopure α-substituted-β-hydroxyesters.","Organic & biomolecular chemistry","2018","16","14","2549","2575","10.1039/C8OB00233A","","","0.71073","MoKα","","0.158","0.1078","","","0.2381","0.2781","","","","","","1.052","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156139","8.2816","0.0014","11.7445","0.0019","25.888","0.004","90","","90","","90","","2518","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 O3 Si -","- C27 H34 O3 Si -","- C108 H136 O12 Si4 -","4","1","","Halder, Joydev; Das, Debabrata; Nanda, Samik","A distinctive transformation based diversity oriented synthesis of small ring carbocycles and heterocycles from biocatalytically derived enantiopure α-substituted-β-hydroxyesters.","Organic & biomolecular chemistry","2018","16","14","2549","2575","10.1039/C8OB00233A","","","0.71073","MoKα","","0.116","0.0568","","","0.1161","0.1396","","","","","","0.981","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156140","8.5588","0.0006","6.9137","0.0005","15.0132","0.0011","90","","99.591","0.002","90","","875.96","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H29 Cl O -","- C20 H29 Cl O -","- C40 H58 Cl2 O2 -","2","1","","Kratena, Nicolas; Pilz, Sarah M.; Weil, Matthias; Gmeiner, Günter; Enev, Valentin S.; Gärtner, Peter","Synthesis and structural elucidation of a dehydrochloromethyltestosterone metabolite.","Organic & biomolecular chemistry","2018","16","14","2508","2521","10.1039/C8OB00122G","","","0.71073","MoKα","","0.0487","0.0364","","","0.0829","0.0885","","","","","","1.019","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156141","7.5312","0.0003","20.9084","0.0008","21.2244","0.0009","90","","90","","90","","3342.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H29 Cl O2 -","- C19 H29 Cl O2 -","- C152 H232 Cl8 O16 -","8","2","","Kratena, Nicolas; Pilz, Sarah M.; Weil, Matthias; Gmeiner, Günter; Enev, Valentin S.; Gärtner, Peter","Synthesis and structural elucidation of a dehydrochloromethyltestosterone metabolite.","Organic & biomolecular chemistry","2018","16","14","2508","2521","10.1039/C8OB00122G","","","0.71073","MoKα","","0.0282","0.0265","","","0.0747","0.076","","","","","","1.199","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156142","13.2696","0.0016","7.0208","0.0008","28.171","0.003","90","","97.17","0.002","90","","2604","0.5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H45 Cl O2 Si -","- C26 H45 Cl O2 Si -","- C104 H180 Cl4 O8 Si4 -","4","1","","Kratena, Nicolas; Pilz, Sarah M.; Weil, Matthias; Gmeiner, Günter; Enev, Valentin S.; Gärtner, Peter","Synthesis and structural elucidation of a dehydrochloromethyltestosterone metabolite.","Organic & biomolecular chemistry","2018","16","14","2508","2521","10.1039/C8OB00122G","","","0.71073","MoKα","","0.0599","0.0576","","","0.1426","0.1434","","","","","","1.275","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156143","7.1254","0.0005","11.6665","0.0008","10.8645","0.0008","90","","103.497","0.002","90","","878.21","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H29 Cl O2 -","- C19 H29 Cl O2 -","- C38 H58 Cl2 O4 -","2","1","","Kratena, Nicolas; Pilz, Sarah M.; Weil, Matthias; Gmeiner, Günter; Enev, Valentin S.; Gärtner, Peter","Synthesis and structural elucidation of a dehydrochloromethyltestosterone metabolite.","Organic & biomolecular chemistry","2018","16","14","2508","2521","10.1039/C8OB00122G","","","0.71073","MoKα","","0.0565","0.0426","","","0.0935","0.1013","","","","","","0.988","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156144","7.4333","0.0017","13.538","0.003","16.411","0.004","90","","90","","90","","1651.5","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 Cl O2 -","- C19 H27 Cl O2 -","- C76 H108 Cl4 O8 -","4","1","","Kratena, Nicolas; Pilz, Sarah M.; Weil, Matthias; Gmeiner, Günter; Enev, Valentin S.; Gärtner, Peter","Synthesis and structural elucidation of a dehydrochloromethyltestosterone metabolite.","Organic & biomolecular chemistry","2018","16","14","2508","2521","10.1039/C8OB00122G","","","0.71073","MoKα","","0.0316","0.0284","","","0.0711","0.0731","","","","","","1.045","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156145","11.149","0.002","11.921","0.002","18.456","0.004","90","","90","","90","","2452.9","0.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H25 O2 P -","- C33 H25 O2 P -","- C132 H100 O8 P4 -","4","1","","Yin, Yao; Weng, Wei-Zhi; Sun, Jian-Guo; Zhang, Bo","Eosin Y-catalyzed, visible-light-promoted carbophosphinylation of allylic alcohols via a radical neophyl rearrangement.","Organic & biomolecular chemistry","2018","16","13","2356","2361","10.1039/C8OB00231B","","","0.71073","MoKα","","0.0505","0.0459","","","0.1252","0.1304","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156146","11.586","0.003","15.822","0.003","8.7845","0.0018","90","","97.997","0.008","90","","1594.7","0.6","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O -","- C20 H18 N2 O -","- C80 H72 N8 O4 -","4","1","","Wang, Ting; Qing, Xushun; Dai, Chenlu; Su, Zhenjie; Wang, Cunde","Regioselective construction of 1,3-diaryl tetrahydroindazolones via the three-component reaction of 1,3-cyclohexanediones, β-nitrostyrenes and arylhydrazines.","Organic & biomolecular chemistry","2018","16","14","2456","2463","10.1039/C8OB00304A","","","0.71073","MoKα","","0.1739","0.0683","","","0.1135","0.1401","","","","","","1.048","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156147","12.836","0.007","8.234","0.003","13.79","0.01","90","","117.679","0.017","90","","1290.7","1.3","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C60 H60 N4 O12 -","4","1","","Wang, Ting; Qing, Xushun; Dai, Chenlu; Su, Zhenjie; Wang, Cunde","Regioselective construction of 1,3-diaryl tetrahydroindazolones via the three-component reaction of 1,3-cyclohexanediones, β-nitrostyrenes and arylhydrazines.","Organic & biomolecular chemistry","2018","16","14","2456","2463","10.1039/C8OB00304A","","","0.71073","MoKα","","0.0896","0.0595","","","0.1671","0.1884","","","","","","1.082","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156148","31.267","0.008","8.132","0.003","22.702","0.006","90","","90","","90","","5772","3","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H14 N2 O S -","- C17 H14 N2 O S -","- C272 H224 N32 O16 S16 -","16","2","","Wang, Ting; Qing, Xushun; Dai, Chenlu; Su, Zhenjie; Wang, Cunde","Regioselective construction of 1,3-diaryl tetrahydroindazolones via the three-component reaction of 1,3-cyclohexanediones, β-nitrostyrenes and arylhydrazines.","Organic & biomolecular chemistry","2018","16","14","2456","2463","10.1039/C8OB00304A","","","0.71073","MoKα","","0.2036","0.0799","","","0.1818","0.2381","","","","","","1.036","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156149","11.9068","0.0006","10.5151","0.0005","18.2449","0.0008","90","","108.882","0.001","90","","2161.36","0.18","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Dimethyl [(2,2-diphenyl-3,4-dihydro-2H-chromen-4-yl)methyl]malonate","","- C27 H26 O5 -","- C27 H26 O5 -","- C108 H104 O20 -","4","1","","Ivanov, Konstantin L.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Donor-acceptor cyclopropanes as ortho-quinone methide equivalents in formal (4 + 2)-cycloaddition to alkenes.","Organic & biomolecular chemistry","2018","16","21","3897","3909","10.1039/c8ob00377g","","","0.71073","MoKα","","0.0438","0.0389","","","0.1026","0.1065","","","","","","1.042","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156150","8.0373","0.0004","17.6384","0.0009","10.4852","0.0005","90","","97.079","0.001","90","","1475.1","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dimethyl 2-[5-bromo-2-(methoxymethoxy)phenyl]cyclopropane-1,1-dicarboxylate","","- C14 H15 Br O6 -","- C14 H15 Br O6 -","- C56 H60 Br4 O24 -","4","1","","Ivanov, Konstantin L.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Donor-acceptor cyclopropanes as ortho-quinone methide equivalents in formal (4 + 2)-cycloaddition to alkenes.","Organic & biomolecular chemistry","2018","16","21","3897","3909","10.1039/c8ob00377g","","","0.71073","MoKα","","0.0328","0.0255","","","0.0633","0.0662","","","","","","1.052","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156151","8.4387","0.0011","8.5555","0.0011","9.4816","0.0012","97.917","0.002","100.06","0.002","92.556","0.002","665.94","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Dimethyl 2-(5-bromo-2-hydroxyphenyl)cyclopropane-1,1-dicarboxylate","","- C13 H13 Br O5 -","- C13 H13 Br O5 -","- C26 H26 Br2 O10 -","2","1","","Ivanov, Konstantin L.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Donor-acceptor cyclopropanes as ortho-quinone methide equivalents in formal (4 + 2)-cycloaddition to alkenes.","Organic & biomolecular chemistry","2018","16","21","3897","3909","10.1039/c8ob00377g","","","0.71073","MoKα","","0.0337","0.0273","","","0.0643","0.067","","","","","","1.042","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156152","8.835","0.002","6.916","0.002","24.341","0.01","90","","90.48","0.03","90","","1487.3","0.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 2-[5-chloro-2-(methoxymethoxy)phenyl]cyclopropane-1,1-dicarboxylate","","- C15 H17 Cl O6 -","- C15 H17 Cl O6 -","- C60 H68 Cl4 O24 -","4","1","","Ivanov, Konstantin L.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Donor-acceptor cyclopropanes as ortho-quinone methide equivalents in formal (4 + 2)-cycloaddition to alkenes.","Organic & biomolecular chemistry","2018","16","21","3897","3909","10.1039/c8ob00377g","","","0.71073","MoKα","","0.0447","0.0314","","","0.0821","0.0886","","","","","","1.04","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156153","9.594","0.002","8.102","0.002","17.944","0.006","90","","104.5","0.02","90","","1350.4","0.6","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 2-(5-chloro-2-hydroxyphenyl)cyclopropane-1,1-dicarboxylate","","- C13 H13 Cl O5 -","- C13 H13 Cl O5 -","- C52 H52 Cl4 O20 -","4","1","","Ivanov, Konstantin L.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Donor-acceptor cyclopropanes as ortho-quinone methide equivalents in formal (4 + 2)-cycloaddition to alkenes.","Organic & biomolecular chemistry","2018","16","21","3897","3909","10.1039/c8ob00377g","","","0.71073","MoKα","","0.0878","0.0456","","","0.115","0.133","","","","","","1.025","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156154","9.6172","0.0005","18.6822","0.001","10.3451","0.0005","90","","109.39","0.001","90","","1753.28","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 2-[5-bromo-3-methoxy-2-(methoxymethoxy)phenyl]cyclopropane-1,1-dicarboxylate","","- C16 H19 Br O7 -","- C16 H19 Br O7 -","- C64 H76 Br4 O28 -","4","1","","Ivanov, Konstantin L.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Donor-acceptor cyclopropanes as ortho-quinone methide equivalents in formal (4 + 2)-cycloaddition to alkenes.","Organic & biomolecular chemistry","2018","16","21","3897","3909","10.1039/c8ob00377g","","","0.71073","MoKα","","0.0425","0.0338","","","0.0924","0.0969","","","","","","1.05","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156155","8.2614","0.0001","11.369","0.0002","10.8661","0.0002","90","","106.297","0.0004","90","","979.58","0.03","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H15 N3 O6 S -","- C21 H15 N3 O6 S -","- C42 H30 N6 O12 S2 -","2","1","","K, Nagarjuna Reddy; U, Subhadra; B, Sridhar; B V, Subba Reddy","Ru(ii)-Catalyzed spirocyclization of aryl N-sulfonyl ketimines with aryl isocyanates through an aromatic C-H bond activation.","Organic & biomolecular chemistry","2018","16","14","2522","2526","10.1039/C7OB03198J","","","0.71073","MoKα","","0.0391","0.0363","","","0.099","0.1015","","","","","","1.058","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156156","6.5612","0.0003","9.2289","0.0004","15.5715","0.0007","95.807","0.004","94.598","0.004","98.71","0.004","922.86","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H24 N4 O6 S -","- C15 H24 N4 O6 S -","- C30 H48 N8 O12 S2 -","2","1","","Matić, Josipa; Nekola, Irena; Višnjevac, Aleksandar; Kobetić, Renata; Martin-Kleiner, Irena; Kralj, Marijeta; Žinić, Biserka","C5-Morpholinomethylation of N1-sulfonylcytosines by a one-pot microwave assisted Mannich reaction.","Organic & biomolecular chemistry","2018","16","15","2678","2687","10.1039/c8ob00253c","","x-ray","1.54184","CuKα","","0.0577","0.0537","","","0.1453","0.1531","","","","","","1.001","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156157","10.94","0.004","23.899","0.008","10.129","0.003","90","","96.474","0.006","90","","2631.4","1.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H40 O5 -","- C27 H40 O5 -","- C108 H160 O20 -","4","1","","Qi, Jifeng; Deng, Ziyang; Huang, Bo; Cui, Sunliang","Metal-free α-alkylation of alcohols with para-quinone methides.","Organic & biomolecular chemistry","2018","16","15","2762","2767","10.1039/c8ob00568k","","","0.71073","MoKα","","0.091","0.072","","","0.2191","0.2426","","","","","","0.989","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156158","7.0746","0.0017","8.499","0.002","10.459","0.002","92.779","0.006","104.832","0.006","93.958","0.006","605","0.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H10 F2 O3 -","- C16 H10 F2 O3 -","- C32 H20 F4 O6 -","2","1","","Wang, Rui; Han, Jie; Li, Chenchen; Zhang, Jie; Liang, Yong; Wang, Tao; Zhang, Zunting","One-pot synthesis of 3-fluoroflavones via 1-(2-hydroxyphenyl)-3-phenylpropane-1,3-diones and selectfluor at room temperature.","Organic & biomolecular chemistry","2018","16","14","2479","2488","10.1039/C8OB00135A","","","1.54178","CuKα","","0.0431","0.043","","","0.1112","0.1113","","","","","","1.096","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156159","16.3273","0.0007","16.8364","0.0008","17.1138","0.0008","89.826","0.002","66.421","0.002","65.168","0.002","3835.3","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","CV835","","","- C24 H24 O -","- C24 H24 O -","- C192 H192 O8 -","8","4","","Virumbrales, Cintia; Suárez-Pantiga, Samuel; Solas, Marta; Fernández-Rodríguez, Manuel A; Sanz, Roberto","Gold(i)-catalyzed diastereoselective synthesis of 1-α-oxybenzyl-1H-indenes.","Organic & biomolecular chemistry","2018","16","15","2623","2628","10.1039/c8ob00406d","","","0.71073","MoKα","","0.1647","0.0676","","","0.1614","0.2016","","","","","","1.01","","","","has coordinates,has disorder","301861","2025-08-22","11:12:38",""
"7156160","8.5004","0.0002","12.8701","0.0002","16.4218","0.0003","90","","90","","90","","1796.56","0.06","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 N2 O7 -","- C16 H26 N2 O7 -","- C64 H104 N8 O28 -","4","1","","Josa-Culleré, Laia; Christensen, Kirsten E.; Moloney, Mark G.","Diastereoselective reduction of the tricarbonyl moiety in bicyclic tetramates giving pyroglutamates.","Organic & biomolecular chemistry","2018","16","15","2705","2710","10.1039/c8ob00187a","","","1.54184","CuKα","","0.0362","0.0356","","0.0958","0.095","0.0958","","","","","","1.0118","","","","has coordinates,has disorder","301861","2025-08-22","11:12:38",""
"7156161","8.5534","0.0001","13.2093","0.0002","16.1337","0.0002","90","","90","","90","","1822.86","0.04","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 I N2 O6 -","- C15 H23 I N2 O6 -","- C60 H92 I4 N8 O24 -","4","1","","Josa-Culleré, Laia; Christensen, Kirsten E.; Moloney, Mark G.","Diastereoselective reduction of the tricarbonyl moiety in bicyclic tetramates giving pyroglutamates.","Organic & biomolecular chemistry","2018","16","15","2705","2710","10.1039/c8ob00187a","","","1.5418","CuKα","","0.0302","0.0301","","0.0805","0.0803","0.0805","","","","","","1.0052","","","","has coordinates,has disorder","230818","2020-10-21","18:00:00",""
"7156162","8.7409","0.0005","9.6037","0.0006","12.1665","0.0007","72.299","0.004","87.366","0.004","72.955","0.005","929.18","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 N4 O2 -","- C24 H18 N4 O2 -","- C48 H36 N8 O4 -","2","1","","Kripalaya Ratheesh, Arya; Sparkes, Hazel A.; Prasad, Karnam Jayarampillai Rajendra","A new strategy for the synthesis of diverse benzo[a]carbazoles via a divergent catalytic Michael reaction.","Organic & biomolecular chemistry","2018","16","14","2527","2540","10.1039/C8OB00154E","","","0.71073","MoKα","","0.0807","0.0525","","","0.1019","0.1168","","","","","","1.05","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156163","8.3973","0.0008","8.5161","0.0009","14.1035","0.0013","97.848","0.006","104.222","0.006","108.609","0.006","900.83","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 N4 O2 -","- C23 H16 N4 O2 -","- C46 H32 N8 O4 -","2","1","","Kripalaya Ratheesh, Arya; Sparkes, Hazel A.; Prasad, Karnam Jayarampillai Rajendra","A new strategy for the synthesis of diverse benzo[a]carbazoles via a divergent catalytic Michael reaction.","Organic & biomolecular chemistry","2018","16","14","2527","2540","10.1039/C8OB00154E","","","0.71073","MoKα","","0.078","0.0495","","","0.116","0.1334","","","","","","1.023","","","","has coordinates,has disorder","301861","2025-08-22","11:12:38",""
"7156164","6.3579","0.0007","12.657","0.0013","22.518","0.002","90","","90","","90","","1812.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 Br O5 -","- C20 H17 Br O5 -","- C80 H68 Br4 O20 -","4","1","","Shen, Yue; Yang, Peng-Fei; Yang, Gaosheng; Chen, Wen-Long; Chai, Zhuo","Lewis acid-catalyzed enantiospecific [3 + 2] annulations of γ-butyrolactone fused cyclopropanes with aromatic aldehydes: synthesis of chiral furanolignans.","Organic & biomolecular chemistry","2018","16","15","2688","2696","10.1039/c8ob00455b","","","0.71073","MoKα","","0.0501","0.0339","","","0.0801","0.0868","","","","","","1.016","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156165","5.8248","0.0005","11.9048","0.001","26.568","0.002","90","","90","","90","","1842.3","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 O7 -","- C21 H20 O7 -","- C84 H80 O28 -","4","1","","Shen, Yue; Yang, Peng-Fei; Yang, Gaosheng; Chen, Wen-Long; Chai, Zhuo","Lewis acid-catalyzed enantiospecific [3 + 2] annulations of γ-butyrolactone fused cyclopropanes with aromatic aldehydes: synthesis of chiral furanolignans.","Organic & biomolecular chemistry","2018","16","15","2688","2696","10.1039/c8ob00455b","","","0.71073","MoKα","","0.0425","0.0362","","","0.0846","0.0893","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156166","10.7366","0.0004","11.0614","0.0005","21.0424","0.0011","90","","101.46","0.004","90","","2449.2","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 B2 F8 O2 S8 -","- C16 H14 B2 F8 O2 S8 -","- C64 H56 B8 F32 O8 S32 -","4","1","","Schröder, Hendrik V; Witte, Felix; Gaedke, Marius; Sobottka, Sebastian; Suntrup, Lisa; Hupatz, Henrik; Valkonen, Arto; Paulus, Beate; Rissanen, Kari; Sarkar, Biprajit; Schalley, Christoph A.","An aryl-fused redox-active tetrathiafulvalene with enhanced mixed-valence and radical-cation dimer stabilities.","Organic & biomolecular chemistry","2018","16","15","2741","2747","10.1039/c8ob00415c","","","0.71073","MoKα","","0.0578","0.0386","","","0.08","0.0892","","","","","","1.025","","","","has coordinates","230817","2020-10-21","18:00:00",""
"7156167","31.739","0.003","4.5314","0.0004","14.5044","0.0012","90","","101.228","0.005","90","","2046.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O2 S8 -","- C16 H14 O2 S8 -","- C64 H56 O8 S32 -","4","1","","Schröder, Hendrik V; Witte, Felix; Gaedke, Marius; Sobottka, Sebastian; Suntrup, Lisa; Hupatz, Henrik; Valkonen, Arto; Paulus, Beate; Rissanen, Kari; Sarkar, Biprajit; Schalley, Christoph A.","An aryl-fused redox-active tetrathiafulvalene with enhanced mixed-valence and radical-cation dimer stabilities.","Organic & biomolecular chemistry","2018","16","15","2741","2747","10.1039/c8ob00415c","","","1.54178","CuKα","","0.0507","0.0395","","","0.0987","0.104","","","","","","1.048","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156168","7.9327","0.0004","18.8397","0.0009","22.3499","0.0016","90","","100.199","0.005","90","","3287.4","0.3","293","2","293.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H33 Br O4 S Se -","- C33 H33 Br O4 S Se -","- C132 H132 Br4 O16 S4 Se4 -","4","2","","Luo, Shilong; Zhang, Nan; Wang, Zhen; Yan, Hailong","Enantioselective addition of selenosulfonates to α,β-unsaturated ketones.","Organic & biomolecular chemistry","2018","16","16","2893","2901","10.1039/c8ob00359a","","x-ray","0.71073","MoKα","","0.1192","0.0676","","","0.1421","0.1658","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156169","9.795","0.005","10.469","0.005","12.397","0.005","87.898","0.005","81.097","0.005","82.861","0.005","1246","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N2 O4 -","- C30 H30 N2 O4 -","- C60 H60 N4 O8 -","2","1","","Wani, Imtiyaz Ahmad; Bhattacharyya, Aditya; Sayyad, Masthanvali; Ghorai, Manas K.","Temperature-modulated diastereoselective transformations of 2-vinylindoles to tetrahydrocarbazoles and tetrahydrocycloheptadiindoles.","Organic & biomolecular chemistry","2018","16","16","2910","2922","10.1039/c8ob00228b","","","0.71073","MoKα","","0.2425","0.087","","","0.1476","0.1989","","","","","","0.985","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156170","13.1542","0.0009","13.3153","0.0009","15.723","0.0011","103.217","0.002","113.154","0.002","93.739","0.002","2427.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H60 N4 O8 -","- C60 H60 N4 O8 -","- C120 H120 N8 O16 -","2","1","","Wani, Imtiyaz Ahmad; Bhattacharyya, Aditya; Sayyad, Masthanvali; Ghorai, Manas K.","Temperature-modulated diastereoselective transformations of 2-vinylindoles to tetrahydrocarbazoles and tetrahydrocycloheptadiindoles.","Organic & biomolecular chemistry","2018","16","16","2910","2922","10.1039/c8ob00228b","","","0.71073","MoKα","","0.1321","0.0642","","","0.1341","0.164","","","","","","0.976","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156171","7.581","0.005","10.819","0.005","13.144","0.005","89.938","0.005","87.155","0.005","82.887","0.005","1068.4","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H26 N2 O4 -","- C26 H26 N2 O4 -","- C52 H52 N4 O8 -","2","1","","Wani, Imtiyaz Ahmad; Bhattacharyya, Aditya; Sayyad, Masthanvali; Ghorai, Manas K.","Temperature-modulated diastereoselective transformations of 2-vinylindoles to tetrahydrocarbazoles and tetrahydrocycloheptadiindoles.","Organic & biomolecular chemistry","2018","16","16","2910","2922","10.1039/c8ob00228b","","","0.71073","MoKα","","0.0678","0.0505","","","0.1261","0.1352","","","","","","1.049","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156172","7.8621","0.0004","10.129","0.0005","12.5926","0.0005","70.829","0.004","76.104","0.004","67.503","0.005","867.55","0.08","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H16 Cl N3 O6 S -","- C14 H16 Cl N3 O6 S -","- C28 H32 Cl2 N6 O12 S2 -","2","1","","Zhou, Minghui; Su, Qin; Addepalli, Yesu; He, Yun; Wang, Zhen","An asymmetric Mannich reaction of α-diazocarbonyl compounds and N-sulfonyl cyclic ketimines catalyzed by complexes generated from chiral and achiral phosphines with gold(i).","Organic & biomolecular chemistry","2018","16","16","2923","2931","10.1039/c8ob00577j","","x-ray","0.71073","MoKα","","0.0752","0.0492","","","0.1246","0.1343","","","","","","1.098","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156173","8.809","0.011","12.652","0.016","16.37","0.02","90","","91.413","0.013","90","","1824","4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","vbchem293S","","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C84 H80 N8 O20 -","4","1","","Mondal, Susmita; Hajra, Alakananda","Ruthenium(ii)-catalyzed remote C-H addition of 8 aminoquinoline amide to activated aldehyde.","Organic & biomolecular chemistry","2018","16","16","2846","2850","10.1039/c8ob00537k","","","0.71073","MoKα","","0.1956","0.1141","","","0.2736","0.3356","","","","","","1.547","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156174","20.187","0.002","12.8111","0.0015","19.386","0.003","90","","110.362","0.013","90","","4700.3","1.1","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H25.12 O5 S -","- C26 H25.122 O5 S -","- C208 H200.976 O40 S8 -","8","1","","Ma, Shanshan; Yu, Aimin; Meng, Xiangtai","Phosphine-catalyzed [4 + 2] annulation of γ-benzyl allenoates: facile synthesis of benzothieno[3,2-b]pyran derivatives.","Organic & biomolecular chemistry","2018","16","16","2885","2892","10.1039/c8ob00004b","","x-ray","0.71073","MoKα","","0.0959","0.0587","","","0.1527","0.1989","","","","","","1.106","","","","has coordinates,has disorder","230736","2020-10-21","18:00:00",""
"7156175","10.8783","0.0012","11.1724","0.0013","11.9506","0.0014","103.441","0.01","110.162","0.011","103.53","0.01","1245.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 Cl O7 S -","- C24 H21 Cl O7 S -","- C48 H42 Cl2 O14 S2 -","2","1","","Ma, Shanshan; Yu, Aimin; Meng, Xiangtai","Phosphine-catalyzed [4 + 2] annulation of γ-benzyl allenoates: facile synthesis of benzothieno[3,2-b]pyran derivatives.","Organic & biomolecular chemistry","2018","16","16","2885","2892","10.1039/c8ob00004b","","x-ray","0.71073","MoKα","","0.1108","0.0802","","","0.212","0.2512","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156176","7.753","0.002","14.532","0.004","11.144","0.003","90","","98.574","0.006","90","","1241.5","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N4 O -","- C14 H14 N4 O -","- C56 H56 N16 O4 -","4","1","","Tong, Feng; Linares-Mendez, Iamnica J; Han, Yi-Fei; Wisner, James A.; Wang, Hong-Bo","Readily functionalized AAA-DDD triply hydrogen-bonded motifs.","Organic & biomolecular chemistry","2018","16","16","2947","2954","10.1039/c8ob00479j","","","0.71073","MoKα","","0.0444","0.0348","","","0.0915","0.1021","","","","","","1.069","","","","has coordinates","230735","2020-10-21","18:00:00",""
"7156177","12.3199","0.0011","22.2918","0.0014","9.1023","0.0009","90","","108.63","0.009","90","","2368.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N O4 P -","- C28 H22 N O4 P -","- C112 H88 N4 O16 P4 -","4","1","","Su, Xiaoxue; Yang, Fan; Wu, Yusheng; Wu, Yangjie","Direct C4-H phosphonation of 8-hydroxyquinoline derivatives employing photoredox catalysis and silver catalysis.","Organic & biomolecular chemistry","2018","16","15","2753","2756","10.1039/c8ob00370j","","x-ray","0.71073","MoKα","","0.0895","0.0537","","","0.1154","0.1371","","","","","","1.021","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156178","9.0578","0.0005","9.3785","0.0005","15.7048","0.0009","103.167","0.001","101.337","0.001","91.84","0.001","1269.54","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 F3 N4 O6 -","- C25 H27 F3 N4 O6 -","- C50 H54 F6 N8 O12 -","2","1","","Vorobyeva, Daria V.; Vinogradov, Mikhail M.; Nelyubina, Yulia V.; Loginov, Dmitry A.; Peregudov, Alexander S.; Osipov, Sergey N.","Rhodium(iii)-catalyzed CF<sub>3</sub>-carbenoid C-H functionalization of 6-arylpurines.","Organic & biomolecular chemistry","2018","16","16","2966","2974","10.1039/c8ob00645h","","","0.71073","MoKα","","0.0575","0.0457","","","0.1171","0.1261","","","","","","1.005","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156179","9.7486","0.001","10.5135","0.0011","19.312","0.002","90","","100.75","0.002","90","","1944.6","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 N4 O4 -","- C21 H24 N4 O4 -","- C84 H96 N16 O16 -","4","1","","Vorobyeva, Daria V.; Vinogradov, Mikhail M.; Nelyubina, Yulia V.; Loginov, Dmitry A.; Peregudov, Alexander S.; Osipov, Sergey N.","Rhodium(iii)-catalyzed CF<sub>3</sub>-carbenoid C-H functionalization of 6-arylpurines.","Organic & biomolecular chemistry","2018","16","16","2966","2974","10.1039/c8ob00645h","","","0.71073","MoKα","","0.0598","0.046","","","0.1092","0.118","","","","","","1.007","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156180","9.9316","0.0014","9.6118","0.0013","33.373","0.005","90","","97.634","0.004","90","","3157.6","0.8","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 Br Cl4 N O2 S2 -","- C32 H22 Br Cl4 N O2 S2 -","- C128 H88 Br4 Cl16 N4 O8 S8 -","4","1","","Bi, Cheng; Zhang, Lianpeng; Qiu, Guanyinsheng; Li, Xiaofang; Yao, Jinzhong; Zhou, Hongwei","Stereoselective and regioselective 5-exo-dig cyclization of 8-alkynylnaphthalen-1-amines for the synthesis of (E)-2-(arylthio)alkylene-1,2-dihydrobenzo[cd]indoles.","Organic & biomolecular chemistry","2018","16","16","3006","3011","10.1039/c8ob00556g","","","0.71073","MoKα","","0.0801","0.0507","","","0.1345","0.1527","","","","","","0.993","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156181","10.5352","0.0005","5.659","0.0003","20.7179","0.0008","90","","95.495","0.002","90","","1229.5","0.1","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C60 H56 N8 O4 -","4","1","","Das, Ranajit; Banerjee, Mainak; Rai, Rakesh Kumar; Karri, Ramesh; Roy, Gouriprasanna","Metal-free C(sp<sup>2</sup>)-H functionalization of azoles: K<sub>2</sub>CO<sub>3</sub>/I<sub>2</sub>-mediated oxidation, imination, and amination.","Organic & biomolecular chemistry","2018","16","23","4243","4260","10.1039/c8ob00535d","","","0.71073","MoKα","","0.0705","0.043","","","0.1114","0.1304","","","","","","0.985","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156182","10.1088","0.0011","10.1122","0.0011","15.6369","0.0016","106.118","0.004","90.862","0.004","117.901","0.004","1337.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","C11H12I2N2","","- C11 H12 I2 N2 -","- C11 H12 I2 N2 -","- C44 H48 I8 N8 -","4","2","","Das, Ranajit; Banerjee, Mainak; Rai, Rakesh Kumar; Karri, Ramesh; Roy, Gouriprasanna","Metal-free C(sp<sup>2</sup>)-H functionalization of azoles: K<sub>2</sub>CO<sub>3</sub>/I<sub>2</sub>-mediated oxidation, imination, and amination.","Organic & biomolecular chemistry","2018","16","23","4243","4260","10.1039/c8ob00535d","","","0.71073","MoKα","","0.1393","0.0958","","","0.228","0.2484","","","","","","1.088","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156183","8.7463","0.0003","9.1092","0.0003","13.1444","0.0005","90","","90","","90","","1047.24","0.06","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 I N2 -","- C10 H9 I N2 -","- C40 H36 I4 N8 -","4","1","","Das, Ranajit; Banerjee, Mainak; Rai, Rakesh Kumar; Karri, Ramesh; Roy, Gouriprasanna","Metal-free C(sp<sup>2</sup>)-H functionalization of azoles: K<sub>2</sub>CO<sub>3</sub>/I<sub>2</sub>-mediated oxidation, imination, and amination.","Organic & biomolecular chemistry","2018","16","23","4243","4260","10.1039/c8ob00535d","","","0.71073","MoKα","","0.0132","0.0126","","","0.0294","0.0296","","","","","","1.058","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156184","4.6419","0.0003","24.9757","0.0017","9.3367","0.0006","90","","97.371","0.002","90","","1073.5","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O3 -","- C11 H12 N2 O3 -","- C44 H48 N8 O12 -","4","1","","Das, Ranajit; Banerjee, Mainak; Rai, Rakesh Kumar; Karri, Ramesh; Roy, Gouriprasanna","Metal-free C(sp<sup>2</sup>)-H functionalization of azoles: K<sub>2</sub>CO<sub>3</sub>/I<sub>2</sub>-mediated oxidation, imination, and amination.","Organic & biomolecular chemistry","2018","16","23","4243","4260","10.1039/c8ob00535d","","","0.71073","MoKα","","0.1274","0.0602","","","0.1125","0.1367","","","","","","1.084","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156185","8.9971","0.0005","8.2161","0.0005","14.939","0.0009","90","","92.864","0.002","90","","1102.93","0.11","299","2","299","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 Br N2 O -","- C10 H13 Br N2 O -","- C40 H52 Br4 N8 O4 -","4","1","","Das, Ranajit; Banerjee, Mainak; Rai, Rakesh Kumar; Karri, Ramesh; Roy, Gouriprasanna","Metal-free C(sp<sup>2</sup>)-H functionalization of azoles: K<sub>2</sub>CO<sub>3</sub>/I<sub>2</sub>-mediated oxidation, imination, and amination.","Organic & biomolecular chemistry","2018","16","23","4243","4260","10.1039/c8ob00535d","","","0.71073","MoKα","","0.0613","0.0339","","","0.0646","0.0732","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156186","5.07","0.004","20.668","0.016","16","0.013","90","","93.39","0.02","90","","1674","2","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 Cl N3 O -","- C21 H14 Cl N3 O -","- C84 H56 Cl4 N12 O4 -","4","1","","Das, Ranajit; Banerjee, Mainak; Rai, Rakesh Kumar; Karri, Ramesh; Roy, Gouriprasanna","Metal-free C(sp<sup>2</sup>)-H functionalization of azoles: K<sub>2</sub>CO<sub>3</sub>/I<sub>2</sub>-mediated oxidation, imination, and amination.","Organic & biomolecular chemistry","2018","16","23","4243","4260","10.1039/c8ob00535d","","","0.71073","MoKα","","0.2245","0.1177","","","0.31","0.3965","","","","","","1.118","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156187","10.0967","0.0003","11.1751","0.0003","13.81","0.0004","90","","104.85","0.003","90","","1506.16","0.08","150","","150","","","","","","","","synthetic","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N2 O5 S -","- C14 H18 N2 O5 S -","- C56 H72 N8 O20 S4 -","4","1","","Fegheh-Hassanpour, Younes; Ebrahim, Faisal; Arif, Tanzeel; Sintim, Herman O.; Claridge, Timothy D. W.; Amin, Nader T.; Hodgson, David M.","On the ozonolysis of unsaturated tosylhydrazones as a direct approach to diazocarbonyl compounds.","Organic & biomolecular chemistry","2018","16","16","2876","2884","10.1039/c8ob00435h","","","1.5418","CuKα","","0.0319","0.0299","","0.0803","0.0781","0.0803","","","","","","1.0085","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156188","13.9735","0.0008","11.3828","0.0006","10.4133","0.0006","90","","109.645","0.001","90","","1559.91","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 F5 N O2 S -","- C14 H16 F5 N O2 S -","- C56 H64 F20 N4 O8 S4 -","4","1","","Savoie, Paul R.; von Hahmann, Cortney N.; Penger, Alexander; Wei, Zheng; Welch, John T.","The control of stereochemistry by the pentafluorosulfanyl group.","Organic & biomolecular chemistry","2018","16","17","3151","3159","10.1039/c7ob03146g","","","0.71073","MoKα","","0.0695","0.0419","","","0.0908","0.1013","","","","","","1.014","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156189","9.5682","0.0003","18.4465","0.0007","9.7648","0.0004","90","","104.808","0.0017","90","","1666.25","0.11","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O -","- C20 H20 N2 O -","- C80 H80 N8 O4 -","4","1","","Mariappan, Arumugam; Das, Krishna Mohan; Jeganmohan, Masilamani","Remote alkylation of N-(quinolin-8-yl)benzamides with alkyl bromides via ruthenium(ii)-catalyzed C-H bond activation.","Organic & biomolecular chemistry","2018","16","18","3419","3427","10.1039/c8ob00581h","","","0.71073","MoKα","","0.0566","0.0406","","","0.0999","0.1116","","","","","","1.042","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156190","13.248","0.008","11.319","0.007","21.558","0.012","90","","90","","90","","3233","3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H22 O5 -","- C18 H22 O5 -","- C144 H176 O40 -","8","1","","Zhang, Wuxia; Xiao, Dehai; Wang, Bo","A concise total synthesis of cochlearoid B.","Organic & biomolecular chemistry","2018","16","18","3358","3361","10.1039/c8ob00615f","","","0.71073","MoKα","","0.0916","0.0631","","","0.1493","0.1671","","","","","","0.989","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156191","8.5808","0.0017","10.449","0.002","27.944","0.006","83.51","0.03","88.58","0.03","66.94","0.03","2290","1","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Br N O7 -","- C24 H24 Br N O7 -","- C96 H96 Br4 N4 O28 -","4","2","","Zhang, Wuxia; Xiao, Dehai; Wang, Bo","A concise total synthesis of cochlearoid B.","Organic & biomolecular chemistry","2018","16","18","3358","3361","10.1039/c8ob00615f","","","0.71073","MoKα","","0.0974","0.0532","","","0.1193","0.1359","","","","","","1.011","","","","has coordinates,has disorder","301861","2025-08-22","11:12:38",""
"7156192","10.7014","0.0002","14.4421","0.0003","14.1016","0.0004","90","","106.984","0.003","90","","2084.36","0.09","119.99","0.17","119.99","0.17","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 F N2 O4 -","- C22 H29 F N2 O4 -","- C88 H116 F4 N8 O16 -","4","1","","Aimon, Anthony; Karageorgis, George; Masters, Jacob; Dow, Mark; Craven, Philip G. E.; Ohsten, Martin; Willaume, Anthony; Morgentin, Rémy; Ruiz-Llamas, Nicolas; Lemoine, Hugues; Kalliokoski, Tuomo; Eatherton, Andrew J.; Foley, Daniel J.; Marsden, Stephen P.; Nelson, Adam","Realisation of small molecule libraries based on frameworks distantly related to natural products.","Organic & biomolecular chemistry","2018","16","17","3160","3167","10.1039/c8ob00688a","","x-ray","1.54184","CuKα","","0.045","0.0392","","","0.0939","0.0988","","","","","","1.053","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156193","8.0151","0.0004","11.4152","0.0005","12.798","0.0006","89.432","0.003","71.763","0.003","86.136","0.003","1109.52","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N2 O3 -","- C26 H24 N2 O3 -","- C52 H48 N4 O6 -","2","1","","Waheed, Mohd; Ahmed, Naseem; Alsharif, Meshari A.; Alahmdi, Mohammed Issa; Mukhtar, Sayeed","One-pot synthesis of 1,5-diketones from 3-acetyl-4-hydroxycoumarin and effective cyclization to unexpected 3,4-dihydropyridines.","Organic & biomolecular chemistry","2018","16","18","3428","3437","10.1039/c8ob00718g","","","0.71073","MoKα","","0.1632","0.0701","","","0.2155","0.2979","","","","","","0.95","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156194","7.746","0.0003","11.9902","0.0004","12.4618","0.0004","70.558","0.002","75.621","0.002","79.609","0.002","1051.15","0.07","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H24 O5 -","- C25 H24 O5 -","- C50 H48 O10 -","2","1","","Waheed, Mohd; Ahmed, Naseem; Alsharif, Meshari A.; Alahmdi, Mohammed Issa; Mukhtar, Sayeed","One-pot synthesis of 1,5-diketones from 3-acetyl-4-hydroxycoumarin and effective cyclization to unexpected 3,4-dihydropyridines.","Organic & biomolecular chemistry","2018","16","18","3428","3437","10.1039/c8ob00718g","","","0.71073","MoKα","","0.117","0.0762","","","0.242","0.2808","","","","","","1.042","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156195","8.6001","0.0001","17.1655","0.0002","9.5808","0.0001","90","","94.473","0.001","90","","1410.06","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H29 N3 O5 S2 -","- C30 H29 N3 O5 S2 -","- C60 H58 N6 O10 S4 -","2","1","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71073","MoKα","K-L~3~","0.0321","0.031","","","0.0697","0.0704","","","","","","1.042","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156196","5.8407","0.0001","14.9477","0.0004","19.3104","0.0006","90","","90","","90","","1685.9","0.07","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O5 S2 -","- C17 H17 N O5 S2 -","- C68 H68 N4 O20 S8 -","4","1","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71075","MoKα","","0.0228","0.0226","","","0.0601","0.0602","","","","","","1.108","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156197","14.3941","0.0002","6.9252","0.00011","21.6163","0.0004","90","","94.3263","0.0015","90","","2148.62","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H22 N2 O3 S2 -","- C24 H22 N2 O3 S2 -","- C96 H88 N8 O12 S8 -","4","2","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71073","MoKα","","0.0264","0.0253","","","0.0651","0.0657","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156198","10.414","0.0003","15.8099","0.0004","21.1096","0.0005","90","","90","","90","","3475.58","0.16","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N2 O3 S2 -","- C19 H16 N2 O3 S2 -","- C152 H128 N16 O24 S16 -","8","1","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71073","MoKα","","0.0552","0.041","","","0.0886","0.0948","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156199","10.3634","0.0002","12.0468","0.0003","21.0449","0.0004","90","","90","","90","","2627.37","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H12 N2 O S2 -","- C14 H12 N2 O S2 -","- C112 H96 N16 O8 S16 -","8","1","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71073","MoKα","","0.0346","0.0298","","","0.077","0.0798","","","","","","1.019","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156200","5.6439","0.0003","10.3733","0.0003","11.1733","0.0004","88.811","0.003","76.205","0.004","88.281","0.003","634.93","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 N2 O S2 -","- C14 H12 N2 O S2 -","- C28 H24 N4 O2 S4 -","2","1","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71073","MoKα","","0.0341","0.0313","","","0.0845","0.0864","","","","","","1.043","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156201","9.13571","0.00013","13.38135","0.00018","30.0335","0.0004","90","","90","","90","","3671.54","0.09","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O3 S2 -","- C19 H21 N O3 S2 -","- C152 H168 N8 O24 S16 -","8","1","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71073","MoKα","","0.0323","0.0296","","","0.0798","0.0815","","","","","","1.042","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156202","11.8815","0.0012","6.2795","0.0006","23.859","0.003","90","","95.94","0.003","90","","1770.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N2 O3 S2 -","- C21 H16 N2 O3 S2 -","- C84 H64 N8 O12 S8 -","4","1","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71075","MoKα","","0.0328","0.0294","","","0.0793","0.081","","","","","","1.058","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156203","11.0765","0.0011","18.7037","0.0019","17.8788","0.0018","90","","91.808","0.002","90","","3702.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N2 O3 S2 -","- C21 H16 N2 O3 S2 -","- C168 H128 N16 O24 S16 -","8","2","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71075","MoKα","","0.0373","0.0315","","","0.0805","0.0829","","","","","","1.049","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156204","9.2019","0.0006","33.434","0.002","36.933","0.003","90","","90","","90","","11362.7","1.4","104","2","104","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C93 H151 N25 O23 -","- C74 H123 N21 O18 -","- C296 H492 N84 O72 -","4","1","","Ben Haj Salah, Khoubaib; Das, Sanjit; Ruiz, Nicolas; Andreu, Vanessa; Martinez, Jean; Wenger, Emmanuel; Amblard, Muriel; Didierjean, Claude; Legrand, Baptiste; Inguimbert, Nicolas","How are 1,2,3-triazoles accommodated in helical secondary structures?","Organic & biomolecular chemistry","2018","16","19","3576","3583","10.1039/c8ob00686e","","x-ray","1.54184","CuKα","","0.1715","0.1324","","","0.3416","0.3761","","","","","","1.308","","","","has coordinates","230725","2020-10-21","18:00:00",""
"7156205","9.0696","0.0001","21.623","0.0003","23.9383","0.0004","111.419","0.001","95.745","0.001","98.514","0.001","4261.16","0.11","110","2","110","2","","","","","","","","4","P 1","P 1","1","","","","- C142 H233 N33 O37 -","- C142 H231 N33 O37 -","- C142 H231 N33 O37 -","1","1","","Ben Haj Salah, Khoubaib; Das, Sanjit; Ruiz, Nicolas; Andreu, Vanessa; Martinez, Jean; Wenger, Emmanuel; Amblard, Muriel; Didierjean, Claude; Legrand, Baptiste; Inguimbert, Nicolas","How are 1,2,3-triazoles accommodated in helical secondary structures?","Organic & biomolecular chemistry","2018","16","19","3576","3583","10.1039/c8ob00686e","","","1.54184","CuKα","","0.0944","0.0802","","","0.205","0.2161","","","","","","1.001","","","","has coordinates","230725","2020-10-21","18:00:00",""
"7156206","24.5384","0.0013","8.9796","0.0005","40.3241","0.0019","90","","105.026","0.005","90","","8581.4","0.8","100","2","100","2","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C69 H113 N17 O18 -","- C69 H113 N17 O18 -","- C276 H452 N68 O72 -","4","1","","Ben Haj Salah, Khoubaib; Das, Sanjit; Ruiz, Nicolas; Andreu, Vanessa; Martinez, Jean; Wenger, Emmanuel; Amblard, Muriel; Didierjean, Claude; Legrand, Baptiste; Inguimbert, Nicolas","How are 1,2,3-triazoles accommodated in helical secondary structures?","Organic & biomolecular chemistry","2018","16","19","3576","3583","10.1039/c8ob00686e","","","1.54184","CuKα","","0.0937","0.0629","","","0.146","0.1651","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156207","10.1857","0.0002","17.9944","0.0004","46.7774","0.0009","90","","90","","90","","8573.6","0.3","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C71 H114 N18 O17 -","- C71 H114 N18 O17 -","- C284 H456 N72 O68 -","4","1","","Ben Haj Salah, Khoubaib; Das, Sanjit; Ruiz, Nicolas; Andreu, Vanessa; Martinez, Jean; Wenger, Emmanuel; Amblard, Muriel; Didierjean, Claude; Legrand, Baptiste; Inguimbert, Nicolas","How are 1,2,3-triazoles accommodated in helical secondary structures?","Organic & biomolecular chemistry","2018","16","19","3576","3583","10.1039/c8ob00686e","","","1.54184","CuKα","","0.0769","0.066","","","0.1848","0.1985","","","","","","0.84","","","","has coordinates,has disorder","301861","2025-08-22","11:12:38",""
"7156208","29.04","0.02","33.47","0.02","10.3","0.01","90","","90","","90","","10011","13","110","2","110","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C78 H133 N19 O19 -","- C78 H129 N19 O19 -","- C312 H516 N76 O76 -","4","1","","Ben Haj Salah, Khoubaib; Das, Sanjit; Ruiz, Nicolas; Andreu, Vanessa; Martinez, Jean; Wenger, Emmanuel; Amblard, Muriel; Didierjean, Claude; Legrand, Baptiste; Inguimbert, Nicolas","How are 1,2,3-triazoles accommodated in helical secondary structures?","Organic & biomolecular chemistry","2018","16","19","3576","3583","10.1039/c8ob00686e","","","0.92","","","0.1092","0.0968","","","0.2663","0.2748","","","","","","1.635","","","","has coordinates","230725","2020-10-21","18:00:00",""
"7156209","12.0625","0.0003","35.0403","0.0008","31.1624","0.0008","90","","100.906","0.003","90","","12933.6","0.6","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C184 H302 N50 O46 -","- C184 H302 N50 O46 -","- C368 H604 N100 O92 -","2","1","","Ben Haj Salah, Khoubaib; Das, Sanjit; Ruiz, Nicolas; Andreu, Vanessa; Martinez, Jean; Wenger, Emmanuel; Amblard, Muriel; Didierjean, Claude; Legrand, Baptiste; Inguimbert, Nicolas","How are 1,2,3-triazoles accommodated in helical secondary structures?","Organic & biomolecular chemistry","2018","16","19","3576","3583","10.1039/c8ob00686e","","","1.54184","CuKα","","0.0902","0.0719","","","0.1899","0.2112","","","","","","1.051","","","","has coordinates,has disorder","230725","2020-10-21","18:00:00",""
"7156210","11.0806","0.0004","8.8522","0.0004","17.7829","0.0006","90","","102.82","0.0018","90","","1700.8","0.11","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ce H16 N7 O19 -","- Ce H4 N7 O19 -","- Ce4 H16 N28 O76 -","4","0.5","","Wang, Tinghua; Nigudkar, Swati S.; Yasomanee, Jagodige P.; Rath, Nigam P.; Stine, Keith J.; Demchenko, Alexei V.","Glycosyl nitrates in synthesis: streamlined access to glucopyranose building blocks differentiated at C-2.","Organic & biomolecular chemistry","2018","16","19","3596","3604","10.1039/c8ob00477c","","","0.71073","MoKα","","0.0516","0.044","","","0.1119","0.1151","","","","","","1.161","","","","has coordinates,has disorder","230726","2020-10-21","18:00:00",""
"7156211","5.5311","0.0007","13.8941","0.0017","23.168","0.003","90","","90","","90","","1780.5","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O12 -","- C14 H19 N O12 -","- C56 H76 N4 O48 -","4","1","","Wang, Tinghua; Nigudkar, Swati S.; Yasomanee, Jagodige P.; Rath, Nigam P.; Stine, Keith J.; Demchenko, Alexei V.","Glycosyl nitrates in synthesis: streamlined access to glucopyranose building blocks differentiated at C-2.","Organic & biomolecular chemistry","2018","16","19","3596","3604","10.1039/c8ob00477c","","","0.71073","MoKα","","0.0715","0.0416","","","0.0728","0.0827","","","","","","1.016","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156212","14.9257","0.0016","5.4551","0.0006","21.093","0.002","90","","95.99","0.007","90","","1708","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H27 N O12 -","- C34 H27 N O12 -","- C68 H54 N2 O24 -","2","1","","Wang, Tinghua; Nigudkar, Swati S.; Yasomanee, Jagodige P.; Rath, Nigam P.; Stine, Keith J.; Demchenko, Alexei V.","Glycosyl nitrates in synthesis: streamlined access to glucopyranose building blocks differentiated at C-2.","Organic & biomolecular chemistry","2018","16","19","3596","3604","10.1039/c8ob00477c","","","0.71073","MoKα","","0.1668","0.0789","","","0.1695","0.2084","","","","","","1.035","","","","has coordinates,has disorder","301861","2025-08-22","11:12:38",""
"7156213","10.3289","0.0003","13.752","0.0004","18.4669","0.0007","90","","90","","90","","2623.09","0.15","290","2","290","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 Cl F3 N4 O3 -","- C28 H22 Cl F3 N4 O3 -","- C112 H88 Cl4 F12 N16 O12 -","4","1","","Luo, Yuan; Xie, Ke-Xin; Yue, Deng-Feng; Zhang, Xiao-Mei; Xu, Xiao-Ying; Yuan, Wei-Cheng","An organocatalytic asymmetric Mannich reaction of pyrazoleamides with cyclic trifluoromethyl ketimines: enantioselective access to dihydroquinazolinone skeletons.","Organic & biomolecular chemistry","2018","16","18","3372","3375","10.1039/c8ob00707a","","","0.71073","MoKα","","0.064","0.0431","","","0.0942","0.104","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156214","8.2863","0.001","8.959","0.0011","10.6474","0.0012","87.057","0.01","70.068","0.011","71.08","0.011","701.38","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H12 O3 S -","- C17 H12 O3 S -","- C34 H24 O6 S2 -","2","1","","Shen, Jinhui; Yang, Yang; Hou, Xiaoli; Zeng, Wenlei; Yu, Aimin; Zhao, Xiaowei; Meng, Xiangtai","Darzens reaction of thioisatins and sulfonium salts: approach to the synthesis of thiochromenone derivatives with anticancer potency.","Organic & biomolecular chemistry","2018","16","18","3487","3494","10.1039/c8ob00402a","","x-ray","0.71073","MoKα","","0.0685","0.0452","","","0.1231","0.157","","","","","","0.966","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156215","7.2549","0.0016","20.063","0.005","14.429","0.004","90","","101.37","0.03","90","","2059","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 O4 S -","- C25 H18 O4 S -","- C100 H72 O16 S4 -","4","1","","Shen, Jinhui; Yang, Yang; Hou, Xiaoli; Zeng, Wenlei; Yu, Aimin; Zhao, Xiaowei; Meng, Xiangtai","Darzens reaction of thioisatins and sulfonium salts: approach to the synthesis of thiochromenone derivatives with anticancer potency.","Organic & biomolecular chemistry","2018","16","18","3487","3494","10.1039/c8ob00402a","","x-ray","0.71073","MoKα","","0.1532","0.085","","","0.1909","0.2527","","","","","","1.121","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156216","9.05","0.004","10.2","0.004","27.541","0.011","89.877","0.006","93.866","0.006","111.112","0.005","2365.6","1.7","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H26 N2 O5 -","- C29 H26 N2 O5 -","- C116 H104 N8 O20 -","4","2","","Tang, Xue; Gao, Ying-Juan; Deng, Hui-Qing; Lei, Jin-Ju; Liu, Si-Wei; Zhou, Lin; Shi, Yin; Liang, Hao; Qiao, Jie; Guo, Li; Han, Bo; Cui, Hai-Lei","Catalyst-free [3 + 2] cyclization of dihydroisoquinoline imines and isatin-derived Morita-Baylis-Hillman carbonates via 1,5-electrocyclization: synthesis of tetrahydroisoquinoline-fused spirooxindoles.","Organic & biomolecular chemistry","2018","16","18","3362","3366","10.1039/c8ob00749g","","","0.71073","MoKα","","0.1443","0.1072","","","0.278","0.2967","","","","","","1.06","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156217","20.451","0.002","29.075","0.003","9.8797","0.0009","90","","103.894","0.002","90","","5702.7","1","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H50 N2 O14 S3 -","- C60 H50 N2 O14 S3 -","- C240 H200 N8 O56 S12 -","4","1","","Mishra, Richa; Jana, Asim; Panday, Anoop Kumar; Choudhury, Lokman H.","Synthesis of fused pyrroles containing 4-hydroxycoumarins by regioselective metal-free multicomponent reactions.","Organic & biomolecular chemistry","2018","16","17","3289","3302","10.1039/c8ob00161h","","","0.71073","MoKα","","0.0735","0.0647","","","0.184","0.1938","","","","","","1.06","","","","has coordinates,has disorder","230707","2020-10-21","18:00:00",""
"7156218","13.4091","0.0003","7.5272","0.0001","13.3823","0.0003","90","","114.262","0.003","90","","1231.41","0.05","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(2-Hydroxy-2-phenylethyl)-4-methyl-2,5-dihydrothiophene-1,1-dioxide","","- C13 H16 O3 S -","- C13 H16 O3 S -","- C52 H64 O12 S4 -","4","1","","Dang, Hang T.; Nguyen, Vu T.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Efficient synthesis of 3-sulfolenes from allylic alcohols and 1,3-dienes enabled by sodium metabisulfite as a sulfur dioxide equivalent.","Organic & biomolecular chemistry","2018","16","19","3605","3609","10.1039/c8ob00745d","","x-ray","0.71073","MoKα","","0.0664","0.0601","","","0.1226","0.1292","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156219","39.247","0.004","12.6465","0.0011","21.5421","0.0019","90","","93.847","0.002","90","","10668.1","1.7","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H60 Cl2 N6 Ni O S2 -","- C56 H58 Cl2 N6 Ni O S2 -","- C448 H464 Cl16 N48 Ni8 O8 S16 -","8","1","","Smith, Martin J.; Blake, Iain M.; Clegg, William; Anderson, Harry L.","Push-pull quinoidal porphyrins.","Organic & biomolecular chemistry","2018","16","19","3648","3654","10.1039/c8ob00491a","","","0.6893","synchrotron","","0.1045","0.0701","","","0.1767","0.2007","","","","","","1.066","","","","has coordinates,has disorder","230727","2020-10-21","18:00:00",""
"7156220","26.289","0.002","15.6605","0.0014","28.462","0.002","90","","109.794","0.002","90","","11025.4","1.5","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C58 H68 Cl2 N4 Ni S2 Si -","- C58 H68 Cl2 N4 Ni S2 Si -","- C464 H544 Cl16 N32 Ni8 S16 Si8 -","8","4","","Smith, Martin J.; Blake, Iain M.; Clegg, William; Anderson, Harry L.","Push-pull quinoidal porphyrins.","Organic & biomolecular chemistry","2018","16","19","3648","3654","10.1039/c8ob00491a","","","0.6932","synchrotron","","0.1506","0.1419","","","0.3897","0.4066","","","","","","1.646","","","","has coordinates","230727","2020-10-21","18:00:00",""
"7156221","14.218","0.005","20.122","0.006","21.975","0.007","69.445","0.003","72.044","0.003","82.393","0.003","5598","3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C103 H109 N9 Ni O S2 Zn -","- C103 H109 N9 Ni O S2 Zn -","- C206 H218 N18 Ni2 O2 S4 Zn2 -","2","1","","Smith, Martin J.; Blake, Iain M.; Clegg, William; Anderson, Harry L.","Push-pull quinoidal porphyrins.","Organic & biomolecular chemistry","2018","16","19","3648","3654","10.1039/c8ob00491a","","","0.6932","synchrotron","","0.1556","0.1004","","","0.278","0.3328","","","","","","1.039","","","","has coordinates,has disorder","230727","2020-10-21","18:00:00",""
"7156222","36.962","0.008","14.668","0.003","40.822","0.009","90","","91.783","0.002","90","","22121","8","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H56 N6 S2 -","- C58 H56 N6 S2 -","- C928 H896 N96 S32 -","16","4","","Smith, Martin J.; Blake, Iain M.; Clegg, William; Anderson, Harry L.","Push-pull quinoidal porphyrins.","Organic & biomolecular chemistry","2018","16","19","3648","3654","10.1039/c8ob00491a","","","0.6932","synchrotron","","0.2409","0.2034","","","0.4944","0.5174","","","","","","1.071","","","","has coordinates,has disorder","230727","2020-10-21","18:00:00",""
"7156223","34.85","0.03","13.785","0.011","40.21","0.03","90","","92.378","0.01","90","","19301","3","150","2","150","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C54 H52 N8 -","- C54 H52 N8 -","- C864 H832 N128 -","16","2","","Smith, Martin J.; Blake, Iain M.; Clegg, William; Anderson, Harry L.","Push-pull quinoidal porphyrins.","Organic & biomolecular chemistry","2018","16","19","3648","3654","10.1039/c8ob00491a","","","0.6893","synchrotron","","0.2429","0.1812","","","0.3842","0.4153","","","","","","1.142","","","","has coordinates,has disorder","230727","2020-10-21","18:00:00",""
"7156224","9.3021","0.0009","11.1033","0.0011","11.8279","0.0011","81.577","0.002","80.92","0.001","72.384","0.001","1143.41","0.19","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 Cl2 F3 N O2 -","- C26 H22 Cl2 F3 N O2 -","- C52 H44 Cl4 F6 N2 O4 -","2","1","","Cheng, Bin; Zu, Bing; Li, Yuntong; Tao, Cheng; Zhang, Chen; Wang, Renqi; Li, Yun; Zhai, Hongbin","Synthesis of CF<sub>3</sub>-containing spiro-epoxyoxindoles via the Corey-Chaykovsky reaction of N-alkyl isatins with Ph<sub>2</sub>S<sup>+</sup>CH<sub>2</sub>CF<sub>3</sub>OTf<sup/>.","Organic & biomolecular chemistry","2018","16","19","3564","3567","10.1039/c8ob00602d","","","0.71073","MoKα","","0.0563","0.0512","","","0.1353","0.1395","","","","","","1.028","","","","has coordinates,has disorder","301861","2025-08-22","11:12:38",""
"7156225","9.33","0.004","11.138","0.005","19.656","0.008","90","","95.194","0.008","90","","2034.2","1.5","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 F3 N O2 -","- C25 H20 F3 N O2 -","- C100 H80 F12 N4 O8 -","4","1","","Cheng, Bin; Zu, Bing; Li, Yuntong; Tao, Cheng; Zhang, Chen; Wang, Renqi; Li, Yun; Zhai, Hongbin","Synthesis of CF<sub>3</sub>-containing spiro-epoxyoxindoles via the Corey-Chaykovsky reaction of N-alkyl isatins with Ph<sub>2</sub>S<sup>+</sup>CH<sub>2</sub>CF<sub>3</sub>OTf<sup/>.","Organic & biomolecular chemistry","2018","16","19","3564","3567","10.1039/c8ob00602d","","","0.71073","MoKα","","0.1071","0.0613","","","0.1491","0.1835","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156226","8.7429","0.0004","13.5554","0.0006","21.9361","0.0009","90","","90","","90","","2599.7","0.2","150","2","149.99","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H14 F3 N O2 -","- C14 H14 F3 N O2 -","- C112 H112 F24 N8 O16 -","8","1","","Cheng, Bin; Zu, Bing; Li, Yuntong; Tao, Cheng; Zhang, Chen; Wang, Renqi; Li, Yun; Zhai, Hongbin","Synthesis of CF<sub>3</sub>-containing spiro-epoxyoxindoles via the Corey-Chaykovsky reaction of N-alkyl isatins with Ph<sub>2</sub>S<sup>+</sup>CH<sub>2</sub>CF<sub>3</sub>OTf<sup/>.","Organic & biomolecular chemistry","2018","16","19","3564","3567","10.1039/c8ob00602d","","","1.54178","CuKα","","0.0411","0.0394","","","0.1011","0.1026","","","","","","1.094","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156227","18.8659","0.001","10.1158","0.0004","8.8637","0.0005","90","","99.138","0.006","90","","1670.11","0.15","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 Br N3 -","- C21 H12 Br N3 -","- C84 H48 Br4 N12 -","4","1","","Kopchuk, Dmitry S.; Nikonov, Igor L.; Khasanov, Albert F.; Giri, Kousik; Santra, Sougata; Kovalev, Igor S.; Nosova, Emiliya V.; Gundala, Sravya; Venkatapuram, Padmavathi; Zyryanov, Grigory V.; Majee, Adinath; Chupakhin, Oleg N.","Studies on the interactions of 5-R-3-(2-pyridyl)-1,2,4-triazines with arynes: inverse demand aza-Diels-Alder reaction versus aryne-mediated domino process.","Organic & biomolecular chemistry","2018","16","28","5119","5135","10.1039/c8ob00847g","","","0.7107","MoKα","","0.0792","0.0473","","","0.1155","0.1341","","","","","","1.001","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156228","9.2421","0.0005","17.3468","0.0011","28.1793","0.0014","90","","90","","90","","4517.7","0.4","295","","294","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H22 N4 O2 -","- C28 H22 N4 O2 -","- C224 H176 N32 O16 -","8","1","","Kopchuk, Dmitry S.; Nikonov, Igor L.; Khasanov, Albert F.; Giri, Kousik; Santra, Sougata; Kovalev, Igor S.; Nosova, Emiliya V.; Gundala, Sravya; Venkatapuram, Padmavathi; Zyryanov, Grigory V.; Majee, Adinath; Chupakhin, Oleg N.","Studies on the interactions of 5-R-3-(2-pyridyl)-1,2,4-triazines with arynes: inverse demand aza-Diels-Alder reaction versus aryne-mediated domino process.","Organic & biomolecular chemistry","2018","16","28","5119","5135","10.1039/c8ob00847g","","","0.7107","MoKα","","0.2187","0.0624","","","0.1014","0.152","","","","","","0.932","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156229","13.2575","0.0007","15.3061","0.0007","7.8541","0.0003","90","","98.654","0.005","90","","1575.61","0.13","120.01","0.1","120.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 N5 -","- C21 H13 N5 -","- C84 H52 N20 -","4","1","","Kopchuk, Dmitry S.; Nikonov, Igor L.; Khasanov, Albert F.; Giri, Kousik; Santra, Sougata; Kovalev, Igor S.; Nosova, Emiliya V.; Gundala, Sravya; Venkatapuram, Padmavathi; Zyryanov, Grigory V.; Majee, Adinath; Chupakhin, Oleg N.","Studies on the interactions of 5-R-3-(2-pyridyl)-1,2,4-triazines with arynes: inverse demand aza-Diels-Alder reaction versus aryne-mediated domino process.","Organic & biomolecular chemistry","2018","16","28","5119","5135","10.1039/c8ob00847g","","","0.7107","MoKα","","0.0909","0.0524","","","0.1202","0.1391","","","","","","1.002","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156230","9.463","0.0012","9.9221","0.0011","13.5665","0.0016","102.387","0.01","94.259","0.01","98.976","0.01","1221.2","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H12 Cl N -","- C15 H12 Cl N -","- C60 H48 Cl4 N4 -","4","2","","Gattu, Radhakrishna; Bhattacharjee, Suchandra; Mahato, Karuna; Khan, Abu T.","Electronic effect of substituents on anilines favors 1,4-addition to trans-β-nitrostyrenes: access to N-substituted 3-arylindoles and 3-arylindoles.","Organic & biomolecular chemistry","2018","16","20","3760","3770","10.1039/c8ob00736e","","","0.71073","MoKα","","0.132","0.0616","","","0.1418","0.2047","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156231","10.457","0.006","18.104","0.011","11.424","0.007","90","","98.239","0.011","90","","2140","2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 F2 N2 O4 S -","- C24 H20 F2 N2 O4 S -","- C96 H80 F8 N8 O16 S4 -","4","1","","Yang, Xing; Zhang, Feng; Zhou, Yang; Huang, Yi-Yong","Neighboring phenolic group-activated gem-difluoroallylboration of imines for the catalyst-free synthesis of gem-difluorohomoallylamines.","Organic & biomolecular chemistry","2018","16","18","3367","3371","10.1039/c8ob00541a","","","0.71073","MoKα","","0.0969","0.0596","","","0.1309","0.1482","","","","","","1.052","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156233","11.8242","0.0005","5.6357","0.0002","20.6262","0.0008","90","","99.544","0.004","90","","1355.46","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C18 H11 N3 O -","- C18 H11 N3 O -","- C72 H44 N12 O4 -","4","2","","Liu, Xiaozu; Zhou, Yuxiang; Chen, Guojun; Yang, Zhongqin; Li, Qin; Liu, Peijun","Iodine-catalyzed oxidative annulation of 3-cyanoacetylindoles with benzylamines: facile access to 5-(3-indolyl)oxazoles.","Organic & biomolecular chemistry","2018","16","19","3572","3575","10.1039/c8ob00833g","","x-ray","1.54184","CuKα","","0.1427","0.1363","","","0.3392","0.3537","","","","","","1.564","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156234","10.7721","0.0007","9.4199","0.0006","14.3014","0.0008","90","","107.313","0.004","90","","1385.44","0.15","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 Br N3 O -","- C15 H12 Br N3 O -","- C60 H48 Br4 N12 O4 -","4","1","","Liao, Zhen-Yuan; Yeh, Wen-Hsiung; Liao, Pen-Yuan; Liu, Yu-Ting; Chen, Ying-Cheng; Chen, Yi-Hung; Hsieh, Tsung-Han; Lin, Chia-Chi; Lu, Ming-Hsuan; Chen, Yi-Song; Hsu, Ming-Chih; Li, Tsai-Kun; Chien, Tun-Cheng","Regioselective synthesis and biological evaluation of N-substituted 2-aminoquinazolin-4-ones.","Organic & biomolecular chemistry","2018","16","24","4482","4494","10.1039/c8ob00624e","","","0.71073","MoKα","","0.0634","0.0429","","","0.1144","0.1255","","","","","","1.022","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156235","6.4056","0.0002","22.7204","0.0007","9.3434","0.0003","90","","100.885","0.002","90","","1335.35","0.07","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 Br N3 O -","- C15 H12 Br N3 O -","- C60 H48 Br4 N12 O4 -","4","1","","Liao, Zhen-Yuan; Yeh, Wen-Hsiung; Liao, Pen-Yuan; Liu, Yu-Ting; Chen, Ying-Cheng; Chen, Yi-Hung; Hsieh, Tsung-Han; Lin, Chia-Chi; Lu, Ming-Hsuan; Chen, Yi-Song; Hsu, Ming-Chih; Li, Tsai-Kun; Chien, Tun-Cheng","Regioselective synthesis and biological evaluation of N-substituted 2-aminoquinazolin-4-ones.","Organic & biomolecular chemistry","2018","16","24","4482","4494","10.1039/c8ob00624e","","","0.71073","MoKα","","0.0332","0.0258","","","0.0762","0.0914","","","","","","1.201","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156236","8.9209","0.0003","9.161","0.0003","12.7949","0.0004","101.938","0.002","106.434","0.003","107.197","0.003","908.67","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H16 N2 O -","- C26 H16 N2 O -","- C52 H32 N4 O2 -","2","1","","Sun, Hongwei; Tang, Shi; Li, Dengke; Zhou, Yali; Huang, Jinbo; Zhu, Qiang","Cascade double isocyanide insertion and C-N coupling of 2-iodo-2'-isocyano-1,1'-biphenyls.","Organic & biomolecular chemistry","2018","16","21","3893","3896","10.1039/c8ob00956b","","","1.54184","CuKα","","0.0527","0.0457","","","0.1501","0.1563","","","","","","1.214","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156237","5.834","0.0006","36.798","0.004","8.5249","0.0009","90","","103.941","0.003","90","","1776.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 N3 O2 -","- C21 H17 N3 O2 -","- C84 H68 N12 O8 -","4","1","","Zhang, Wenzheng; Xu, Guangyang; Qiu, Lin; Sun, Jiangtao","Gold-catalyzed C5-alkylation of indolines and sequential oxidative aromatization: access to C5-functionalized indoles.","Organic & biomolecular chemistry","2018","16","21","3889","3892","10.1039/c8ob00826d","","","0.71073","MoKα","","0.1431","0.1017","","","0.2102","0.2301","","","","","","1.12","","","","has coordinates,has disorder","301861","2025-08-22","11:12:38",""
"7156238","21.157","0.006","6.917","0.002","20.174","0.006","90","","98","0.03","90","","2923.6","1.5","293","","293","","","","","","","","see text","5","C 1 2 1","C 2y","5","compound 23","(1R,R~p~)-(1',3',5'(10')-estratrien-3'-ylmethyl) ethyl (1-hydroxy-2-methylsulfanyl-1-phenylethyl)phosphonate","","- C30 H41 O4 P S -","- C30 H41 O4 P S -","- C120 H164 O16 P4 S4 -","4","1","","Prechelmacher, Susanne; Mereiter, Kurt; Hammerschmidt, Friedrich","The α-hydroxyphosphonate-phosphate rearrangement of a noncyclic substrate - some new observations.","Organic & biomolecular chemistry","2018","16","19","3672","3680","10.1039/c8ob00419f","","x-ray","0.71073","MoKα","","0.0558","0.0441","","","0.1031","0.1197","","","","","","1.067","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156239","13.339","0.005","18.203","0.006","18.304","0.007","106.445","0.004","110.829","0.006","95.262","0.006","3891","2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C99 H100 N2 O3 -","- C99 H100 N2 O3 -","- C198 H200 N4 O6 -","2","1","","Suzuki, Shin; Asako, Takashi; Itami, Kenichiro; Yamaguchi, Junichiro","Modular synthesis of heptaarylindole.","Organic & biomolecular chemistry","2018","16","20","3771","3776","10.1039/c8ob00993g","","","0.71075","MoKα","","0.2317","0.0936","","","0.2036","0.286","","","","","","1.019","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156240","14.816","0.005","28.03","0.008","12.06","0.004","90","","113.633","0.007","90","","4588","3","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H47 N3 O5 S -","- C56 H47 N3 O5 S -","- C224 H188 N12 O20 S4 -","4","1","","Suzuki, Shin; Asako, Takashi; Itami, Kenichiro; Yamaguchi, Junichiro","Modular synthesis of heptaarylindole.","Organic & biomolecular chemistry","2018","16","20","3771","3776","10.1039/c8ob00993g","","","0.71075","MoKα","","0.0503","0.036","","","0.0871","0.0952","","","","","","1.014","","","","has coordinates,has disorder","230767","2020-10-21","18:00:00",""
"7156241","11.365","0.002","13.805","0.002","25.674","0.004","90","","92.439","0.004","90","","4024.4","1.1","143","","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H44 Cl3 N O -","- C47 H44 Cl3 N O -","- C188 H176 Cl12 N4 O4 -","4","1","","Suzuki, Shin; Asako, Takashi; Itami, Kenichiro; Yamaguchi, Junichiro","Modular synthesis of heptaarylindole.","Organic & biomolecular chemistry","2018","16","20","3771","3776","10.1039/c8ob00993g","","","0.71075","MoKα","","0.1071","0.0671","","","0.1681","0.194","","","","","","1.046","","","","has coordinates,has disorder","301861","2025-08-22","11:12:38",""
"7156242","9.7851","0.0011","10.7442","0.0014","22.106","0.003","103.099","0.007","95.707","0.007","98.173","0.007","2219.6","0.5","123","","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H41 Cl3 F3 N O3 S -","- C50 H41 Cl3 F3 N O3 S -","- C100 H82 Cl6 F6 N2 O6 S2 -","2","1","","Suzuki, Shin; Asako, Takashi; Itami, Kenichiro; Yamaguchi, Junichiro","Modular synthesis of heptaarylindole.","Organic & biomolecular chemistry","2018","16","20","3771","3776","10.1039/c8ob00993g","","","0.71075","MoKα","","0.0712","0.0614","","","0.1657","0.1725","","","","","","1.053","","","","has coordinates,has disorder","301861","2025-08-22","11:12:38",""
"7156243","14.744","0.003","9.8309","0.0015","25.091","0.004","90","","94.077","0.005","90","","3627.7","1.1","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 N2 O3 S -","- C44 H40 N2 O3 S -","- C176 H160 N8 O12 S4 -","4","1","","Suzuki, Shin; Asako, Takashi; Itami, Kenichiro; Yamaguchi, Junichiro","Modular synthesis of heptaarylindole.","Organic & biomolecular chemistry","2018","16","20","3771","3776","10.1039/c8ob00993g","","","0.71075","MoKα","","0.0618","0.0466","","","0.1175","0.1255","","","","","","1.037","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156244","9.0994","0.0006","17.118","0.001","11.3594","0.0009","90","","98.095","0.002","90","","1751.8","0.2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 B4 Cl2 F8 N8 O2 S2 -","- C31 H22 B4 Cl2 F8 N8 O2 S2 -","- C62 H44 B8 Cl4 F16 N16 O4 S4 -","2","0.5","","Duan, Wenzeng; Liu, Qingsong; Huo, Yanmin; Cui, Jichun; Gong, Shuwen; Liu, Zhipeng","AIE-active boron complexes based on benzothiazole-hydrazone chelates.","Organic & biomolecular chemistry","2018","16","27","4977","4984","10.1039/c8ob00755a","","","1.54178","CuKα","","0.1046","0.0831","","","0.237","0.2575","","","","","","1.082","","","","has coordinates","230623","2020-10-21","18:00:00",""
"7156245","10.6491","0.0007","22.7467","0.0013","17.0946","0.001","90","","104.248","0.007","90","","4013.5","0.4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C39 H26 B4 Cl2 F8 N8 O2 S2 -","- C39 H26 B4 Cl2 F8 N8 O2 S2 -","- C156 H104 B16 Cl8 F32 N32 O8 S8 -","4","1","","Duan, Wenzeng; Liu, Qingsong; Huo, Yanmin; Cui, Jichun; Gong, Shuwen; Liu, Zhipeng","AIE-active boron complexes based on benzothiazole-hydrazone chelates.","Organic & biomolecular chemistry","2018","16","27","4977","4984","10.1039/c8ob00755a","","","0.71073","MoKα","","0.1126","0.0678","","","0.1705","0.2083","","","","","","1.035","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156246","13.7279","0.0018","8.6809","0.0013","14.7591","0.0017","90","","105.207","0.012","90","","1697.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 B F2 N4 S -","- C19 H11 B F2 N4 S -","- C76 H44 B4 F8 N16 S4 -","4","1","","Duan, Wenzeng; Liu, Qingsong; Huo, Yanmin; Cui, Jichun; Gong, Shuwen; Liu, Zhipeng","AIE-active boron complexes based on benzothiazole-hydrazone chelates.","Organic & biomolecular chemistry","2018","16","27","4977","4984","10.1039/c8ob00755a","","","0.71073","MoKα","","0.1008","0.0524","","","0.0979","0.1272","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156247","11.0689","0.0006","10.5398","0.0005","25.7733","0.0015","90","","109.097","0.005","90","","2841.3","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 B F2 N4 O0 S -","- C15 H9 B F2 N4 S -","- C120 H72 B8 F16 N32 S8 -","8","2","","Duan, Wenzeng; Liu, Qingsong; Huo, Yanmin; Cui, Jichun; Gong, Shuwen; Liu, Zhipeng","AIE-active boron complexes based on benzothiazole-hydrazone chelates.","Organic & biomolecular chemistry","2018","16","27","4977","4984","10.1039/c8ob00755a","","","1.54184","CuKα","","0.16","0.0834","","","0.2111","0.3081","","","","","","1.038","","","","has coordinates","230623","2020-10-21","18:00:00",""
"7156248","6.4849","0.0005","7.9199","0.0006","21.9097","0.0017","90","","90","","90","","1125.28","0.15","205","","205","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 N O -","- C15 H11 N O -","- C60 H44 N4 O4 -","4","1","","Wang, Zheng; Xu, Ming-Hua","Highly enantioselective synthesis of α-tertiary chiral amino acid derivatives through rhodium-catalyzed asymmetric arylation of cyclic N-sulfonyl α-ketimino esters.","Organic & biomolecular chemistry","2018","16","25","4633","4640","10.1039/c8ob00840j","","","1.54178","CuKα","","0.0273","0.0271","","","0.0676","0.0677","","","","","","1.096","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156249","19.0398","0.0014","8.7917","0.0005","15.4377","0.0011","90","","103.834","0.007","90","","2509.2","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 N3 O6 S -","- C24 H33 N3 O6 S -","- C96 H132 N12 O24 S4 -","4","1","","Bakulina, Olga; Dar'in, Dmitry; Krasavin, Mikhail","Mixed carboxylic-sulfonic anhydride in reaction with imines: a straightforward route to water-soluble β-lactams via a Staudinger-type reaction.","Organic & biomolecular chemistry","2018","16","21","3989","3998","10.1039/c8ob00768c","","","1.5418","CuKα","","0.0673","0.0557","","","0.1369","0.148","","","","","","1.02","","","","has coordinates,has disorder","230835","2020-10-21","18:00:00",""
"7156250","9.843","0.0009","12.3941","0.0011","13.6713","0.0014","75.947","0.006","81.791","0.006","66.836","0.005","1485.4","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H31 N O4 -","- C38 H31 N O4 -","- C76 H62 N2 O8 -","2","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.","Organic & biomolecular chemistry","2018","16","22","4170","4175","10.1039/c8ob00144h","","","0.71073","MoKα","","0.1355","0.0616","","","0.1288","0.1529","","","","","","1.022","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156251","12.6224","0.0006","13.4198","0.0005","18.628","0.0007","69.695","0.001","86.767","0.001","88.299","0.001","2954.4","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H31 N O5 -","- C38 H31 N O5 -","- C152 H124 N4 O20 -","4","2","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.","Organic & biomolecular chemistry","2018","16","22","4170","4175","10.1039/c8ob00144h","","","0.71073","MoKα","","0.2026","0.1272","","","0.3182","0.3784","","","","","","1.083","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156252","14.5654","0.0007","22.655","0.0011","8.9813","0.0004","90","","103.56","0.0015","90","","2881","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H28 Cl N O4 -","- C37 H28 Cl N O4 -","- C148 H112 Cl4 N4 O16 -","4","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.","Organic & biomolecular chemistry","2018","16","22","4170","4175","10.1039/c8ob00144h","","","0.71073","MoKα","","0.112","0.0566","","","0.1165","0.1358","","","","","","1.009","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156253","9.215","0.002","22.358","0.006","17.565","0.004","90","","111.492","0.011","90","","3367.3","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 N2 O4 -","- C36 H28 N2 O4 -","- C144 H112 N8 O16 -","4","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.","Organic & biomolecular chemistry","2018","16","22","4170","4175","10.1039/c8ob00144h","","","0.71073","MoKα","","0.2268","0.0925","","","0.2453","0.3002","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156254","8.9074","0.0018","24.06","0.005","11.549","0.002","90","","112.68","","90","","2283.7","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 N O3 -","- C29 H27 N O3 -","- C116 H108 N4 O12 -","4","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.","Organic & biomolecular chemistry","2018","16","22","4170","4175","10.1039/c8ob00144h","","","0.71073","MoKα","","0.2624","0.1687","","","0.4176","0.4641","","","","","","1.053","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156255","8.7048","0.0008","19.6596","0.0019","22.0693","0.0019","90","","90","","90","","3776.8","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 Br N O3 -","- C22 H20 Br N O3 -","- C176 H160 Br8 N8 O24 -","8","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.","Organic & biomolecular chemistry","2018","16","22","4170","4175","10.1039/c8ob00144h","","","0.71073","MoKα","","0.1146","0.0516","","","0.113","0.1455","","","","","","1.06","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156256","17.485","0.005","23.214","0.007","13.752","0.006","90","","90.437","0.013","90","","5582","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N2 O5 -","- C28 H24 N2 O5 -","- C224 H192 N16 O40 -","8","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.","Organic & biomolecular chemistry","2018","16","22","4170","4175","10.1039/c8ob00144h","","","0.71073","MoKα","","0.2778","0.1179","","","0.2924","0.3805","","","","","","1.009","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156257","15.2237","0.0016","12.7126","0.0013","15.0411","0.0015","90","","119.6","","90","","2531.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Cl2 N2 O3 -","- C28 H26 Cl2 N2 O3 -","- C112 H104 Cl8 N8 O12 -","4","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.","Organic & biomolecular chemistry","2018","16","22","4170","4175","10.1039/c8ob00144h","","","0.71073","MoKα","","0.1457","0.0662","","","0.174","0.2021","","","","","","0.973","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156258","7.3088","0.0004","12.204","0.0006","12.7704","0.0006","110.563","0.0015","96.8007","0.0014","96.6011","0.0016","1043.87","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 N2 O3 -","- C27 H24 N2 O3 -","- C54 H48 N4 O6 -","2","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.","Organic & biomolecular chemistry","2018","16","22","4170","4175","10.1039/c8ob00144h","","","0.71073","MoKα","","0.07","0.0461","","","0.103","0.1143","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156259","12.2787","0.0015","8.6166","0.0011","16.4475","0.0019","90","","103.03","0.005","90","","1695.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C84 H80 N8 O12 -","4","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.","Organic & biomolecular chemistry","2018","16","22","4170","4175","10.1039/c8ob00144h","","","0.71073","MoKα","","0.0823","0.0509","","","0.1071","0.1188","","","","","","1.053","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156260","9.6235","0.0006","13.3554","0.0009","16.7938","0.0009","90","","90","","90","","2158.4","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N2 O6 -","- C23 H22 N2 O6 -","- C92 H88 N8 O24 -","4","1","","Chen, Jin-Quan; Mi, Yang; Shi, Zi-Fa; Cao, Xiao-Ping","Construction of the tetracyclic core of (±)-cycloclavine and 4-amino Uhle's ketone.","Organic & biomolecular chemistry","2018","16","20","3801","3808","10.1039/c7ob03067c","","","0.71073","MoKα","","0.1153","0.0646","","","0.1298","0.1635","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156261","10.1121","0.0007","10.442","0.0006","12.0205","0.0014","95.695","0.008","91.086","0.008","97.671","0.005","1251.02","0.19","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C11 H21 Cl N2 O -","- C11 H21 Cl N2 O -","- C44 H84 Cl4 N8 O4 -","4","2","","Alzahrani, Abdullah; Mirallai, Styliana I.; Chalmers, Benjamin A.; McArdle, Patrick; Aldabbagh, Fawaz","Synthesis of N-[(dialkylamino)methyl]acrylamides and N-[(dialkylamino)methyl]methacrylamides from Schiff base salts: useful building blocks for smart polymers.","Organic & biomolecular chemistry","2018","16","22","4108","4116","10.1039/c8ob00811f","","","0.71073","MoKα","","0.1018","0.0684","","","0.1965","0.2128","","","","","","0.979","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156262","11.319","0.0018","10.9194","0.0016","7.7658","0.001","90","","90.269","0.013","90","","959.8","0.2","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 Cl N O -","- C8 H18 Cl N O -","- C32 H72 Cl4 N4 O4 -","4","1","","Alzahrani, Abdullah; Mirallai, Styliana I.; Chalmers, Benjamin A.; McArdle, Patrick; Aldabbagh, Fawaz","Synthesis of N-[(dialkylamino)methyl]acrylamides and N-[(dialkylamino)methyl]methacrylamides from Schiff base salts: useful building blocks for smart polymers.","Organic & biomolecular chemistry","2018","16","22","4108","4116","10.1039/c8ob00811f","","","0.71073","MoKα","","0.0992","0.0857","","","0.2083","0.2182","","","","","","1.119","","","","has coordinates,has disorder","301861","2025-08-22","11:12:38",""
"7156263","10.2591","0.0006","9.6617","0.0005","30.5377","0.0016","90","","90","","90","","3026.9","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Febrifugine","Febrifugine","","- C16 H19 N3 O3 -","- C16 H19 N3 O3 -","- C128 H152 N24 O24 -","8","1","","Maiden, T. M. M.; Mbelesi, N.; Procopiou, P. A.; Swanson, S.; Harrity, J. P. A.","A convergent strategy towards febrifugine and related compounds.","Organic & biomolecular chemistry","2018","16","22","4159","4169","10.1039/c8ob00935j","","","1.54178","CuKα","","0.1345","0.0784","","","0.0831","0.0889","","","","","","1.517","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156264","10.585","0.002","8.8309","0.0018","15.039","0.003","90","","96.741","0.003","90","","1396.1","0.5","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Cl N4 -","- C15 H15 Cl N4 -","- C60 H60 Cl4 N16 -","4","1","","Jia, Feng-Cheng; Xu, Cheng; Wang, Yu-Wei; Chen, Zhi-Peng; Chen, Yun-Feng; Wu, An-Xin","Copper-catalyzed ambient-temperature decarboxylative annulation of isatins with amidine hydrochlorides: a facile access to 2-(1,3,5-triazin-2-yl)aniline derivatives.","Organic & biomolecular chemistry","2018","16","23","4223","4226","10.1039/c8ob00904j","","","0.71073","MoKα","","0.0784","0.0582","","","0.1829","0.2028","","","","","","1.005","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156265","40.319","0.005","8.136","0.005","8.974","0.005","90","0.005","90","0.005","90","0.005","2944","2","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C30 H26 Br2 Cl0 N4 O2 Pd -","- C30 H26 Br2 N4 O2 Pd -","- C120 H104 Br8 N16 O8 Pd4 -","4","1","","Panyam, Pradeep Kumar Reddy; Sreedharan, Ramdas; Gandhi, Thirumanavelan","Synthesis of topologically constrained naphthalimide appended palladium(ii)-N-heterocyclic carbene complexes - insights into additive controlled product selectivity.","Organic & biomolecular chemistry","2018","16","23","4357","4364","10.1039/c8ob00616d","","","0.71073","MoKα","","0.0421","0.0342","","","0.0708","0.0738","","","","","","1.075","","","","has coordinates","230831","2020-10-21","18:00:00",""
"7156266","21.0973","0.0005","11.579","0.0003","14.9601","0.0004","90","","109.03","0.002","90","","3454.81","0.16","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H112 N2 O8 P2 -","- C72 H112 N2 O8 P2 -","- C144 H224 N4 O16 P4 -","2","0.5","","Iadevaia, Giulia; Núñez-Villanueva, Diego; Stross, Alexander E.; Hunter, Christopher A.","Backbone conformation affects duplex initiation and duplex propagation in hybridisation of synthetic H-bonding oligomers.","Organic & biomolecular chemistry","2018","16","22","4183","4190","10.1039/c8ob00819a","","","0.71073","MoKα","","0.1938","0.154","","","0.4485","0.4875","","","","","","1.904","","","","has coordinates,has disorder","301861","2025-08-22","11:12:38",""
"7156267","5.4408","0.0004","10.1935","0.0009","27.458","0.002","90","","91.789","0.008","90","","1522.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","1","","Zhang, Yixin; Ma, Haojie; Liu, Xingxing; Cui, Xinfeng; Wang, Shaohua; Zhan, Zhenzhen; Pu, Jinghong; Huang, Guosheng","The synthesis of multi-substituted pyrrolidinones via a direct [3 + 2] cycloaddition of azaoxyallyl cations with aromatic ethylenes.","Organic & biomolecular chemistry","2018","16","24","4439","4442","10.1039/c8ob00899j","","","0.71073","MoKα","","0.1325","0.0649","","","0.1389","0.1798","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156268","10.215","0.0009","11.4694","0.0012","12.0747","0.0013","115.285","0.01","93.898","0.008","92.846","0.008","1271.3","0.2","293","2","293","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C24 H32 Br O4 P -","- C24 H32 Br O4 P -","- C48 H64 Br2 O8 P2 -","2","1","","Gupta, Ashis Kumar; Ahamad, Shakir; Vaishanv, Narendra Kumar; Kant, Ruchir; Mohanan, Kishor","Base-mediated 1,6-conjugate addition of the Seyferth-Gilbert reagent to para-quinone methides.","Organic & biomolecular chemistry","2018","16","25","4623","4627","10.1039/c8ob01017j","","","0.71075","MoKα","","0.2108","0.0793","","","0.193","0.2998","","","","","","0.979","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156269","9.947","0.003","15.743","0.004","18.185","0.005","90","","90","","90","","2847.7","1.4","293","2","293","2","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H39 N2 O4 P -","- C27 H39 N2 O4 P -","- C108 H156 N8 O16 P4 -","4","1","","Gupta, Ashis Kumar; Ahamad, Shakir; Vaishanv, Narendra Kumar; Kant, Ruchir; Mohanan, Kishor","Base-mediated 1,6-conjugate addition of the Seyferth-Gilbert reagent to para-quinone methides.","Organic & biomolecular chemistry","2018","16","25","4623","4627","10.1039/c8ob01017j","","","0.71075","MoKα","","0.0719","0.0492","","","0.1194","0.1284","","","","","","0.949","","","","has coordinates","230757","2020-10-21","18:00:00",""
"7156270","7.8543","0.0005","20.6582","0.0009","8.3912","0.0005","90","","116.689","0.008","90","","1216.46","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C H Br0 N O -","- C2.6087 Br0.173913 O0.347826 -","- C60 Br4 O8 -","23","5.75","","Wang, Rui-Xiang; Yuan, Si-Tian; Liu, Jin-Biao; Wu, Jie; Qiu, Guanyinsheng","Regioselective 5-exo-dig oxy-cyclization of 2-alkynylbenzamide for the synthesis of isobenzofuran-1-imines and isobenzofuran.","Organic & biomolecular chemistry","2018","16","24","4501","4508","10.1039/c8ob00779a","","x-ray","1.54184","CuKα","","0.2157","0.2119","","","0.6061","0.6139","","","","","","6.194","","","","has coordinates","230584","2020-10-21","18:00:00",""
"7156271","4.568","0.0003","16.1861","0.0008","15.8035","0.001","90","","115.336","0.007","90","","1056.09","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 F3 N2 O2 -","- C11 H7 F3 N2 O2 -","- C44 H28 F12 N8 O8 -","4","1","","You, Chang; Yuan, Tingting; Huang, Yanzhen; Pi, Chao; Wu, Yangjie; Cui, Xiuling","Rhodium-catalyzed regioselective C8-H amination of quinoline N-oxides with trifluoroacetamide at room temperature.","Organic & biomolecular chemistry","2018","16","25","4728","4733","10.1039/c8ob01108g","","x-ray","1.54184","CuKα","","0.0513","0.0438","","","0.131","0.1427","","","","","","1.04","","","","has coordinates,has disorder","301861","2025-08-22","11:12:38",""
"7156272","9.2521","0.0005","9.8028","0.0005","9.9294","0.0005","75.679","0.001","88.544","0.002","79.757","0.002","858.51","0.08","120","2","120.05","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N O5 -","- C19 H21 N O5 -","- C38 H42 N2 O10 -","2","1","","Chen, Rongxiang; Ogunlana, Abosede Adejoke; Fang, Shangwen; Long, Wenhao; Sun, Hongmei; Bao, Xiaoguang; Wan, Xiaobing","In situ generation of nitrile oxides from copper carbene and tert-butyl nitrite: synthesis of fully substituted isoxazoles.","Organic & biomolecular chemistry","2018","16","25","4683","4687","10.1039/c8ob01067f","","","0.71073","MoKα","","0.0427","0.0368","","","0.1098","0.1212","","","","","","1.151","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156273","6.2246","0.0002","26.4216","0.0012","8.1454","0.0004","90","","93.774","0.003","90","","1336.72","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S*,2S*,3S*,4S*,5S*)-6-butyl-5-(hydroxymethyl)-6-azabicyclo[3.2.0]heptane-2,3,4-triol","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","2","","Malinowski, Maciej; Hensienne, Raphaël; Kern, Nicolas; Tardieu, Damien; Bodlenner, Anne; Hazelard, Damien; Compain, Philippe","Stereocontrolled synthesis of polyhydroxylated bicyclic azetidines as a new class of iminosugars.","Organic & biomolecular chemistry","2018","16","25","4688","4700","10.1039/c8ob01065j","","","1.54178","CuKα","","0.1035","0.0902","","","0.2406","0.2501","","","","","","1.117","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156274","10.5259","0.0011","10.5345","0.0011","10.834","0.0011","91.068","0.006","104.536","0.007","100.359","0.007","1141.4","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 N2 O5 S -","- C26 H24 N2 O5 S -","- C52 H48 N4 O10 S2 -","2","1","","de la Concepción, Juan García; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","On the dual reactivity of a Janus-type mesoionic dipole: experiments and theoretical validation.","Organic & biomolecular chemistry","2018","16","26","4778","4783","10.1039/c8ob01195h","","x-ray","1.54187","CuKα","","0.1098","0.0839","","","0.2221","0.2507","","","","","","1.133","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156275","11.8735","0.0003","18.6709","0.0004","11.878","0.0003","90","","90","","90","","2633.22","0.11","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C31 H27 N3 O4 S -","- C31 H27 N3 O4 S -","- C124 H108 N12 O16 S4 -","4","1","","de la Concepción, Juan García; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","On the dual reactivity of a Janus-type mesoionic dipole: experiments and theoretical validation.","Organic & biomolecular chemistry","2018","16","26","4778","4783","10.1039/c8ob01195h","","x-ray","0.71073","MoKα","","0.0315","0.0295","","","0.0712","0.0723","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156276","7.5123","0.0003","12.1628","0.0006","12.1719","0.0004","63.522","0.001","79.736","0.001","89.681","0.002","976.11","0.07","303","2","303","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 Br O4 S -","- C20 H19 Br O4 S -","- C40 H38 Br2 O8 S2 -","2","1","","Hou, Yading; Zhang, Yuwen; Tong, Xiaofeng","Phosphine-catalysed α-umpolung addition of nucleophiles to δ-acetoxy allenoates: stereoselective synthesis of 2,4-dienoates.","Organic & biomolecular chemistry","2018","16","29","5245","5249","10.1039/c8ob00933c","","","0.71073","MoKα","","0.0978","0.0427","","","0.0926","0.1121","","","","","","1.016","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156277","17.9063","0.0005","21.5998","0.0006","33.6902","0.0009","90","","90","","90","","13030.4","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","compound 6a","[nBu4N][(N?-(hydroxy-kappaO)-N-{2-(hydroxy-kappaO)phenyl}-2-methyl?propan?imid-amidato-kappaN)(phenyl)borate]","","- C32 H52 B N3 O2 -","- C32 H52 B N3 O2 -","- C512 H832 B16 N48 O32 -","16","2","","Boghi, Michele; Hall, Dennis G.","Valdecoxib vs. borazavaldecoxib: isoxazole BN/CC isosterism as a case study in designing and stabilizing boron heterocycles.","Organic & biomolecular chemistry","2018","16","26","4849","4856","10.1039/c8ob00998h","","","1.54178","CuKα","","0.1221","0.074","","","0.2023","0.2436","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156278","8.9","0.0002","9.5626","0.0003","15.9864","0.0005","90","","98.4476","0.001","90","","1345.8","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","compound 7","3,7a-Diphenyl-5,6-dihydro[1,3]oxazolo[3,2-d][1,2,4]oxadiazole","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C64 H56 N8 O8 -","4","1","","Boghi, Michele; Hall, Dennis G.","Valdecoxib vs. borazavaldecoxib: isoxazole BN/CC isosterism as a case study in designing and stabilizing boron heterocycles.","Organic & biomolecular chemistry","2018","16","26","4849","4856","10.1039/c8ob00998h","","","1.54178","CuKα","","0.0409","0.0403","","","0.1058","0.1064","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156279","9.7871","0.0003","17.5209","0.0004","19.0833","0.0005","90","","94.1963","0.0016","90","","3263.61","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","compound 6b","Tetra-n-butylammonium {N?-(hydroxy-kappaO)-N-{2-(hydroxy-kappaO)phenyl}-benzene?carboximidamidato-kappaN}(phenyl)borate","","- C35 H50 B N3 O2 -","- C35 H50 B N3 O2 -","- C140 H200 B4 N12 O8 -","4","1","","Boghi, Michele; Hall, Dennis G.","Valdecoxib vs. borazavaldecoxib: isoxazole BN/CC isosterism as a case study in designing and stabilizing boron heterocycles.","Organic & biomolecular chemistry","2018","16","26","4849","4856","10.1039/c8ob00998h","","","1.54178","CuKα","","0.0727","0.0624","","","0.1706","0.1793","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156280","12.7713","0.0002","7.9352","0.00014","17.9462","0.0003","90","","94.7903","0.0007","90","","1812.37","0.05","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","compound 2","4-(2-methyl-4-phenyl-1,3,5,2-oxadiazaborol-3(2H)-yl)benzenesulfonamide","","- C17 H21 B N3 O3 S -","- C17 H21 B N3 O3 S -","- C68 H84 B4 N12 O12 S4 -","4","1","","Boghi, Michele; Hall, Dennis G.","Valdecoxib vs. borazavaldecoxib: isoxazole BN/CC isosterism as a case study in designing and stabilizing boron heterocycles.","Organic & biomolecular chemistry","2018","16","26","4849","4856","10.1039/c8ob00998h","","","1.54178","CuKα","","0.0579","0.0553","","","0.1678","0.1704","","","","","","1.08","","","","has coordinates,has disorder","301861","2025-08-22","11:12:38",""
"7156281","5.6897","0.0003","11.2486","0.0005","45.457","0.002","90","","90","","90","","2909.3","0.2","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H44 Br N O4 S -","- C28 H44 Br N O4 S -","- C112 H176 Br4 N4 O16 S4 -","4","1","","Guerola, Marta; Escolano, Marcos; Alzuet-Piña, Gloria; Gómez-Bengoa, Enrique; Ramírez de Arellano, Carmen; Sánchez-Roselló, María; Del Pozo, Carlos","Synthesis of substituted piperidines by enantioselective desymmetrizing intramolecular aza-Michael reactions.","Organic & biomolecular chemistry","2018","16","25","4650","4658","10.1039/c8ob01139g","","","0.71073","MoKα","","0.0865","0.0663","","","0.1092","0.117","","","","","","1.154","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156282","19.497","0.005","8.597","0.002","19.553","0.004","90","","90","","90","","3277.4","1.3","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H19 N3 O -","- C20 H19 N3 O -","- C160 H152 N24 O8 -","8","1","","Kumar, Avnish; Tiwari, Dharmendra Kumar; Sridhar, Balasubramanian; Likhar, Pravin R.","Unprecedented synthesis of 1,2,3-triazolo-cinnolinone via Sonogashira coupling and intramolecular cyclization.","Organic & biomolecular chemistry","2018","16","26","4840","4848","10.1039/c8ob01152d","","","0.71073","MoKα","","0.053","0.044","","","0.1133","0.1199","","","","","","1.047","","","","has coordinates","230700","2020-10-21","18:00:00",""
"7156283","12.1505","0.0014","10.471","0.0013","10.2881","0.0014","90","","90","","90","","1308.9","0.3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C10 H10 F2 N4 O8 -","- C10 H10 F2 N4 O8 -","- C40 H40 F8 N16 O32 -","4","0.5","","Zhang, Jian; Ling, Yi-Fei; Wang, Gui-Xiang; Zhang, Lin; Luo, Jun","Synthesis of two new gem-fluoronitro containing tetranitroadamantanes and property comparison with their nitro and gem-dinitro analogues.","Organic & biomolecular chemistry","2018","16","26","4784","4788","10.1039/c8ob01140k","","","0.71073","MoKα","","0.0593","0.0509","","","0.1354","0.142","","","","","","1.067","","","","has coordinates","230699","2020-10-21","18:00:00",""
"7156284","25.58","0.02","7.18","0.005","16.94","0.015","90","","125.27","0.03","90","","2540","4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H38 N2 O3 S -","- C25 H38 N2 O3 S -","- C100 H152 N8 O12 S4 -","4","1","","Kennington, Stuart C. D.; Gómez-Palomino, Alejandro; Salomó, Ernest; Romea, Pedro; Urpí, Fèlix; Font-Bardia, Mercè","General and stereoselective aminoxylation of biradical titanium(iv) enolates with TEMPO: a detailed study on the effect of the chiral auxiliary.","Organic & biomolecular chemistry","2018","16","26","4807","4815","10.1039/c8ob01074a","","","0.71073","MoKα","","0.0631","0.052","","","0.1416","0.1499","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156285","7.3579","0.0003","8.8158","0.0004","15.8511","0.0007","85.431","0.001","88.543","0.001","72.739","0.001","978.77","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H16 Br N3 O5 S -","- C19 H16 Br N3 O5 S -","- C38 H32 Br2 N6 O10 S2 -","2","1","","Zhao, Mei-Xin; Dong, Zhi-Wen; Zhu, Guang-Yu; Zhao, Xiao-Li; Shi, Min","Diastereo- and enantioselective Mannich/cyclization cascade reaction of isocyanoacetates with cyclic sulfamide ketimines by cinchona alkaloid squaramide/AgOAc cooperative catalysis.","Organic & biomolecular chemistry","2018","16","25","4641","4649","10.1039/c8ob01090k","","","0.71073","MoKα","","0.0397","0.0342","","","0.0907","0.0941","","","","","","1.057","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156286","10.1449","0.0002","11.6133","0.0003","40.0056","0.0009","90","","90","","90","","4713.29","0.19","302","2","301.85","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 1-((4,4-dimethyl-3-phenyl-4,5-dihydroisoxazol-5-yl)methyl)-4-phenylisoquinoline-3-carboxylate","","- C29 H26 N2 O3 -","- C29 H26 N2 O3 -","- C232 H208 N16 O24 -","8","1","","Xu, Yulong; Chen, Hao; Li, Wei; Xie, Qiong; Yu, Linqian; Shao, Liming","Synthetic access to isoxazoline-functionalized isoquinolines via microwave-assisted iminoxyl radical-participated cascade cyclization of vinyl isocyanides.","Organic & biomolecular chemistry","2018","16","27","4996","5005","10.1039/c8ob01229f","","","1.54178","CuKα","","0.0668","0.051","","","0.1284","0.1408","","","","","","1.021","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156287","10.471","0.004","10.038","0.003","13.551","0.005","90","","101.028","0.005","90","","1398","0.9","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N3 O3 S -","- C14 H11 N3 O3 S -","- C56 H44 N12 O12 S4 -","4","1","","Wang, Qijun; Wang, Chang; Shi, Wangyu; Xiao, Yumei; Guo, Hongchao","Pd-Catalyzed diastereoselective [3 + 2] cycloaddition of vinylcyclopropanes with sulfamate-derived cyclic imines.","Organic & biomolecular chemistry","2018","16","26","4881","4887","10.1039/c8ob01231h","","","0.71073","MoKα","","0.0595","0.0545","","","0.124","0.1274","","","","","","1.138","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156288","6.2383","0.0001","15.367","0.0002","32.9494","0.0005","90","","90","","90","","3158.66","0.08","100","2","100","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H40 Cl N3 Ni O4 -","- C36 H40 Cl N3 Ni O4 -","- C144 H160 Cl4 N12 Ni4 O16 -","4","1","","Takeda, Ryosuke; Kawamura, Akie; Kawashima, Aki; Sato, Tatsunori; Moriwaki, Hiroki; Izawa, Kunisuke; Abe, Hidenori; Soloshonok, Vadim A.","Second-order asymmetric transformation and its application for the practical synthesis of α-amino acids.","Organic & biomolecular chemistry","2018","16","27","4968","4972","10.1039/c8ob00963e","","x-ray","1.54184","CuKα","","0.0308","0.0288","","","0.0691","0.0702","","","","","","1.043","","","","has coordinates","230624","2020-10-21","18:00:00",""
"7156289","10.287","0.002","11.291","0.002","20.866","0.004","90","","90","","90","","2423.6","0.8","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H14 O4 -","- C15 H14 O4 -","- C120 H112 O32 -","8","1","","Hsu, Day-Shin; Liou, Chang-Yan","Total synthesis and structural revision of (±)-nidemone.","Organic & biomolecular chemistry","2018","16","27","4990","4995","10.1039/c8ob01207e","","","0.71073","MoKα","","0.0506","0.0406","","","0.1168","0.1315","","","","","","1.09","","","","has coordinates","230622","2020-10-21","18:00:00",""
"7156290","14.1176","0.0003","22.1778","0.0004","11.231","0.0002","90","","100.087","0.0019","90","","3462.05","0.12","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H40 F24 N4 P4 -","- C56 H40 F24 N4 P4 -","- C112 H80 F48 N8 P8 -","2","0.5","","Chen, Long; Lim, Kate J. C.; Babra, Tahkur S.; Taylor, James O.; PiŽl, Martin; Evans, Robert; Chippindale, Ann M.; Hartl, František; Colquhoun, Howard M.; Greenland, Barnaby W.","A macrocyclic receptor containing two viologen species connected by conjugated terphenyl groups.","Organic & biomolecular chemistry","2018","16","27","5006","5015","10.1039/c8ob00919h","","","1.5418","CuKα","","0.0883","0.076","","0.0895","0.0847","0.083","","","","","","0.9403","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156291","23.0931","0.0006","6.0038","0.0002","29.114","0.0007","90","","99.674","0.001","90","","3979.15","0.19","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H28 N2 O2 -","- C21 H28 N2 O2 -","- C168 H224 N16 O16 -","8","1","","Wei, Yuanyuan; Wang, Jie; Wang, Yajun; Yao, Xiaoqiang; Yang, Caixia; Huo, Congde","Auto-oxidation promoted sp<sup>3</sup> C-H arylation of glycine derivatives.","Organic & biomolecular chemistry","2018","16","27","4985","4989","10.1039/c8ob01068d","","","0.71073","MoKα","","0.0737","0.0552","","","0.1524","0.1624","","","","","","0.986","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156292","8.8458","0.0007","12.0478","0.0009","13.9043","0.001","89.408","0.006","83.302","0.006","72.134","0.007","1400.22","0.19","108.5","0.5","108.5","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C31 H25 B Cl2 F4 N2 -","- C31 H25 B Cl2 F4 N2 -","- C62 H50 B2 Cl4 F8 N4 -","2","1","","Wang, Zhuo; Li, Tongyu; Xing, Siyang; Zhu, Bolin","Facile and practical synthesis of β-carbolinium salts and γ-carbolinium salts via rhodium-catalyzed three-component reactions.","Organic & biomolecular chemistry","2018","16","27","5021","5026","10.1039/c8ob01182f","","x-ray","0.71073","MoKα","","0.0865","0.0502","","","0.0968","0.1089","","","","","","1.016","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156293","7.5213","0.0002","16.0289","0.0005","17.7564","0.0006","90","","91.742","0.003","90","","2139.69","0.11","135","0.1","135","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H26 Cl Ir N2 -","- C25 H26 Cl Ir N2 -","- C100 H104 Cl4 Ir4 N8 -","4","2","","Wang, Zhuo; Li, Tongyu; Xing, Siyang; Zhu, Bolin","Facile and practical synthesis of β-carbolinium salts and γ-carbolinium salts via rhodium-catalyzed three-component reactions.","Organic & biomolecular chemistry","2018","16","27","5021","5026","10.1039/c8ob01182f","","x-ray","0.71073","MoKα","","0.0358","0.0316","","","0.0487","0.0504","","","","","","1.011","","","","has coordinates","230619","2020-10-21","18:00:00",""
"7156294","13.7632","0.0009","12.7539","0.0009","16.2519","0.0013","90","","99.002","0.007","90","","2817.6","0.4","135","0.1","135","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 Cl2 F6 N2 P -","- C30 H23 Cl2 F6 N2 P -","- C120 H92 Cl8 F24 N8 P4 -","4","1","","Wang, Zhuo; Li, Tongyu; Xing, Siyang; Zhu, Bolin","Facile and practical synthesis of β-carbolinium salts and γ-carbolinium salts via rhodium-catalyzed three-component reactions.","Organic & biomolecular chemistry","2018","16","27","5021","5026","10.1039/c8ob01182f","","x-ray","0.71073","MoKα","","0.1155","0.0775","","","0.1685","0.1937","","","","","","1.034","","","","has coordinates,has disorder","301861","2025-08-22","11:12:38",""
"7156295","11.66","0.014","12.07","0.009","18.027","0.013","90","","100.58","0.07","90","","2494","4","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 O4 Si -","- C26 H32 O4 Si -","- C104 H128 O16 Si4 -","4","1","","Acharyya, Ranjan Kumar; Nanda, Samik","Asymmetric total synthesis of naturally occurring spirocyclic tetranorsesquiterpenoid lanceolactone A.","Organic & biomolecular chemistry","2018","16","27","5027","5035","10.1039/c8ob01328d","","","0.71073","MoKα","","0.1092","0.0499","","","0.1272","0.1623","","","","","","0.894","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156296","17.347","0.002","8.8962","0.0015","14.148","0.002","90","","112.523","0.014","90","","2016.8","0.5","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 B F5 N3 O S -","- C20 H17 B F5 N3 O S -","- C80 H68 B4 F20 N12 O4 S4 -","4","1","","Lugovik, Kseniya I.; Eltyshev, Alexander K.; Suntsova, Polina O.; Smoluk, Leonid T.; Belousova, Anna V.; Ulitko, Maria V.; Minin, Artem S.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.","Fluorescent boron complexes based on new N,O-chelates as promising candidates for flow cytometry.","Organic & biomolecular chemistry","2018","16","28","5150","5162","10.1039/c8ob00868j","","","0.71073","MoKα","","0.207","0.05","","","0.0888","0.1009","","","","","","1","","","","has coordinates,has disorder","230577","2020-10-21","18:00:00",""
"7156297","15.5285","0.0011","12.2909","0.0009","18.3647","0.0013","90","","90","","90","","3505.1","0.4","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H18 Cl N O3 S -","- C19 H18 Cl N O3 S -","- C152 H144 Cl8 N8 O24 S8 -","8","1","","Maheshwar Rao, B.; Yadav, J. S.; Sridhar, B.; Subba Reddy, B. V.","Silver(i)-catalyzed sequential hydroamination and Prins type cyclization for the synthesis of fused benzo-δ-sultams.","Organic & biomolecular chemistry","2018","16","28","5163","5166","10.1039/c8ob00918j","","","0.71073","MoKα","","0.0649","0.0575","","","0.1637","0.1716","","","","","","1.062","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156301","8.0402","0.0017","9.8828","0.0018","13.696","0.002","99.883","0.015","90.997","0.015","109.551","0.018","1007","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H27 N3 O2 -","- C22 H27 N3 O2 -","- C44 H54 N6 O4 -","2","1","","Bąk, Krzysztof M; Chabuda, Krzysztof; Montes, Helena; Quesada, Roberto; Chmielewski, Michał J","1,8-Diamidocarbazoles: an easily tuneable family of fluorescent anion sensors and transporters.","Organic & biomolecular chemistry","2018","16","28","5188","5196","10.1039/c8ob01031e","","","0.71073","MoKα","","0.1095","0.0485","","","0.1226","0.1717","","","","","","0.888","","","","has coordinates,has disorder","301861","2025-08-22","11:12:38",""
"7156302","9.955","0.002","15.804","0.003","13.546","0.002","90","","108.143","0.016","90","","2025.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N3 O2 -","- C26 H19 N3 O2 -","- C104 H76 N12 O8 -","4","1","","Bąk, Krzysztof M; Chabuda, Krzysztof; Montes, Helena; Quesada, Roberto; Chmielewski, Michał J","1,8-Diamidocarbazoles: an easily tuneable family of fluorescent anion sensors and transporters.","Organic & biomolecular chemistry","2018","16","28","5188","5196","10.1039/c8ob01031e","","","0.71073","MoKα","","0.1626","0.0694","","","0.1651","0.2267","","","","","","0.915","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156303","8.6576","0.0005","15.744","0.0009","16.1197","0.0009","89.599","0.004","78.285","0.005","84.114","0.005","2139.9","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H60 N4 O4 -","- C49 H60 N4 O4 -","- C98 H120 N8 O8 -","2","1","","Bąk, Krzysztof M; Chabuda, Krzysztof; Montes, Helena; Quesada, Roberto; Chmielewski, Michał J","1,8-Diamidocarbazoles: an easily tuneable family of fluorescent anion sensors and transporters.","Organic & biomolecular chemistry","2018","16","28","5188","5196","10.1039/c8ob01031e","","","0.71073","MoKα","","0.0639","0.048","","","0.1309","0.157","","","","","","1.063","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156304","13.6871","0.0008","18.5215","0.0011","18.0498","0.001","90","","108.711","0.005","90","","4333.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H68 N4 O4 -","- C45 H68 N4 O4 -","- C180 H272 N16 O16 -","4","1","","Bąk, Krzysztof M; Chabuda, Krzysztof; Montes, Helena; Quesada, Roberto; Chmielewski, Michał J","1,8-Diamidocarbazoles: an easily tuneable family of fluorescent anion sensors and transporters.","Organic & biomolecular chemistry","2018","16","28","5188","5196","10.1039/c8ob01031e","","","0.71073","MoKα","","0.0796","0.0495","","","0.1247","0.1561","","","","","","1.046","","","","has coordinates,has disorder","301861","2025-08-22","11:12:38",""
"7156305","9.683","0.003","21.363","0.006","14.386","0.004","90","","109.097","0.003","90","","2812.1","1.4","173","2","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H39 N2 O3 -","- C33 H39 N2 O3 -","- C132 H156 N8 O12 -","4","1","","Liu, Qi; Liu, Jie-Jie; Cheng, Liang; Wang, Dong; Liu, Li","TEMPO promoted direct multi-functionalization of terminal alkynes with 2-oxindoles/benzofuran-2(3H)-one.","Organic & biomolecular chemistry","2018","16","29","5228","5231","10.1039/c8ob01380b","","","0.71073","MoKα","","0.0826","0.0748","","","0.1671","0.1726","","","","","","1.178","","","","has coordinates","230575","2020-10-21","18:00:00",""
"7156306","13.5505","0.0019","14.85","0.002","16.762","0.002","90","","90","","90","","3372.9","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H46 N4 O3 S2 -","- C34 H46 N4 O3 S2 -","- C136 H184 N16 O12 S8 -","4","1","","Huang, Yin-Hui; Jin, Xian-Yi; Zhao, Yong-Yi; Cong, Hang; Tao, Zhu","A fluorescence-enhanced chemosensor based on multifarene[2,2] and its recognition of metal cations.","Organic & biomolecular chemistry","2018","16","29","5343","5349","10.1039/c8ob01315b","","","0.71073","MoKα","","0.1665","0.1028","","","0.256","0.3001","","","","","","1.065","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156307","7.8053","0.0018","8.2606","0.0017","11.869","0.002","91.064","0.017","108.89","0.02","113.92","0.02","651.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-(3-(3-nitro-2H-indazol-2-yl)phenyl)ethanone","","- C15 H11 N3 O3 -","- C15 H11 N3 O3 -","- C30 H22 N6 O6 -","2","1","","Murugan, Arumugavel; Gorantla, Koteswar Rao; Mallik, Bhabani S.; Sharada, Duddu S.","Iron promoted C3-H nitration of 2H-indazole: direct access to 3-nitro-2H-indazoles.","Organic & biomolecular chemistry","2018","16","28","5113","5118","10.1039/c8ob00931g","","","0.71073","MoKα","","0.1431","0.0643","","","0.106","0.1402","","","","","","1.0545","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156308","8.7773","0.0004","16.6542","0.0008","21.9525","0.001","90","","90","","90","","3209","0.3","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H38 N2 O -","- C43 H38 N2 O -","- C172 H152 N8 O4 -","4","1","","Wu, Jia-Le; Wang, Cong-Shuai; Wang, Jin-Rong; Mei, Guang-Jian; Shi, Feng","A catalytic asymmetric interrupted Nazarov-type cyclization of 2-indolylmethanols with cyclic enaminones.","Organic & biomolecular chemistry","2018","16","30","5457","5464","10.1039/c8ob01427b","","","1.34139","GaKα","","0.0421","0.0366","","","0.0814","0.085","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156309","9.541","0.003","14.222","0.004","12.432","0.003","90","","110.54","0.03","90","","1579.7","0.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","biphenyl","4'-Bromo-3-piperidin-1-yl-biphenyl-4-carbonitrile","","- C18 H17 Br N2 -","- C18 H17 Br N2 -","- C72 H68 Br4 N8 -","4","1","","Yadav, Pratik; Shaw, Ranjay; Elagamy, Amr; Kumar, Abhinav; Pratap, Ramendra","Base controlled diverse reactivity of allyl cyanide for synthesis of multi-substituted benzenes.","Organic & biomolecular chemistry","2018","16","30","5465","5473","10.1039/c8ob01270a","","","0.71073","MoKα","","0.1354","0.065","","","0.1571","0.1983","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156310","11.8968","0.0011","18.4254","0.0017","10.7033","0.0008","90","","103.556","0.008","90","","2280.8","0.4","293","2","293","2","","","","","","","Synthesis","5","P 1 21/c 1","-P 2ybc","14","","Unknown","","- C23 H25 F N3 O4 -","- C23 H25 F N3 O4 -","- C92 H100 F4 N12 O16 -","4","1","","Mukhopadhyay, Soumendranath; Pan, Subhas Chandra","An organocatalytic asymmetric Mannich reaction for the synthesis of 3,3-disubstituted-3,4-dihydro-2-quinolones.","Organic & biomolecular chemistry","2018","16","30","5407","5411","10.1039/c8ob01399c","","x-ray","0.71073","MoKα","","0.0982","0.0567","","","0.1208","0.1468","","","","","","1.051","","","","has coordinates","230803","2020-10-21","18:00:00",""
"7156311","8.139","0.003","13.44","0.004","13.65","0.005","102.732","0.005","104.959","0.005","107.249","0.005","1304.4","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23.5 H28 Cl3 N3 O6 S2 -","- C23.5 H28 Cl3 N3 O6 S2 -","- C47 H56 Cl6 N6 O12 S4 -","2","1","","Liu, Guotao; Chen, Weijie; Xu, Zhiqiang; Ye, Fengying; Pan, Yingle; Chen, Xiaoqiang; Liu, Sheng Hua; Zeng, Lintao; Yin, Jun","Regulating glutathione-responsiveness of naphthalimide-based fluorescent probes by an oxidation strategy.","Organic & biomolecular chemistry","2018","16","30","5517","5523","10.1039/c8ob01258j","","","0.71073","MoKα","","0.0873","0.0695","","","0.1896","0.2048","","","","","","1.057","","","","has coordinates,has disorder","301861","2025-08-22","11:12:38",""
"7156312","9.0264","0.0016","9.0426","0.0016","17.336","0.003","76.843","0.003","80.437","0.003","65.448","0.003","1249.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H27 Cl2 N3 O5 S2 -","- C23 H27 Cl2 N3 O5 S2 -","- C46 H54 Cl4 N6 O10 S4 -","2","1","","Liu, Guotao; Chen, Weijie; Xu, Zhiqiang; Ye, Fengying; Pan, Yingle; Chen, Xiaoqiang; Liu, Sheng Hua; Zeng, Lintao; Yin, Jun","Regulating glutathione-responsiveness of naphthalimide-based fluorescent probes by an oxidation strategy.","Organic & biomolecular chemistry","2018","16","30","5517","5523","10.1039/c8ob01258j","","","0.71073","MoKα","","0.0939","0.0762","","","0.2196","0.2441","","","","","","1.069","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156313","11.6879","0.0008","18.2014","0.0011","8.4879","0.0004","90","","102.767","0.005","90","","1761.04","0.18","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 N O3 S -","- C18 H25 N O3 S -","- C72 H100 N4 O12 S4 -","4","1","","Wen, Ke; Wu, Zhengxing; Chen, Buyun; Chen, Jianzhong; Zhang, Wanbin","Pd(ii)-Catalyzed aerobic 1,2-difunctionalization of conjugated dienes: efficient synthesis of morpholines and 2-morpholones.","Organic & biomolecular chemistry","2018","16","31","5618","5625","10.1039/c8ob01291a","","","0.71073","MoKα","","0.0643","0.0432","","","0.1065","0.1221","","","","","","1.037","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156314","8.2097","0.0006","11.3718","0.001","11.432","0.0009","63.44","0.008","84.691","0.006","84.975","0.007","949.27","0.15","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H25 N O4 S -","- C18 H25 N O4 S -","- C36 H50 N2 O8 S2 -","2","1","","Wen, Ke; Wu, Zhengxing; Chen, Buyun; Chen, Jianzhong; Zhang, Wanbin","Pd(ii)-Catalyzed aerobic 1,2-difunctionalization of conjugated dienes: efficient synthesis of morpholines and 2-morpholones.","Organic & biomolecular chemistry","2018","16","31","5618","5625","10.1039/c8ob01291a","","","0.71073","MoKα","","0.0915","0.0524","","","0.0917","0.1075","","","","","","0.952","","","","has coordinates,has disorder","301861","2025-08-22","11:12:38",""
"7156315","10.8106","0.001","5.454","0.0005","11.7245","0.001","90","","104.012","0.005","90","","670.72","0.11","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H15 N O4 S -","- C13 H15 N O4 S -","- C26 H30 N2 O8 S2 -","2","1","","Wen, Ke; Wu, Zhengxing; Chen, Buyun; Chen, Jianzhong; Zhang, Wanbin","Pd(ii)-Catalyzed aerobic 1,2-difunctionalization of conjugated dienes: efficient synthesis of morpholines and 2-morpholones.","Organic & biomolecular chemistry","2018","16","31","5618","5625","10.1039/c8ob01291a","","","1.54178","CuKα","","0.0693","0.0544","","","0.1414","0.155","","","","","","1.1","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156316","17.4085","0.001","6.2355","0.0003","17.4828","0.0011","90","","99.565","0.006","90","","1871.39","0.19","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O4 S -","- C20 H21 N O4 S -","- C80 H84 N4 O16 S4 -","4","1","","Wen, Ke; Wu, Zhengxing; Chen, Buyun; Chen, Jianzhong; Zhang, Wanbin","Pd(ii)-Catalyzed aerobic 1,2-difunctionalization of conjugated dienes: efficient synthesis of morpholines and 2-morpholones.","Organic & biomolecular chemistry","2018","16","31","5618","5625","10.1039/c8ob01291a","","","0.71073","MoKα","","0.0669","0.0462","","","0.1089","0.1228","","","","","","1.023","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156317","9.1241","0.0002","13.2825","0.0002","25.2487","0.0005","90","","94.118","0.001","90","","3052.01","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N O3 S -","- C15 H21 N O3 S -","- C120 H168 N8 O24 S8 -","8","2","","Wen, Ke; Wu, Zhengxing; Chen, Buyun; Chen, Jianzhong; Zhang, Wanbin","Pd(ii)-Catalyzed aerobic 1,2-difunctionalization of conjugated dienes: efficient synthesis of morpholines and 2-morpholones.","Organic & biomolecular chemistry","2018","16","31","5618","5625","10.1039/c8ob01291a","","","1.54178","CuKα","","0.041","0.0344","","","0.0863","0.091","","","","","","1.059","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156318","27.193","0.003","8.6013","0.0007","16.525","0.0017","90","","101.302","0.011","90","","3790.2","0.7","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 N O3 S -","- C20 H23 N O3 S -","- C160 H184 N8 O24 S8 -","8","1","","Wen, Ke; Wu, Zhengxing; Chen, Buyun; Chen, Jianzhong; Zhang, Wanbin","Pd(ii)-Catalyzed aerobic 1,2-difunctionalization of conjugated dienes: efficient synthesis of morpholines and 2-morpholones.","Organic & biomolecular chemistry","2018","16","31","5618","5625","10.1039/c8ob01291a","","","0.71073","MoKα","","0.1006","0.0554","","","0.1352","0.1687","","","","","","1.048","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156319","15.92","0.0013","5.8083","0.0004","20.4496","0.0014","90","","100.147","0.007","90","","1861.4","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3,5,6-tetrafluoro-4-[4-[(4-methoxyphenyl)ethynyl]phenylethynyl]anisole","","- C24 H14 F4 O2 -","- C24 H14 F4 O2 -","- C96 H56 F16 O8 -","4","1","","Yamada, Shigeyuki; Morita, Masato; Agou, Tomohiro; Kubota, Toshio; Ichikawa, Takahiro; Konno, Tsutomu","Thermoresponsive luminescence properties of polyfluorinated bistolane-type light-emitting liquid crystals.","Organic & biomolecular chemistry","2018","16","31","5609","5617","10.1039/c8ob01497c","","","0.71073","MoKα","","0.0666","0.0578","","","0.1468","0.1519","","","","","","1.101","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156320","11.4515","0.0006","4.9051","0.0003","39.555","0.002","90","","90","","90","","2221.8","0.2","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2,3,4,5,6-Pentafluoro-4-[4-[(4-hexyloxyphenyl)ethynyl]phenylethynyl]benzene","","- C28 H21 F5 O -","- C28 H21 F5 O -","- C112 H84 F20 O4 -","4","1","","Yamada, Shigeyuki; Morita, Masato; Agou, Tomohiro; Kubota, Toshio; Ichikawa, Takahiro; Konno, Tsutomu","Thermoresponsive luminescence properties of polyfluorinated bistolane-type light-emitting liquid crystals.","Organic & biomolecular chemistry","2018","16","31","5609","5617","10.1039/c8ob01497c","","","0.71073","MoKα","","0.0456","0.0404","","","0.0876","0.0908","","","","","","1.048","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156321","23.851","0.001","7.4217","0.0004","7.8859","0.0004","90","","90","","90","","1395.92","0.12","293","2","293","2","","","","","","","","3","C m c 21","C 2c -2","36","","1,3-diphenylimidazo[1,5-a]pyridine","","- C19 H14 N2 -","- C19 H14 N2 -","- C76 H56 N8 -","4","0.5","","Hu, Zhiyuan; Hou, Jiao; Liu, Jie; Yu, Wenquan; Chang, Junbiao","Synthesis of imidazo[1,5-a]pyridines via I<sub>2</sub>-mediated sp<sup>3</sup> C-H amination.","Organic & biomolecular chemistry","2018","16","31","5653","5660","10.1039/c8ob01501e","","x-ray","1.54184","CuKα","","0.0334","0.0316","","","0.0834","0.0864","","","","","","1.057","","","","has coordinates","230809","2020-10-21","18:00:00",""
"7156322","7.4307","0.0005","10.8091","0.0007","14.322","0.0008","88.506","0.005","89.846","0.005","83.022","0.005","1141.42","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H18 N2 O7 -","- C26 H18 N2 O7 -","- C52 H36 N4 O14 -","2","1","","Wang, Zhi-Peng; He, Yun; Shao, Pan-Lin","Transition-metal-free synthesis of polysubstituted pyrrole derivatives via cyclization of methyl isocyanoacetate with aurone analogues.","Organic & biomolecular chemistry","2018","16","30","5422","5426","10.1039/c8ob01558a","","","0.71073","MoKα","","0.0776","0.0525","","","0.1201","0.1387","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156323","15.8276","0.0007","16.5142","0.0007","15.0083","0.0008","90","","114.514","0.006","90","","3569.3","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N2 -","- C30 H28 N2 -","- C180 H168 N12 -","6","1.5","","Huang, Li; Cao, Ying-Juan; Sun, Xiang-Ying; Liu, Bin; Shen, Jiang-Shan","Diverse applications of TMB-based sensing probes.","Organic & biomolecular chemistry","2018","16","31","5667","5676","10.1039/c8ob01364k","","","0.71073","MoKα","","0.1224","0.0566","","","0.118","0.1503","","","","","","0.942","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156324","9.812","0.002","15.26","0.003","18.464","0.004","108.25","0.03","98.59","0.03","92.69","0.03","2583.2","1.1","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H11 N O2 -","- C17 H11 N O2 -","- C136 H88 N8 O16 -","8","4","","Zhang, Wei; Yang, Chen; Pan, Yu-Liang; Li, Xin; Cheng, Jin-Pei","Synthesis of 3-cyanomethylated coumarins by a visible-light-mediated direct cyanomethylation of aryl alkynoates.","Organic & biomolecular chemistry","2018","16","32","5788","5792","10.1039/c8ob01513a","","","0.71073","MoKα","","0.1223","0.0634","","","0.1133","0.138","","","","","","0.998","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156325","10.067","0.002","9.1332","0.0018","15.755","0.003","90","","103.76","0.03","90","","1407","0.5","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H10 Br N O2 -","- C17 H10 Br N O2 -","- C68 H40 Br4 N4 O8 -","4","1","","Zhang, Wei; Yang, Chen; Pan, Yu-Liang; Li, Xin; Cheng, Jin-Pei","Synthesis of 3-cyanomethylated coumarins by a visible-light-mediated direct cyanomethylation of aryl alkynoates.","Organic & biomolecular chemistry","2018","16","32","5788","5792","10.1039/c8ob01513a","","","0.71073","MoKα","","0.0687","0.0398","","","0.0749","0.0824","","","","","","0.998","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156326","8.7914","0.001","16.8836","0.0019","17.728","0.002","90","","90","","90","","2631.4","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Br N3 O4 S2 -","- C24 H24 Br N3 O4 S2 -","- C96 H96 Br4 N12 O16 S8 -","4","1","","Xu, Han; Kang, Tian-Chen; Sha, Feng; Wu, Xin-Yan","Enantioselective Mannich reaction between rhodanines and isatin-derived ketimines to construct vicinal tetrasubstituted stereocenters.","Organic & biomolecular chemistry","2018","16","32","5780","5787","10.1039/c8ob01524d","","","0.71073","MoKα","","0.0453","0.0322","","","0.0687","0.0737","","","","","","1.015","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156327","27.1192","0.0008","27.1192","0.0008","6.0742","0.0002","90","","90","","90","","4467.3","0.2","100","2","100","2","","","","","","","","4","P 42","P 4c","77","","","","- C21 H32 N2 O6 -","- C21 H32 N2 O6 -","- C168 H256 N16 O48 -","8","2","","Niwetmarin, Worawat; Rego Campello, Hugo; Sparkes, Hazel A.; Aggarwal, Varinder K.; Gallagher, Timothy","(-)-Cytisine: Access to a stereochemically defined and functionally flexible piperidine scaffold.","Organic & biomolecular chemistry","2018","16","32","5823","5832","10.1039/c8ob01456f","","","0.71073","MoKα","","0.0649","0.0442","","","0.0809","0.0889","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156328","7.1313","0.0016","8.764","0.002","17.546","0.004","90","","91.71","0.005","90","","1096.1","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H25 N3 O5 -","- C26 H25 N3 O5 -","- C52 H50 N6 O10 -","2","1","","Niwetmarin, Worawat; Rego Campello, Hugo; Sparkes, Hazel A.; Aggarwal, Varinder K.; Gallagher, Timothy","(-)-Cytisine: Access to a stereochemically defined and functionally flexible piperidine scaffold.","Organic & biomolecular chemistry","2018","16","32","5823","5832","10.1039/c8ob01456f","","","1.54178","CuKα","","0.0517","0.0517","","","0.1368","0.1368","","","","","","1.027","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156329","8.5893","0.0015","11.638","0.002","22.452","0.004","90","","90","","90","","2244.4","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 N2 O7 -","- C21 H30 N2 O7 -","- C84 H120 N8 O28 -","4","1","","Niwetmarin, Worawat; Rego Campello, Hugo; Sparkes, Hazel A.; Aggarwal, Varinder K.; Gallagher, Timothy","(-)-Cytisine: Access to a stereochemically defined and functionally flexible piperidine scaffold.","Organic & biomolecular chemistry","2018","16","32","5823","5832","10.1039/c8ob01456f","","","1.54178","CuKα","","0.0349","0.0341","","","0.0892","0.0899","","","","","","1.059","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156330","9.0593","0.0002","12.1761","0.0002","12.5506","0.0002","74.493","0.001","89.579","0.001","84.484","0.001","1327.6","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H44 Cl12 O12 -","- C50 H44 Cl12 O12 -","- C50 H44 Cl12 O12 -","1","0.5","","Wang, Denan; Ivanov, Maxim V.; Mirzaei, Saber; Lindeman, Sergey V.; Rathore, Rajendra","An electron-transfer induced conformational transformation: from non-cofacial ""sofa"" to cofacial ""boat"" in cyclotetraveratrylene (CTTV) and formation of charge transfer complexes.","Organic & biomolecular chemistry","2018","16","31","5712","5717","10.1039/c8ob01118d","","","1.54178","CuKα","","0.0252","0.0245","","","0.0633","0.0637","","","","","","1.069","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156331","10.0667","0.0004","16.1954","0.0007","19.0021","0.0008","111.109","0.004","94.141","0.004","100.255","0.004","2812.4","0.2","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C49.55 H48.64 Cl11.68 N2 O10 -","- C49.548 H48.644 Cl11.678 N2 O10 -","- C99.096 H97.288 Cl23.356 N4 O20 -","2","1","","Wang, Denan; Ivanov, Maxim V.; Mirzaei, Saber; Lindeman, Sergey V.; Rathore, Rajendra","An electron-transfer induced conformational transformation: from non-cofacial ""sofa"" to cofacial ""boat"" in cyclotetraveratrylene (CTTV) and formation of charge transfer complexes.","Organic & biomolecular chemistry","2018","16","31","5712","5717","10.1039/c8ob01118d","","x-ray","1.54184","CuKα","","0.0995","0.0664","","","0.184","0.2048","","","","","","0.955","","","","has coordinates,has disorder","230810","2020-10-21","18:00:00",""
"7156332","9.1731","0.0009","12.2931","0.0011","12.4614","0.0012","64.335","0.002","84.712","0.003","79.181","0.003","1244","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H23 Cl2 N3 O2 -","- C28 H23 Cl2 N3 O2 -","- C56 H46 Cl4 N6 O4 -","2","1","","Liao, Huiwu; Peng, Xiangjun; Hu, Dan; Xu, Xianyun; Huang, Panpan; Liu, Qian; Liu, Liangxian","CoCl<sub>2</sub>-promoted TEMPO oxidative homocoupling of indoles: access to tryptanthrin derivatives.","Organic & biomolecular chemistry","2018","16","31","5699","5706","10.1039/c8ob01216d","","","0.71073","MoKα","","0.1478","0.0889","","","0.2313","0.2641","","","","","","1.042","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156333","10.7906","0.0006","10.2626","0.0005","17.5715","0.0009","90","","102.945","0.003","90","","1896.41","0.17","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N3 O3 -","- C23 H17 N3 O3 -","- C92 H68 N12 O12 -","4","1","","Liao, Huiwu; Peng, Xiangjun; Hu, Dan; Xu, Xianyun; Huang, Panpan; Liu, Qian; Liu, Liangxian","CoCl<sub>2</sub>-promoted TEMPO oxidative homocoupling of indoles: access to tryptanthrin derivatives.","Organic & biomolecular chemistry","2018","16","31","5699","5706","10.1039/c8ob01216d","","","0.71073","MoKα","","0.0617","0.0419","","","0.1064","0.1165","","","","","","1.065","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156334","12.899","0.002","7.78","0.002","13.924","0.001","90","","94.602","0.009","90","","1392.8","0.4","298","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-hydroxy-3-(2?-chlorobenzoyl)-5-nitro-1H-indole","","","- C15 H9 Cl N2 O4 -","- C15 H9 Cl N2 O4 -","- C60 H36 Cl4 N8 O16 -","4","1","","Ieronimo, Gabriella; Palmisano, Giovanni; Maspero, Angelo; Marzorati, Alessandro; Scapinello, Luca; Masciocchi, Norberto; Cravotto, Giancarlo; Barge, Alessandro; Simonetti, Marco; Ameta, Keshav Lalit; Nicholas, Kenneth M.; Penoni, Andrea","A novel synthesis of N-hydroxy-3-aroylindoles and 3-aroylindoles.","Organic & biomolecular chemistry","2018","16","38","6853","6859","10.1039/c8ob01471j","","","0.71073","MoKα","","0.054","0.0376","","","0.0863","0.0951","","","","","","1.008","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156335","19.409","0.011","22.804","0.014","7.899","0.005","90","","90","","90","","3496","4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H21 N O4 S -","- C18 H21 N O4 S -","- C144 H168 N8 O32 S8 -","8","2","","Devi, Runjun; Das, Jonali; Sarma, Bipul; Das, Sajal Kumar","Phenolate-induced intramolecular ring-opening cyclization of N-tosylaziridines: access to functionalized benzoxacycles.","Organic & biomolecular chemistry","2018","16","32","5846","5858","10.1039/c8ob01143e","","","0.71073","MoKα","","0.2092","0.0691","","","0.1368","0.1922","","","","","","0.935","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156336","9.114","0.004","8.76","0.003","11.937","0.005","90","","98.233","0.006","90","","943.2","0.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 Cl N2 O3 -","- C20 H21 Cl N2 O3 -","- C40 H42 Cl2 N4 O6 -","2","1","","Xu, Gang; Tong, Chaodi; Cui, Sunliang; Dai, Liyan","A silver catalyzed domino reaction of N-cyanamide alkenes and 1,3-dicarbonyls for the synthesis of quinazolinones.","Organic & biomolecular chemistry","2018","16","32","5899","5906","10.1039/c8ob01252k","","","0.71073","MoKα","","0.0793","0.0503","","","0.1011","0.1109","","","","","","1.035","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156337","10.5691","0.0018","12.489","0.002","13.082","0.002","113.373","0.005","95.324","0.005","113.736","0.005","1384","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 Br N3 O3 -","- C30 H30 Br N3 O3 -","- C60 H60 Br2 N6 O6 -","2","1","","Jiang, Wang; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Molecular diversity of the domino annulation reaction of 2-aryl-3-nitrochromenes with pivaloylacetonitriles.","Organic & biomolecular chemistry","2018","16","32","5816","5822","10.1039/c8ob01504j","","","0.71073","MoKα","","0.1185","0.0577","","","0.1171","0.1391","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156338","6.8547","0.0015","15.209","0.003","23.124","0.005","90","","98.52","","90","","2384.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Br N3 O4 -","- C25 H22 Br N3 O4 -","- C100 H88 Br4 N12 O16 -","4","1","","Jiang, Wang; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Molecular diversity of the domino annulation reaction of 2-aryl-3-nitrochromenes with pivaloylacetonitriles.","Organic & biomolecular chemistry","2018","16","32","5816","5822","10.1039/c8ob01504j","","","0.71073","MoKα","","0.2521","0.0833","","","0.1701","0.2262","","","","","","0.916","","","","has coordinates,has disorder","230636","2020-10-21","18:00:00",""
"7156339","5.3424","0.0018","19.837","0.006","19.534","0.006","90","","103.226","0.01","90","","2015.2","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 Br N O2 -","- C25 H16 Br N O2 -","- C100 H64 Br4 N4 O8 -","4","1","","Jiang, Wang; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Molecular diversity of the domino annulation reaction of 2-aryl-3-nitrochromenes with pivaloylacetonitriles.","Organic & biomolecular chemistry","2018","16","32","5816","5822","10.1039/c8ob01504j","","","0.71073","MoKα","","0.2514","0.0778","","","0.1415","0.1961","","","","","","1.008","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156340","9.2635","0.0005","11.3364","0.0006","11.3467","0.0006","86.529","0.002","72.466","0.002","78.713","0.002","1114.23","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 Br Cl N2 O2 -","- C24 H20 Br Cl N2 O2 -","- C48 H40 Br2 Cl2 N4 O4 -","2","1","","Jiang, Wang; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Molecular diversity of the domino annulation reaction of 2-aryl-3-nitrochromenes with pivaloylacetonitriles.","Organic & biomolecular chemistry","2018","16","32","5816","5822","10.1039/c8ob01504j","","","0.71073","MoKα","","0.0865","0.043","","","0.0873","0.1","","","","","","1.02","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156341","10.1744","0.0008","12.6935","0.0011","13.136","0.0012","113.581","0.003","93.921","0.003","112.484","0.002","1386.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 Cl N3 O4 -","- C30 H30 Cl N3 O4 -","- C60 H60 Cl2 N6 O8 -","2","1","","Jiang, Wang; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Molecular diversity of the domino annulation reaction of 2-aryl-3-nitrochromenes with pivaloylacetonitriles.","Organic & biomolecular chemistry","2018","16","32","5816","5822","10.1039/c8ob01504j","","","0.71073","MoKα","","0.106","0.0568","","","0.1206","0.1386","","","","","","1.021","","","","has coordinates,has disorder","301861","2025-08-22","11:12:38",""
"7156342","6.8119","0.0012","15.187","0.003","22.922","0.004","90","","98.315","0.005","90","","2346.4","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Br2 N2 O2 -","- C25 H22 Br2 N2 O2 -","- C100 H88 Br8 N8 O8 -","4","1","","Jiang, Wang; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Molecular diversity of the domino annulation reaction of 2-aryl-3-nitrochromenes with pivaloylacetonitriles.","Organic & biomolecular chemistry","2018","16","32","5816","5822","10.1039/c8ob01504j","","","0.71073","MoKα","","0.1449","0.0613","","","0.1198","0.1467","","","","","","1.004","","","","has coordinates,has disorder","301861","2025-08-22","11:12:38",""
"7156343","9.0719","0.0004","11.2308","0.0004","11.5065","0.0004","80.422","0.001","76.363","0.001","70.848","0.001","1071.15","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Br N3 O4 -","- C24 H20 Br N3 O4 -","- C48 H40 Br2 N6 O8 -","2","1","","Jiang, Wang; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Molecular diversity of the domino annulation reaction of 2-aryl-3-nitrochromenes with pivaloylacetonitriles.","Organic & biomolecular chemistry","2018","16","32","5816","5822","10.1039/c8ob01504j","","","0.71073","MoKα","","0.0406","0.0255","","","0.0612","0.0633","","","","","","1.065","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156344","9.933","0.0007","12.4636","0.0012","23.3748","0.0016","93.564","0.003","97.108","0.002","113.474","0.002","2614.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H28 Cl N3 O3 -","- C29 H28 Cl N3 O3 -","- C116 H112 Cl4 N12 O12 -","4","2","","Jiang, Wang; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Molecular diversity of the domino annulation reaction of 2-aryl-3-nitrochromenes with pivaloylacetonitriles.","Organic & biomolecular chemistry","2018","16","32","5816","5822","10.1039/c8ob01504j","","","0.71073","MoKα","","0.1733","0.0678","","","0.1084","0.1338","","","","","","1.008","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156345","6.44998","0.0001","20.5679","0.0003","23.9334","0.0004","90","","94.4481","0.0015","90","","3165.5","0.09","110","0.1","110","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 F N O4 -","- C17 H20 F N O4 -","- C136 H160 F8 N8 O32 -","8","2","","Griggs, Samuel D.; Thompson, Nathan; Tape, Daniel T.; Fabre, Marie; Clarke, Paul A.","Synthesis of highly substituted 2-spiropiperidines.","Organic & biomolecular chemistry","2018","16","36","6663","6674","10.1039/c8ob01272e","","x-ray","1.54184","CuKα","","0.0457","0.0362","","","0.0855","0.0912","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156346","8.6049","0.0017","11.226","0.002","12.391","0.003","113.15","0.03","98.39","0.03","96.47","0.03","1069.6","0.5","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 I N2 O S -","- C24 H19 I N2 O S -","- C48 H38 I2 N4 O2 S2 -","2","1","","Wu, Jing; Kong, Yuanfang; Liu, Lingyan; Chang, Weixing; Li, Jing","Metal-free multicomponent cascade reactions of homopropargylic amines and acyl chlorides as well as potassium thiocyanate and diiodine: an access to thiazine imides.","Organic & biomolecular chemistry","2018","16","33","5955","5959","10.1039/c8ob01557k","","","0.71073","MoKα","","0.0419","0.0372","","","0.1023","0.1051","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156347","10.8798","0.0001","18.4104","0.0001","14.5081","0.0001","90","","90","","90","","2905.99","0.04","150","","150","","","","","","","","from U of Wollongong","4","P c c n","-P 2ab 2ac","56","","","","- C19 H14 N2 O3 -","- C19 H14 N2 O3 -","- C152 H112 N16 O24 -","8","1","","Butler, Nicholas M.; Hendra, Rudi; Bremner, John B.; Willis, Anthony C.; Lucantoni, Leonardo; Avery, Vicky M.; Keller, Paul A.","Cascade reactions of indigo with oxiranes and aziridines: efficient access to dihydropyrazinodiindoles and spiro-oxazocinodiindoles.","Organic & biomolecular chemistry","2018","16","33","6006","6016","10.1039/c8ob00865e","","","1.54184","CuKα","","0.0316","0.03","","0.0746","0.0734","0.0746","","","","","","1.0045","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156348","23.5193","0.0013","11.6263","0.0007","9.3856","0.0005","90","","90.966","0.005","90","","2566.1","0.3","150","","150","","","","","","","","from U of Wollongong","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 N3 O4 S -","- C31 H25 N3 O4 S -","- C124 H100 N12 O16 S4 -","4","1","","Butler, Nicholas M.; Hendra, Rudi; Bremner, John B.; Willis, Anthony C.; Lucantoni, Leonardo; Avery, Vicky M.; Keller, Paul A.","Cascade reactions of indigo with oxiranes and aziridines: efficient access to dihydropyrazinodiindoles and spiro-oxazocinodiindoles.","Organic & biomolecular chemistry","2018","16","33","6006","6016","10.1039/c8ob00865e","","x-ray","1.54184","CuKα","","0.117","0.0706","","0.1532","0.1319","0.1532","","","","","","1.0135","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156349","23.9584","0.0007","9.6484","0.0003","16.009","0.0006","90","","90.165","0.003","90","","3700.6","0.2","150","","150","","","","","","","","from U of Wollongong","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 N2 O6 -","- C23 H18 N2 O6 -","- C184 H144 N16 O48 -","8","1","","Butler, Nicholas M.; Hendra, Rudi; Bremner, John B.; Willis, Anthony C.; Lucantoni, Leonardo; Avery, Vicky M.; Keller, Paul A.","Cascade reactions of indigo with oxiranes and aziridines: efficient access to dihydropyrazinodiindoles and spiro-oxazocinodiindoles.","Organic & biomolecular chemistry","2018","16","33","6006","6016","10.1039/c8ob00865e","","","0.71073","MoKα","","0.0474","0.0443","","0.1093","0.1074","0.1093","","","","","","1.0328","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156350","10.5565","0.0002","14.9406","0.0002","25.9563","0.0004","90","","90","","90","","4093.84","0.11","150","","150.01","0.1","","","","","","","from U of Wollongong","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H35.85 Cl4.15 N4 O8 -","- C42 H35.85 Cl4.15 N4 O8 -","- C168 H143.4 Cl16.6 N16 O32 -","4","1","","Butler, Nicholas M.; Hendra, Rudi; Bremner, John B.; Willis, Anthony C.; Lucantoni, Leonardo; Avery, Vicky M.; Keller, Paul A.","Cascade reactions of indigo with oxiranes and aziridines: efficient access to dihydropyrazinodiindoles and spiro-oxazocinodiindoles.","Organic & biomolecular chemistry","2018","16","33","6006","6016","10.1039/c8ob00865e","","x-ray","1.54184","CuKα","","0.0769","0.0684","","0.1506","0.1456","0.1506","","","","","","0.9821","","","","has coordinates","230652","2020-10-21","18:00:00",""
"7156351","8.6464","0.00007","11.41283","0.00008","17.69376","0.00013","90","","90","","90","","1746.02","0.02","150","","150","","","","","","","","from U of Wollongong","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 N2 O4 -","- C22 H18 N2 O4 -","- C88 H72 N8 O16 -","4","1","","Butler, Nicholas M.; Hendra, Rudi; Bremner, John B.; Willis, Anthony C.; Lucantoni, Leonardo; Avery, Vicky M.; Keller, Paul A.","Cascade reactions of indigo with oxiranes and aziridines: efficient access to dihydropyrazinodiindoles and spiro-oxazocinodiindoles.","Organic & biomolecular chemistry","2018","16","33","6006","6016","10.1039/c8ob00865e","","x-ray","1.54184","CuKα","","0.0306","0.0302","","0.0812","0.0807","0.0812","","","","","","1.0034","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156352","9.4743","0.0005","10.9625","0.0005","15.3255","0.0007","69.302","0.001","81.446","0.002","65.245","0.002","1352.17","0.12","296","2","296","2","","","","","","","","3","P -1","-P 1","2","Tsavoenones A","","","- C28 H28 O12 -","- C28 H28 O12 -","- C56 H56 O24 -","2","1","","Duong, Thuc-Huy; Beniddir, Mehdi A.; Genta-Jouve, Grégory; Aree, Thammarat; Chollet-Krugler, Marylène; Boustie, Joël; Ferron, Solenn; Sauvager, Aurélie; Nguyen, Huu-Hung; Nguyen, Kim-Phi-Phung; Chavasiri, Warinthorn; Le Pogam, Pierre","Tsavoenones A-C: unprecedented polyketides with a 1,7-dioxadispiro[4.0.4.4]tetradecane core from the lichen Parmotrema tsavoense.","Organic & biomolecular chemistry","2018","16","32","5913","5919","10.1039/c8ob01280f","","","0.71073","MoKα","","0.1032","0.0555","","","0.1394","0.1642","","","","","","1.039","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156353","7.6583","0.0009","11.7333","0.0012","25.007","0.002","90","","95.687","0.011","90","","2236","0.4","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N4 O6 -","- C25 H22 N4 O6 -","- C100 H88 N16 O24 -","4","1","","Gao, Xing; Shan, Chunhui; Chen, Zhihao; Liu, Yan; Zhao, Xia; Zhang, Ao; Yu, Peng; Galons, Hervé; Lan, Yu; Lu, Kui","One-pot synthesis of β-lactams by the Ugi and Michael addition cascade reaction.","Organic & biomolecular chemistry","2018","16","33","6096","6105","10.1039/c8ob01176a","","x-ray","0.71073","MoKα","","0.0671","0.0527","","","0.1199","0.1239","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156354","11.1611","0.0007","18.4375","0.0011","23.2735","0.0012","90","","90","","90","","4789.3","0.5","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C55 H58 N2 O9 S -","- C55 H58 N2 O9 S -","- C220 H232 N8 O36 S4 -","4","1","","Łęczycka-Wilk, Katarzyna; Ulatowski, Filip; Cmoch, Piotr; Jarosz, Sławomir","""Choose-a-size"" control in the synthesis of sucrose based urea and thiourea macrocycles.","Organic & biomolecular chemistry","2018","16","33","6063","6069","10.1039/c8ob01340c","","","0.71073","MoKα","","0.1075","0.0635","","","0.1471","0.1795","","","","","","0.911","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156355","11.2505","0.0007","11.5713","0.001","13.0127","0.0009","86.119","0.006","84.314","0.006","65.589","0.007","1534.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H33 N3 O6 -","- C34 H33 N3 O6 -","- C68 H66 N6 O12 -","2","1","","Guo, Jiaomei; Zhao, Yang; Fang, Dongmei; Wang, Qilin; Bu, Zhanwei","Diastereoselective construction of pyrrolo[2,1-a]isoquinoline-based bispirooxindoles through a three-component [3 + 2] cycloaddition.","Organic & biomolecular chemistry","2018","16","33","6025","6034","10.1039/c8ob01493k","","x-ray","0.71073","MoKα","","0.1021","0.0551","","","0.119","0.1458","","","","","","1.023","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156356","9.1202","0.001","8.3186","0.001","33.169","0.007","90","","90","","90","","2516.4","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H6 F7 N2 -","- C11 H6 F7 N2 -","- C88 H48 F56 N16 -","8","1","","Wang, Hui; Tu, Yuan-Hong; Liu, De-Yong; Hu, Xiang-Guo","Cu-Catalyzed/mediated synthesis of N-fluoroalkylanilines from arylboronic acids: fluorine effect on the reactivity of fluoroalkylamines.","Organic & biomolecular chemistry","2018","16","36","6634","6637","10.1039/c8ob01581c","","","0.71073","MoKα","","0.1468","0.1311","","","0.3738","0.4","","","","","","1.523","","","","has coordinates","230840","2020-10-21","18:00:00",""
"7156357","4.3659","0.0006","22.675","0.003","8.74","0.0012","90","","92.88","0.014","90","","864.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 F2 N2 -","- C9 H8 F2 N2 -","- C36 H32 F8 N8 -","4","1","","Wang, Hui; Tu, Yuan-Hong; Liu, De-Yong; Hu, Xiang-Guo","Cu-Catalyzed/mediated synthesis of N-fluoroalkylanilines from arylboronic acids: fluorine effect on the reactivity of fluoroalkylamines.","Organic & biomolecular chemistry","2018","16","36","6634","6637","10.1039/c8ob01581c","","","0.71073","MoKα","","0.0852","0.0759","","","0.1972","0.212","","","","","","0.975","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156358","8.9053","0.0002","29.8896","0.0007","10.0393","0.0002","90","","113.921","0.001","90","","2442.69","0.09","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H29 N3 O4 -","- C26 H29 N3 O4 -","- C104 H116 N12 O16 -","4","2","","Cai, Yue; Gu, Qing; You, Shu-Li","Chemoselective N-H functionalization of indole derivatives via the Reissert-type reaction catalyzed by a chiral phosphoric acid.","Organic & biomolecular chemistry","2018","16","33","6146","6154","10.1039/c8ob01863d","","","1.54178","CuKα","","0.0865","0.0698","","","0.1763","0.1981","","","","","","1.026","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156359","9.1068","0.0005","13.5461","0.0009","26.1677","0.0013","90","","90","","90","","3228.1","0.3","293","2","293.15","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C23 H14 O2 -","- C23 H14 O2 -","- C184 H112 O16 -","8","1","","Addepalli, Yesu; Yu, Zhimei; Ji, Jie; Zou, Cheng; Wang, Zhen; He, Yun","Tandem Diels-Alder/oxidation-aromatization reactions involving 2-styrylchromones and arynes.","Organic & biomolecular chemistry","2018","16","33","6077","6085","10.1039/c8ob01199k","","x-ray","0.71073","MoKα","","0.0861","0.054","","","0.1203","0.1393","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156360","10.1392","0.0004","10.1392","0.0004","28.1205","0.0016","90","","90","","90","","2890.9","0.2","296","2","296","2","","","","","","","","5","P 41","P 4w","76","","","","- C16 H14 Cl N O2 -","- C16 H14 Cl N O2 -","- C128 H112 Cl8 N8 O16 -","8","2","","Shao, Ling-Yan; Xu, Zhi; Wang, Cun-Ying; Fu, Xiao-Pan; Chen, Miao-Miao; Liu, Hong-Wei; Ji, Ya-Fei","Palladium-catalyzed direct mono-aroylation of O-arylmethyl and aryl-substituted acetoxime ethers.","Organic & biomolecular chemistry","2018","16","34","6284","6294","10.1039/c8ob01400k","","","1.54178","CuKα","","0.0531","0.039","","","0.0943","0.101","","","","","","1.021","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156361","8.863","0.0006","6.941","0.0004","14.038","0.001","90","","104.114","0.007","90","","837.52","0.1","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H17 N3 O -","- C21 H17 N3 O -","- C42 H34 N6 O2 -","2","1","","Shinde, Vikki N.; Dhiman, Shiv; Krishnan, Rangan; Kumar, Dalip; Kumar, Anil","Synthesis of imidazopyridine-fused indoles via one-pot sequential Knoevenagel condensation and cross dehydrogenative coupling.","Organic & biomolecular chemistry","2018","16","33","6123","6132","10.1039/c8ob01449c","","x-ray","0.71073","MoKα","","0.0346","0.0311","","","0.0821","0.0838","","","","","","1.067","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156362","9.4056","0.0012","7.0317","0.0008","28.179","0.003","90","","94.395","0.01","90","","1858.2","0.4","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N3 O3 -","- C24 H19 N3 O3 -","- C96 H76 N12 O12 -","4","1","","Shinde, Vikki N.; Dhiman, Shiv; Krishnan, Rangan; Kumar, Dalip; Kumar, Anil","Synthesis of imidazopyridine-fused indoles via one-pot sequential Knoevenagel condensation and cross dehydrogenative coupling.","Organic & biomolecular chemistry","2018","16","33","6123","6132","10.1039/c8ob01449c","","x-ray","0.71073","MoKα","","0.0407","0.0324","","","0.0821","0.0862","","","","","","1.039","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156363","9.2351","0.00017","14.6347","0.0003","25.4336","0.0005","90","","96.9605","0.0007","90","","3412.09","0.12","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H19 N O6 -","- C18 H19 N O6 -","- C144 H152 N8 O48 -","8","1","","Tateishi, Keiichiro; Noguchi, Keiichi; Saito, Akio","2-Picoline catalyst-triggered [2 + 2 + 2] cycloaddition-type reaction of acetylenedicarboxylates, aldehydes and alkenes.","Organic & biomolecular chemistry","2018","16","33","5965","5968","10.1039/c8ob01774c","","","1.54187","CuKα","","0.0375","0.0364","","","0.0934","0.0943","","","","","","1.07","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156364","5.15537","0.00009","43.3613","0.0008","8.36326","0.00015","90","","111.741","0.0007","90","","1736.56","0.05","188","2","188","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 Br O6 -","- C17 H19 Br O6 -","- C68 H76 Br4 O24 -","4","1","","Tateishi, Keiichiro; Noguchi, Keiichi; Saito, Akio","2-Picoline catalyst-triggered [2 + 2 + 2] cycloaddition-type reaction of acetylenedicarboxylates, aldehydes and alkenes.","Organic & biomolecular chemistry","2018","16","33","5965","5968","10.1039/c8ob01774c","","","1.54187","CuKα","","0.0369","0.035","","","0.0856","0.0868","","","","","","1.082","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156365","9.59148","0.00017","8.88839","0.00016","20.6593","0.0004","90","","95.3754","0.0007","90","","1753.52","0.06","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O6 -","- C18 H19 N O6 -","- C72 H76 N4 O24 -","4","1","","Tateishi, Keiichiro; Noguchi, Keiichi; Saito, Akio","2-Picoline catalyst-triggered [2 + 2 + 2] cycloaddition-type reaction of acetylenedicarboxylates, aldehydes and alkenes.","Organic & biomolecular chemistry","2018","16","33","5965","5968","10.1039/c8ob01774c","","","1.54187","CuKα","","0.036","0.035","","","0.094","0.0948","","","","","","1.059","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156366","13.6734","0.00019","10.41568","0.00013","27.6271","0.0004","90","","103.065","0.0014","90","","3832.73","0.09","100.01","0.13","100.01","0.13","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H43 N3 O8 -","- C44 H43 N3 O8 -","- C176 H172 N12 O32 -","4","2","","Knudsen, Ida M. B.; Hedberg, Christinne; Ladefoged, Lucy Kate; Ide, Daisuke; Brinkø, Anne; Eikeland, Espen Z.; Kato, Atsushi; Jensen, Henrik H.","Divergent synthesis of new α-glucosidase inhibitors obtained through a vinyl Grignard-mediated carbocyclisation.","Organic & biomolecular chemistry","2018","16","34","6250","6261","10.1039/c8ob01433g","","x-ray","0.71073","MoKα","","0.0479","0.0381","","","0.0832","0.0889","","","","","","1.06","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156367","8.1375","0.0004","8.1375","0.0004","22.67","0.0015","90","","90","","90","","1501.18","0.14","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C17 H10 Cl F2 N O2 -","- C17 H10 Cl F2 N O2 -","- C68 H40 Cl4 F8 N4 O8 -","4","1","","Sun, Zhou; Xiang, Kuirong; Tao, Hua; Guo, Liqun; Li, Ying","Synthesis of 2-substituted 3-chlorobenzofurans via TMSCl-mediated nucleophilic annulation of isatin-derived propargylic alcohols.","Organic & biomolecular chemistry","2018","16","33","6133","6139","10.1039/c8ob01731j","","","1.54184","CuKα","","0.0403","0.0368","","","0.0941","0.0986","","","","","","1.05","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156368","9.6135","0.0005","10.5171","0.0005","12.3679","0.0005","72.018","0.003","70.4","0.004","89.928","0.004","1113.15","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 N2 O -","- C30 H22 N2 O -","- C60 H44 N4 O2 -","2","1","","Yang, Kai; Bao, Xiaoze; Yao, Ye; Qu, Jingping; Wang, Baomin","Iodine-mediated cross-dehydrogenative coupling of pyrazolones and alkenes.","Organic & biomolecular chemistry","2018","16","34","6275","6283","10.1039/c8ob01645c","","","0.71073","MoKα","","0.087","0.0499","","","0.1218","0.1518","","","","","","1.049","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156369","8.6452","0.0005","11.1356","0.0005","15.0205","0.0006","108.623","0.004","91.819","0.004","111.122","0.004","1260.49","0.12","130","0.1","130","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H31 N3 O4 -","- C30 H31 N3 O4 -","- C60 H62 N6 O8 -","2","1","","Murphy, Rhys B.; Pham, Duc-Truc; White, Jonathan M.; Lincoln, Stephen F.; Johnston, Martin R.","Molecular tweezers with a rotationally restricted linker and freely rotating porphyrin moieties.","Organic & biomolecular chemistry","2018","16","34","6206","6223","10.1039/c8ob00944a","","","1.5418","CuKα","","0.0472","0.0407","","","0.1054","0.1108","","","","","","1.064","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156370","10.5365","0.0013","10.715","0.0009","11.866","0.002","64.644","0.013","70.132","0.014","77.884","0.009","1135.3","0.3","130","0.1","130","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 N2 O4.06 -","- C28 H28 N2 O4.0647 -","- C56 H56 N4 O8.1294 -","2","1","","Murphy, Rhys B.; Pham, Duc-Truc; White, Jonathan M.; Lincoln, Stephen F.; Johnston, Martin R.","Molecular tweezers with a rotationally restricted linker and freely rotating porphyrin moieties.","Organic & biomolecular chemistry","2018","16","34","6206","6223","10.1039/c8ob00944a","","","0.7107","MoKα","","0.0581","0.0486","","","0.1311","0.1401","","","","","","1.065","","","","has coordinates,has disorder","230865","2020-10-21","18:00:00",""
"7156371","6.9737","0.0003","23.8115","0.0009","11.0278","0.0005","90","","98.529","0.004","90","","1810.96","0.13","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","PYD-138","","- C18 H21 B Br N O4 -","- C18 H21 B Br N O4 -","- C72 H84 B4 Br4 N4 O16 -","4","1","","Pang, Yadong; Kojima, Ryoto; Ito, Hajime","Copper(i)-catalysed stereoselective debromoborylation of aliphatic 1,1-dibromo-1-alkenes with bis(pinacolato)diboron.","Organic & biomolecular chemistry","2018","16","34","6187","6190","10.1039/c8ob01778f","","x-ray","0.71073","MoKα","","0.0441","0.0303","","","0.062","0.0655","","","","","","1.019","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156372","10.811","0.0004","11.3987","0.0003","11.7982","0.0004","90","","104.616","0.004","90","","1406.86","0.08","293","2","293.15","","","","","","","","","3","P 1 21 1","P 2yb","4","(R)-6, 6?-HMSIOL","","","- C29 H42 O3 -","- C29 H42 O3 -","- C58 H84 O6 -","2","1","","Shan, Huanyu; Pan, Rihuang; Lin, Xufeng","Synthesis and application of a new chiral monodentate spiro phosphoramidite ligand based on hexamethyl-1,1'-spirobiindane backbone in asymmetric hydroamination/arylation of alkenes.","Organic & biomolecular chemistry","2018","16","34","6183","6186","10.1039/c8ob01785a","","","1.54184","CuKα","","0.0563","0.0466","","","0.124","0.1356","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156373","7.2446","0.0003","10.9482","0.0005","21.3662","0.0009","90","","98.091","0.003","90","","1677.8","0.13","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 B Br O4 -","- C16 H20 B Br O4 -","- C64 H80 B4 Br4 O16 -","4","1","","Zi, You; Schömberg, Fritz; Seifert, Fabian; Görls, Helmar; Vilotijevic, Ivan","trans-Hydroboration vs. 1,2-reduction: divergent reactivity of ynones and ynoates in Lewis-base-catalyzed reactions with pinacolborane.","Organic & biomolecular chemistry","2018","16","34","6341","6349","10.1039/c8ob01343h","","","0.71073","MoKα","","0.055","0.0418","","","0.0887","0.0965","","","","","","1.091","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156374","14.1337","0.0016","10.2364","0.0011","8.868","0.0011","90","","97.306","0.002","90","","1272.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N O2 S -","- C15 H11 N O2 S -","- C60 H44 N4 O8 S4 -","4","1","","Li, Xiao-Fang; Shi, Lin-Feng; Zhang, Xing-Guo; Zhang, Xiao-Hong","Pd-Catalyzed C(sp<sup>2</sup>)-H aminocarbonylation using the Langlois reagent as a carbonyl source.","Organic & biomolecular chemistry","2018","16","35","6438","6442","10.1039/c8ob01421c","","","0.71073","MoKα","","0.0316","0.0306","","","0.0931","0.0939","","","","","","1.109","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156375","27.492","0.006","10.71","0.002","20.869","0.005","90","","131.125","0.006","90","","4628.6","1.8","297","2","297","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H28 Cl N3 O2 -","- C23 H28 Cl N3 O2 -","- C184 H224 Cl8 N24 O16 -","8","2","","Ren, Zhi-Lin; He, Ping; Lu, Wen-Ting; Sun, Mei; Ding, Ming-Wu","Synthesis of iminoisoindolinones via a cascade of the three-component Ugi reaction, palladium catalyzed isocyanide insertion, hydroxylation and an unexpected rearrangement reaction.","Organic & biomolecular chemistry","2018","16","34","6322","6331","10.1039/c8ob01728j","","","0.71073","MoKα","","0.0605","0.0445","","","0.115","0.1269","","","","","","0.979","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156376","7.5644","0.0002","19.5682","0.0006","9.8133","0.0003","90","","105.002","0.003","90","","1403.07","0.07","293","2","293","2","","","","","","","synthesized","5","P 1 21 1","P 2yb","4","","","","- C31 H26 N4 O6 S -","- C31 H26 N4 O6 S -","- C62 H52 N8 O12 S2 -","2","1","","Sharma, Vivek; Kaur, Anmolpreet; Sahoo, Subash Chandra; Chimni, Swapandeep Singh","Enantioselective 1,4-Michael addition reaction of pyrazolin-5-one derivatives with 2-enoylpyridines catalyzed by Cinchona derived squaramides.","Organic & biomolecular chemistry","2018","16","35","6470","6478","10.1039/c8ob01588k","","x-ray","0.71073","MoKα","","0.039","0.0331","","","0.0784","0.0819","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156377","11.7078","0.0004","23.2759","0.0007","12.9884","0.0005","90","","90.62","0.003","90","","3539.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66 H76 Cl12 N10 -","- C66 H76 Cl12.002 N10 -","- C132 H152 Cl24.004 N20 -","2","0.5","","Liebold, Martin; Sharikow, Eugen; Seikel, Elisabeth; Trombach, Lukas; Harms, Klaus; Zimcik, Petr; Novakova, Veronika; Tonner, Ralf; Sundermeyer, Jörg","An experimental and computational study on isomerically pure, soluble azaphthalocyanines and their complexes and boron azasubphthalocyanines of a varying number of aza units.","Organic & biomolecular chemistry","2018","16","35","6586","6599","10.1039/c8ob01705k","","","0.71073","MoKα","","0.0747","0.0489","","","0.1051","0.1178","","","","","","1.023","","","","has coordinates,has disorder","230842","2020-10-21","18:00:00",""
"7156378","24.8236","0.001","16.309","0.0006","10.9728","0.0004","90","","90","","90","","4442.3","0.3","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C49 H56 B Cl3 N6 -","- C49 H56 B Cl3 N6 -","- C196 H224 B4 Cl12 N24 -","4","0.5","","Liebold, Martin; Sharikow, Eugen; Seikel, Elisabeth; Trombach, Lukas; Harms, Klaus; Zimcik, Petr; Novakova, Veronika; Tonner, Ralf; Sundermeyer, Jörg","An experimental and computational study on isomerically pure, soluble azaphthalocyanines and their complexes and boron azasubphthalocyanines of a varying number of aza units.","Organic & biomolecular chemistry","2018","16","35","6586","6599","10.1039/c8ob01705k","","","0.71073","MoKα","","0.0311","0.0293","","","0.0739","0.0754","","","","","","1.049","","","","has coordinates,has disorder","230842","2020-10-21","18:00:00",""
"7156379","6.0419","0.0005","16.2175","0.0013","31.008","0.002","90","","95.305","0.003","90","","3025.3","0.4","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H70 N12 O Zn -","- C60 H70 N12 O Zn -","- C120 H140 N24 O2 Zn2 -","2","0.5","","Liebold, Martin; Sharikow, Eugen; Seikel, Elisabeth; Trombach, Lukas; Harms, Klaus; Zimcik, Petr; Novakova, Veronika; Tonner, Ralf; Sundermeyer, Jörg","An experimental and computational study on isomerically pure, soluble azaphthalocyanines and their complexes and boron azasubphthalocyanines of a varying number of aza units.","Organic & biomolecular chemistry","2018","16","35","6586","6599","10.1039/c8ob01705k","","","0.71073","MoKα","","0.0826","0.058","","","0.1364","0.1467","","","","","","1.021","","","","has coordinates","230842","2020-10-21","18:00:00",""
"7156380","7.53","0.003","5.649","0.002","23.594","0.009","90","","96.387","0.006","90","","997.4","0.7","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 F N O5 -","- C22 H24 F N O5 -","- C44 H48 F2 N2 O10 -","2","1","","Wu, Xiao-Na; You, Zhi-Hao; Liu, Yan-Kai","Different hybridized oxygen atoms controlled chemoselective formation of oxocarbenium ions: synthesis of chiral heterocyclic compounds.","Organic & biomolecular chemistry","2018","16","35","6507","6520","10.1039/c8ob01743c","","","0.71073","MoKα","","0.0786","0.0768","","","0.2055","0.2068","","","","","","1.196","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156381","7.9683","0.0003","16.3532","0.0006","23.8547","0.0009","90","","90","","90","","3108.4","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C140 H160 N8 O24 -","- C140 H160 N8 O24 -","- C140 H160 N8 O24 -","1","0.25","","Wu, Xiao-Na; You, Zhi-Hao; Liu, Yan-Kai","Different hybridized oxygen atoms controlled chemoselective formation of oxocarbenium ions: synthesis of chiral heterocyclic compounds.","Organic & biomolecular chemistry","2018","16","35","6507","6520","10.1039/c8ob01743c","","","1.54184","CuKα","","0.04","0.0385","","","0.0982","0.0992","","","","","","1.03","","","","has coordinates,has disorder","301861","2025-08-22","11:12:38",""
"7156382","6.6706","0.001","25.351","0.004","11.3316","0.0017","90","","89.9","","90","","1916.2","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H40 Br2 N2 O10 -","- C40 H40 Br2 N2 O10 -","- C80 H80 Br4 N4 O20 -","2","1","","Wu, Xiao-Na; You, Zhi-Hao; Liu, Yan-Kai","Different hybridized oxygen atoms controlled chemoselective formation of oxocarbenium ions: synthesis of chiral heterocyclic compounds.","Organic & biomolecular chemistry","2018","16","35","6507","6520","10.1039/c8ob01743c","","","0.71073","MoKα","","0.0668","0.0587","","","0.1627","0.1664","","","","","","1.036","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156383","9.5617","0.0018","9.7384","0.0018","10.228","0.002","75.27","0.017","68.659","0.018","61.422","0.019","775.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 F2 N O2 -","- C19 H15 F2 N O2 -","- C38 H30 F4 N2 O4 -","2","1","","Mai, Wen-Peng; Wang, Fei; Zhang, Xiao-Feng; Wang, Shi-Min; Duan, Qun-Peng; Lu, Kui","Nickel-catalysed radical tandem cyclisation/arylation: practical synthesis of 4-benzyl-3,3-difluoro-γ-lactams.","Organic & biomolecular chemistry","2018","16","35","6491","6498","10.1039/c8ob01389f","","x-ray","1.54184","CuKα","","0.0719","0.0582","","","0.1635","0.1824","","","","","","1.093","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156384","14.3887","0.0013","9.1859","0.0008","24.515","0.002","90","","90","","90","","3240.2","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H21 N O -","- C21 H21 N O -","- C168 H168 N8 O8 -","8","1","","Zhang, Xiao-Yu; Yang, Song; Wei, Yin; Shi, Min","Thermally-induced intramolecular [2 + 2] cycloaddition of acrylamide-tethered alkylidenecyclopropanes.","Organic & biomolecular chemistry","2018","16","35","6399","6404","10.1039/c8ob01765d","","","0.71073","MoKα","","0.0553","0.0364","","","0.0903","0.1059","","","","","","1.044","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156385","9.4746","0.0004","9.4905","0.0004","9.7931","0.0004","78.081","0.001","70.166","0.001","77.527","0.001","800.24","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N O -","- C21 H21 N O -","- C42 H42 N2 O2 -","2","1","","Zhang, Xiao-Yu; Yang, Song; Wei, Yin; Shi, Min","Thermally-induced intramolecular [2 + 2] cycloaddition of acrylamide-tethered alkylidenecyclopropanes.","Organic & biomolecular chemistry","2018","16","35","6399","6404","10.1039/c8ob01765d","","","0.71073","MoKα","","0.0535","0.0454","","","0.1083","0.1159","","","","","","1.035","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156386","9.1935","0.0001","14.7832","0.0002","30.8543","0.0005","90","","90","","90","","4193.39","0.1","180","2","180","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H45 Cl N O7 P Pd -","- C45 H45 Cl N O7 P Pd -","- C180 H180 Cl4 N4 O28 P4 Pd4 -","4","1","","Russell, David A.; Freudenreich, Julien J.; Stewart, Hannah L.; Bond, Andrew D.; Sore, Hannah F.; Spring, David R.","Semi-syntheses of the 11-hydroxyrotenoids sumatrol and villosinol.","Organic & biomolecular chemistry","2018","16","35","6395","6398","10.1039/c8ob01919c","","","0.71073","MoKα","","0.0912","0.0586","","","0.1037","0.1153","","","","","","1.063","","","","has coordinates","230844","2020-10-21","18:00:00",""
"7156387","14.4456","0.0003","9.07642","0.00017","22.7259","0.0005","90","","90","","90","","2979.69","0.11","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H14 N2 O2 S -","- C17 H14 N2 O2 S -","- C136 H112 N16 O16 S8 -","8","1","","Bandyopadhyay, Debashruti; Thirupathi, Annaram; Dhage, Nagsen Munjaji; Mohanta, Nirmala; Peruncheralathan, S.","Nickel catalyzed site selective C-H functionalization of α-aryl-thioamides.","Organic & biomolecular chemistry","2018","16","35","6405","6409","10.1039/c8ob01712c","","x-ray","1.54184","CuKα","","0.1068","0.093","","","0.2366","0.2464","","","","","","1.165","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156388","11.7047","0.0002","10.3186","0.0002","13.6857","0.0003","90","","113.046","0.003","90","","1520.99","0.06","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O2 S -","- C17 H14 N2 O2 S -","- C68 H56 N8 O8 S4 -","4","1","","Bandyopadhyay, Debashruti; Thirupathi, Annaram; Dhage, Nagsen Munjaji; Mohanta, Nirmala; Peruncheralathan, S.","Nickel catalyzed site selective C-H functionalization of α-aryl-thioamides.","Organic & biomolecular chemistry","2018","16","35","6405","6409","10.1039/c8ob01712c","","x-ray","1.54184","CuKα","","0.0467","0.0443","","","0.1217","0.1241","","","","","","1.0565","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156389","5.6165","0.0018","13.983","0.002","16.7686","0.0017","65.52","0.03","88.6","0.03","86.77","0.03","1196.6","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 Cl N3 O8 S -","- C26 H20 Cl N3 O8 S -","- C52 H40 Cl2 N6 O16 S2 -","2","1","","Jiang, Yan; Yu, Shuo-Wen; Yang, Yi; Liu, Ying-Le; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Synthesis of polycyclic spirooxindoles via an asymmetric catalytic one-pot stepwise Aldol/chloroetherification/aromatization procedure.","Organic & biomolecular chemistry","2018","16","36","6647","6651","10.1039/c8ob01713a","","","0.71073","MoKα","","0.2192","0.0706","","","0.101","0.1237","","","","","","0.898","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156390","8.8442","0.0002","10.8918","0.0002","11.5077","0.0003","90","","90.266","0.003","90","","1108.52","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H23 Cl N2 O4 -","- C23 H23 Cl N2 O4 -","- C46 H46 Cl2 N4 O8 -","2","1","","Jiang, Yan; Yu, Shuo-Wen; Yang, Yi; Liu, Ying-Le; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Synthesis of polycyclic spirooxindoles via an asymmetric catalytic one-pot stepwise Aldol/chloroetherification/aromatization procedure.","Organic & biomolecular chemistry","2018","16","36","6647","6651","10.1039/c8ob01713a","","","1.54184","CuKα","","0.0535","0.0401","","","0.0909","0.0997","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156391","9.6804","0.0014","24.788","0.004","10.418","0.0016","90","","109.906","0.004","90","","2350.5","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H29 O3 P -","- C26 H29 O3 P -","- C104 H116 O12 P4 -","4","1","","Chen, Yao-Zhong; Zhu, Jie; Wu, Jin-Jin; Wu, Lei","Organobase catalyzed straightforward synthesis of phosphinyl functionalized 2H-pyran cores from allenylphosphine oxides and 1,3-diones.","Organic & biomolecular chemistry","2018","16","36","6675","6679","10.1039/c8ob01640b","","","0.71073","MoKα","","0.0789","0.049","","","0.128","0.1413","","","","","","1.027","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156393","10.9261","0.0003","10.6284","0.0003","12.9254","0.0004","90","","90.813","0.003","90","","1500.84","0.08","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 Cl O2 -","- C18 H19 Cl O2 -","- C72 H76 Cl4 O8 -","4","1","","Wu, Wanqing; Li, Can; Li, Jianxiao; Jiang, Huanfeng","Palladium-catalyzed cascade carboesterification of norbornene with alkynes.","Organic & biomolecular chemistry","2018","16","44","8495","8504","10.1039/c8ob01799a","","x-ray","1.54184","CuKα","","0.059","0.0561","","","0.1542","0.1588","","","","","","1.042","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156394","6.07129","0.00017","18.3833","0.0005","12.037","0.0003","90","","101.88","0.003","90","","1314.68","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Cl O2 -","- C16 H15 Cl O2 -","- C64 H60 Cl4 O8 -","4","1","","Wu, Wanqing; Li, Can; Li, Jianxiao; Jiang, Huanfeng","Palladium-catalyzed cascade carboesterification of norbornene with alkynes.","Organic & biomolecular chemistry","2018","16","44","8495","8504","10.1039/c8ob01799a","","x-ray","1.54184","CuKα","","0.0825","0.0815","","","0.2215","0.223","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156395","12.3782","0.0003","12.3739","0.0003","15.7294","0.0004","90","","99.479","0.001","90","","2376.32","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5,6-Bis(3-(trifluoromethyl)phenyl)-5,6-dihydrofuro[3,2-<i>b</i>:4,5-<i>b'</i>]diindole","","- C30 H16 F6 N2 O -","- C30.001 H16 F6.003 N2 O -","- C120.004 H64 F24.012 N8 O4 -","4","1","","Hoang, Huy Do; Janke, Julia; Amirjanyan, Aneta; Ghochikyan, Tariel; Flader, Anika; Villinger, Alexander; Ehlers, Peter; Lochbrunner, Stefan; Surkus, Annette-Enrica; Langer, Peter","Synthesis of furo[3,2-b:4,5-b']diindoles and their optical and electrochemical properties.","Organic & biomolecular chemistry","2018","16","35","6543","6551","10.1039/c8ob01737a","","","0.71073","MoKα","","0.1122","0.052","","","0.0971","0.122","","","","","","1.007","","","","has coordinates,has disorder","230845","2020-10-21","18:00:00",""
"7156396","15.538","0.005","6.0233","0.0019","37.422","0.012","90","","96.818","0.012","90","","3477.6","1.9","296","2","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H19 N O4 S -","- C17 H19 N O4 S -","- C136 H152 N8 O32 S8 -","8","1","","Han, Teng; Luo, Xiaoyan","Thio-Michael addition of thioamides and allenes for the selective construction of polysubstituted 2-arylthiophenes via TBAI/H<sub>2</sub>O<sub>2</sub> promoted tandem oxidative annulation and 1,2-sulfur migration.","Organic & biomolecular chemistry","2018","16","37","8253","8257","10.1039/c8ob01835a","","","0.71073","MoKα","","0.1189","0.071","","","0.1658","0.1908","","","","","","1.055","","","","has coordinates,has disorder","301861","2025-08-22","11:12:38",""
"7156397","8.1025","0.0005","8.5681","0.0005","11.8342","0.0008","99.111","0.002","108.53","0.002","102.689","0.002","736.47","0.08","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C40 H28 O4 -","2","1","","Chen, Kuo-Hsin; Chiang, Yi-Jung; Zhu, Jia-Liang","Rhodium-catalyzed cyclization of acceptor-substituted biphenyl α-diazoketones: a study of the substitution effect on chemoselectivity.","Organic & biomolecular chemistry","2018","16","37","8353","8364","10.1039/c8ob01489b","","","0.71073","MoKα","","0.0664","0.0496","","","0.1317","0.1578","","","","","","0.999","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156398","5.206","0.0002","13.3385","0.0006","17.7829","0.0008","90","","90.2054","0.0017","90","","1234.84","0.09","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 O3 S -","- C15 H12 O3 S -","- C60 H48 O12 S4 -","4","1","","Chen, Kuo-Hsin; Chiang, Yi-Jung; Zhu, Jia-Liang","Rhodium-catalyzed cyclization of acceptor-substituted biphenyl α-diazoketones: a study of the substitution effect on chemoselectivity.","Organic & biomolecular chemistry","2018","16","37","8353","8364","10.1039/c8ob01489b","","x-ray","0.71073","MoKα","","0.0468","0.0375","","","0.0916","0.0984","","","","","","1.048","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156399","6.3713","0.0003","23.7413","0.0012","8.8276","0.0004","90","","103.695","0.005","90","","1297.33","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","carbamothioate","S-phenyl cyclohexylcarbamothioate","","- C13 H17 N O S -","- C13 H17 N O S -","- C52 H68 N4 O4 S4 -","4","1","","Pathare, Ramdas S.; Patil, Vikas; Kaur, Harpreet; Maurya, Antim K.; Agnihotri, Vijai K.; Khan, Shahnawaz; Devunuri, Nagaraju; Sharon, Ashoke; Sawant, Devesh M.","Iodine-catalyzed cross-coupling of isocyanides and thiols for the synthesis of S-thiocarbamates.","Organic & biomolecular chemistry","2018","16","37","8263","8266","10.1039/c8ob01855c","","","0.71073","MoKα","","0.064","0.0517","","","0.1229","0.131","","","","","","1.058","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156400","7.2834","0.0004","7.5733","0.0004","12.2004","0.0007","92.486","0.002","94.926","0.002","96.678","0.002","664.96","0.06","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","7,7-diethyl-8-methyl-7,8-dihydroimidazo[2',1':3,4][1,4,2]-diazaborinino[1,6,5-gh]purin-11-ium-7-uide","","- C13 H17 B N6 -","- C13 H17 B N6 -","- C26 H34 B2 N12 -","2","1","","Zhang, Jiaxi; Hübner, Eike G; Namyslo, Jan C.; Nieger, Martin; Schmidt, Andreas","Purine-substituted imidazolium mesomeric betaines and their tautomeric N-heterocyclic carbenes. Formation of a cyclic borane adduct.","Organic & biomolecular chemistry","2018","16","36","6801","6808","10.1039/c8ob01916a","","","1.54178","CuKα","","0.0376","0.0361","","","0.0938","0.0952","","","","","","1.037","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156401","5.0234","0.0015","12.137","0.004","13.751","0.004","90","","99.8","0.02","90","","826.2","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N,2,4-Trimethylfuran-3-carboxamide","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C32 H44 N4 O8 -","4","2","","Sultana, Sabera; Shim, Jae-Jin; Kim, Sung Hong; Lee, Yong Rok","Silver(i)/base-promoted propargyl alcohol-controlled regio- or stereoselective synthesis of furan-3-carboxamides and (Z)-enaminones.","Organic & biomolecular chemistry","2018","16","36","6749","6759","10.1039/c8ob01791c","","","0.71073","MoKα","","0.0556","0.0384","","","0.0884","0.1007","","","","","","1.011","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156402","5.1215","0.0015","9.156","0.003","20.332","0.006","98.617","0.011","95.001","0.01","97.261","0.01","929.6","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 N2 O -","- C23 H22 N2 O -","- C46 H44 N4 O2 -","2","1","","Manoharan, Ramasamy; Jeganmohan, Masilamani","Cobalt-catalyzed cyclization of benzamides with alkynes: a facile route to isoquinolones with hydrogen evolution.","Organic & biomolecular chemistry","2018","16","37","8384","8389","10.1039/c8ob01924j","","","0.71073","MoKα","","0.1265","0.069","","","0.1476","0.1673","","","","","","1.025","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156403","8.697","0.004","11.477","0.004","12.404","0.005","93.694","0.009","96.086","0.01","106.015","0.01","1177.7","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H30 N2 O -","- C29 H30 N2 O -","- C58 H60 N4 O2 -","2","1","","Manoharan, Ramasamy; Jeganmohan, Masilamani","Cobalt-catalyzed cyclization of benzamides with alkynes: a facile route to isoquinolones with hydrogen evolution.","Organic & biomolecular chemistry","2018","16","37","8384","8389","10.1039/c8ob01924j","","","0.71073","MoKα","","0.1124","0.0657","","","0.1645","0.1978","","","","","","1.019","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156404","18.218","0.004","7.7675","0.0018","18.549","0.004","90","","111.106","0.005","90","","2448.8","0.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 N2 O Si -","- C28 H34 N2 O Si -","- C112 H136 N8 O4 Si4 -","4","1","","Manoharan, Ramasamy; Jeganmohan, Masilamani","Cobalt-catalyzed cyclization of benzamides with alkynes: a facile route to isoquinolones with hydrogen evolution.","Organic & biomolecular chemistry","2018","16","37","8384","8389","10.1039/c8ob01924j","","","0.71073","MoKα","","0.1056","0.0592","","","0.146","0.1782","","","","","","0.993","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156405","5.8896","0.0009","10.8408","0.0014","11.3786","0.0015","90","","102.397","0.005","90","","709.56","0.17","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H17 O6 -","- C15 H17 O6 -","- C30 H34 O12 -","2","1","","Verma, Ashish Kumar; Chennaiah, Ande; Dubbu, Sateesh; Vankar, Yashwant D.","Stereoselective synthesis of sugar-fused (or 1,2-annulated) isochromans and isochromanones by using oxa-Pictet-Spengler reaction.","Organic & biomolecular chemistry","2018","16","37","8258","8262","10.1039/c8ob01698d","","","0.71073","MoKα","","0.0943","0.0599","","","0.1219","0.1344","","","","","","1.034","","","","has coordinates","230613","2020-10-21","18:00:00",""
"7156406","5.072","0.005","10.504","0.005","14.874","0.005","90","0.005","92.305","0.005","90","0.005","791.8","0.9","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O6 -","- C15 H20 O6 -","- C30 H40 O12 -","2","1","","Verma, Ashish Kumar; Chennaiah, Ande; Dubbu, Sateesh; Vankar, Yashwant D.","Stereoselective synthesis of sugar-fused (or 1,2-annulated) isochromans and isochromanones by using oxa-Pictet-Spengler reaction.","Organic & biomolecular chemistry","2018","16","37","8258","8262","10.1039/c8ob01698d","","","0.71073","MoKα","","0.0809","0.0549","","","0.118","0.1275","","","","","","1.021","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156407","5.0069","0.0004","9.5409","0.0007","26.84","0.002","90","","90","","90","","1282.16","0.17","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O6 -","- C14 H18 O6 -","- C56 H72 O24 -","4","1","","Verma, Ashish Kumar; Chennaiah, Ande; Dubbu, Sateesh; Vankar, Yashwant D.","Stereoselective synthesis of sugar-fused (or 1,2-annulated) isochromans and isochromanones by using oxa-Pictet-Spengler reaction.","Organic & biomolecular chemistry","2018","16","37","8258","8262","10.1039/c8ob01698d","","","0.71073","MoKα","","0.099","0.0568","","","0.1212","0.1464","","","","","","1.08","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156408","10.047","0.005","15.961","0.005","24.731","0.005","90","0.005","90","0.005","90","0.005","3966","2","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C20 H22 O10 -","- C20 H22 O10 -","- C160 H176 O80 -","8","1","","Verma, Ashish Kumar; Chennaiah, Ande; Dubbu, Sateesh; Vankar, Yashwant D.","Stereoselective synthesis of sugar-fused (or 1,2-annulated) isochromans and isochromanones by using oxa-Pictet-Spengler reaction.","Organic & biomolecular chemistry","2018","16","37","8258","8262","10.1039/c8ob01698d","","","0.71073","MoKα","","0.062","0.0446","","","0.093","0.0997","","","","","","1.053","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156409","10.229","0.013","10.292","0.013","12.452","0.016","88.979","0.015","78.134","0.014","86.738","0.014","1281","3","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H35 N O2 -","- C30 H35 N O2 -","- C60 H70 N2 O4 -","2","1","","Jiang, Xiao-Li; Wu, Shu-Fang; Wang, Jin-Rong; Lu, Han; Mei, Guang-Jian; Shi, Feng","The [4 + 2] cyclization/retro-Mannich reaction cascade of para-quinone methide derivatives with Pd-containing 1,4-dipoles.","Organic & biomolecular chemistry","2018","16","37","8395","8402","10.1039/c8ob01274a","","","0.71073","MoKα","","0.09","0.0638","","","0.1701","0.1889","","","","","","0.984","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156410","7.865","0.004","8.24","0.005","10.747","0.007","100.15","0.03","96.1","0.04","112.36","0.04","622.4","0.7","296","2","296","2","","","","","","","","3","P 1","P 1","1","","X-78","","- C30 H38 O3 -","- C30 H38 O3 -","- C30 H38 O3 -","1","1","","Xie, Yang-Guo; Guo, Yi-Gong; Wu, Guo-Jing; Zhu, Sheng-Lan; Cheng, Tao-Fang; Zhang, Yu; Yan, Shi-Kai; Jin, Hui-Zi; Zhang, Wei-Dong","Xylopsides A-D, four rare guaiane dimers with two unique bridged pentacyclic skeletons from Xylopia vielana.","Organic & biomolecular chemistry","2018","16","37","8408","8412","10.1039/c8ob01689e","","","1.54178","CuKα","","0.0456","0.042","","","0.1115","0.1173","","","","","","1.013","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156411","7.6619","0.0003","7.6737","0.0003","21.935","0.0009","97.812","0.002","92.511","0.002","94.499","0.002","1271.83","0.09","296","2","296","2","","","","","","","","3","P 1","P 1","1","","X-90","","- C30 H40 O2 -","- C30 H40 O2 -","- C60 H80 O4 -","2","2","","Xie, Yang-Guo; Guo, Yi-Gong; Wu, Guo-Jing; Zhu, Sheng-Lan; Cheng, Tao-Fang; Zhang, Yu; Yan, Shi-Kai; Jin, Hui-Zi; Zhang, Wei-Dong","Xylopsides A-D, four rare guaiane dimers with two unique bridged pentacyclic skeletons from Xylopia vielana.","Organic & biomolecular chemistry","2018","16","37","8408","8412","10.1039/c8ob01689e","","","1.54178","CuKα","","0.0999","0.0931","","","0.2768","0.2842","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156412","8.4187","0.0014","9.0328","0.0014","13.363","0.002","104.129","0.002","99.655","0.002","103.737","0.002","929.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H17 N O2 -","- C25 H17 N O2 -","- C50 H34 N2 O4 -","2","1","","He, Xinwei; Wang, Hui; Cai, Xiaoting; Li, Qianqian; Tao, Jiajia; Shang, Yongjia","FeCl<sub>3</sub>-promoted tandem 1,4-conjugate addition/6-endo-dig cyclization/oxidation of propargylamines and benzoylacetonitriles/malononitriles: direct access to functionalized 2-aryl-4H-chromenes.","Organic & biomolecular chemistry","2018","16","39","7191","7202","10.1039/c8ob01927d","","","0.71073","MoKα","","0.0665","0.0499","","","0.1308","0.1393","","","","","","1.091","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156413","7.4925","0.0004","9.5061","0.0005","10.1328","0.0006","76.219","0.003","73.54","0.003","83.242","0.003","671.23","0.07","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H10 N2 O -","- C18 H10 N2 O -","- C36 H20 N4 O2 -","2","1","","He, Xinwei; Wang, Hui; Cai, Xiaoting; Li, Qianqian; Tao, Jiajia; Shang, Yongjia","FeCl<sub>3</sub>-promoted tandem 1,4-conjugate addition/6-endo-dig cyclization/oxidation of propargylamines and benzoylacetonitriles/malononitriles: direct access to functionalized 2-aryl-4H-chromenes.","Organic & biomolecular chemistry","2018","16","39","7191","7202","10.1039/c8ob01927d","","","0.71073","MoKα","","0.0843","0.0574","","","0.1244","0.142","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156414","19.493","0.005","17.572","0.005","8.547","0.002","90","","93.428","0.004","90","","2922.4","1.3","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C[4]pAP(Hex4)","","","- C62 H92 N4 O6 -","- C62 H92 N4 O6 -","- C124 H184 N8 O12 -","2","0.5","","Hayakawa, Masahide; Ohsawa, Ayaka; Takeda, Kumi; Torii, Ryo; Kitamura, Yoshiaki; Katagiri, Hiroshi; Ikeda, Masato","Cyclic arylopeptoid oligomers: synthesis and conformational propensities of peptide-mimetic aromatic macrocycles.","Organic & biomolecular chemistry","2018","16","44","8505","8512","10.1039/c8ob01962b","","","0.71075","MoKα","","0.0628","0.0491","","","0.1065","0.1136","","","","","","1.095","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156415","40.5482","0.0009","5.749","0.0001","26.1364","0.0007","90","","105.526","0.002","90","","5870.4","0.2","93","","93","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","C[4]pAP(iBt-mBzl-iBt-mBzl)","","","- C59 H63 Cl9 N4 O6 -","- C59 H63 Cl9 N4 O6 -","- C236 H252 Cl36 N16 O24 -","4","0.5","","Hayakawa, Masahide; Ohsawa, Ayaka; Takeda, Kumi; Torii, Ryo; Kitamura, Yoshiaki; Katagiri, Hiroshi; Ikeda, Masato","Cyclic arylopeptoid oligomers: synthesis and conformational propensities of peptide-mimetic aromatic macrocycles.","Organic & biomolecular chemistry","2018","16","44","8505","8512","10.1039/c8ob01962b","","","0.71073","MoKα","","0.0964","0.0865","","","0.2679","0.2767","","","","","","1.13","","","","has coordinates","230602","2020-10-21","18:00:00",""
"7156416","20.7367","0.0006","19.2582","0.0005","8.3754","0.0003","90","","90","","90","","3344.73","0.18","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C79 H90 O8 -","- C79 H90 O8 -","- C158 H180 O16 -","2","0.5","","Liu, Jie-Qing; Xu, Ying; Xiao, Qin; Huang, Jin-Di; Ma, Jun-Jie; Lian, Chen-Lei; Huang, Mei-Ying; Du, Zhen-Bo; Wang, Cui-Fang","Dimericursones A and B: two unprecedented hexacyclic dimeric diterpenoids from the root barks of Jatropha curcas.","Organic & biomolecular chemistry","2018","16","37","8305","8310","10.1039/c8ob02082e","","x-ray","1.54184","CuKα","","0.0545","0.0467","","","0.1216","0.1284","","","","","","1.03","","","","has coordinates","230617","2020-10-21","18:00:00",""
"7156417","9.8979","0.0003","22.3751","0.0008","16.4276","0.0005","90","","105.896","0.003","90","","3499","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Dimericursone B","","- C82 H92 O8 -","- C82 H92 O8 -","- C164 H184 O16 -","2","1","","Liu, Jie-Qing; Xu, Ying; Xiao, Qin; Huang, Jin-Di; Ma, Jun-Jie; Lian, Chen-Lei; Huang, Mei-Ying; Du, Zhen-Bo; Wang, Cui-Fang","Dimericursones A and B: two unprecedented hexacyclic dimeric diterpenoids from the root barks of Jatropha curcas.","Organic & biomolecular chemistry","2018","16","37","8305","8310","10.1039/c8ob02082e","","x-ray","1.54184","CuKα","","0.058","0.0496","","","0.1249","0.1344","","","","","","1.031","","","","has coordinates","230617","2020-10-21","18:00:00",""
"7156418","9.7271","0.0019","7.2173","0.0014","11.15","0.002","90","","111.74","0.03","90","","727.1","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H17 F3 N2 O8 -","- C10 H17 F3 N2 O8 -","- C20 H34 F6 N4 O16 -","2","1","","Voznesenskaia, Natalia G.; Shmatova, Olga I.; Khrustalev, Victor N.; Nenajdenko, Valentine G.","Enantioselective synthesis of α-perfluoroalkylated prolines, their 6,7-membered homologues and derivatives.","Organic & biomolecular chemistry","2018","16","38","7004","7011","10.1039/c8ob01223g","","","0.9699","synchrotron","","0.0815","0.0562","","","0.1165","0.1365","","","","","","0.91","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156419","14.457","0.008","7.977","0.004","25.613","0.014","90","","96.424","0.009","90","","2935","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 N2 O4 -","- C17 H12 N2 O4 -","- C136 H96 N16 O32 -","8","2","","Pan, Dalong; Chu, Jinpeng; Gao, Xianrui; Wang, Cuiping; Meng, Qingtao; Chi, Haijun; Dong, Yan; Duan, Chunying; Zhang, Zhiqiang","Regioselective N-1 and C-2 diacylation of 3-substituted indoles with arylglyoxal hydrates for the synthesis of indolyl diketones.","Organic & biomolecular chemistry","2018","16","38","6998","7003","10.1039/c8ob01776j","","","0.71073","MoKα","","0.1545","0.0875","","","0.2152","0.2721","","","","","","1.148","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156420","11.222","0.009","10.455","0.008","13.216","0.01","90","","104.726","0.013","90","","1500","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 Br N O2 -","- C17 H12 Br N O2 -","- C68 H48 Br4 N4 O8 -","4","1","","Pan, Dalong; Chu, Jinpeng; Gao, Xianrui; Wang, Cuiping; Meng, Qingtao; Chi, Haijun; Dong, Yan; Duan, Chunying; Zhang, Zhiqiang","Regioselective N-1 and C-2 diacylation of 3-substituted indoles with arylglyoxal hydrates for the synthesis of indolyl diketones.","Organic & biomolecular chemistry","2018","16","38","6998","7003","10.1039/c8ob01776j","","","0.71073","MoKα","","0.0757","0.0665","","","0.1926","0.2026","","","","","","1.122","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156421","8.2385","0.0002","12.3118","0.0003","19.8734","0.0005","80.876","0.006","87.787","0.006","86.969","0.006","1986.55","0.09","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H56 N4 O6 S2 -","- C40 H56 N4 O6 S2 -","- C80 H112 N8 O12 S4 -","2","1","","Ito, Motoki; Nakagawa, Tomoya; Higuchi, Kazuhiro; Sugiyama, Shigeo","Dirhodium(ii)-catalyzed ortho C-H amination of sterically congested N,N-dialkylanilines.","Organic & biomolecular chemistry","2018","16","38","6876","6881","10.1039/c8ob01974f","","","1.54187","CuKα","","0.0383","0.0355","","","0.0943","0.0961","","","","","","1.044","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156422","26.8559","0.0007","5.3064","0.0001","13.945","0.0004","90","","101.233","0.001","90","","1949.21","0.08","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Furyl chalcone dimer","","- C26 H20 O6 -","- C26 H20 O6 -","- C104 H80 O24 -","4","0.5","","Kashyap, Akshay; Bokosike, Treyvon K.; Bhuvanesh, Nattamai; Pattabiraman, Mahesh","Stereo- and regioselective photocycloaddition of extended alkenes using γ-cyclodextrin.","Organic & biomolecular chemistry","2018","16","38","6870","6875","10.1039/c8ob01966e","","","1.54178","CuKα","","0.0398","0.0372","","","0.0931","0.0958","","","","","","1.067","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156423","9.3615","0.0003","11.4117","0.0004","12.4513","0.0004","105.753","0.002","98.617","0.002","95.08","0.002","1254.04","0.07","100","","100","","","","","","","","none","3","P -1","-P 1","2","","Parent Chalcone Dimer","","- C34 H28 O2 -","- C34 H28 O2 -","- C68 H56 O4 -","2","1","","Kashyap, Akshay; Bokosike, Treyvon K.; Bhuvanesh, Nattamai; Pattabiraman, Mahesh","Stereo- and regioselective photocycloaddition of extended alkenes using γ-cyclodextrin.","Organic & biomolecular chemistry","2018","16","38","6870","6875","10.1039/c8ob01966e","","","1.54178","CuKα","","0.0548","0.0452","","","0.1038","0.1102","","","","","","1.059","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156424","7.2405","0.0007","16.1028","0.0016","12.0426","0.0012","90","","91.275","0.002","90","","1403.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Cl O3 -","- C17 H15 Cl O3 -","- C68 H60 Cl4 O12 -","4","1","","Yang, Wei; Wang, Jingyi; Wang, He; Li, Lei; Guan, Yuekai; Xu, Xianxiu; Yu, Dayu","Rhodium(iii)-catalyzed three-component cascade synthesis of 6H-benzo[c]chromenes through C-H activation.","Organic & biomolecular chemistry","2018","16","38","6865","6869","10.1039/c8ob01938j","","","0.71073","MoKα","","0.085","0.0547","","","0.1337","0.1571","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156425","11.4816","0.0008","12.2451","0.0006","16.6439","0.0009","90","","90","","90","","2340","0.2","292.64","0.1","292.64","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H28 N4 O Si -","- C24 H28 N4 O Si -","- C96 H112 N16 O4 Si4 -","4","1","","Xie, Ming-Sheng; Cheng, Xuan; Chen, Yang-Guang; Wu, Xiao-Xia; Qu, Gui-Rong; Guo, Hai-Ming","Efficient synthesis of tetrazole hemiaminal silyl ethers via three-component hemiaminal silylation.","Organic & biomolecular chemistry","2018","16","38","6890","6894","10.1039/c8ob02089b","","x-ray","0.71073","MoKα","","0.0538","0.038","","","0.085","0.0911","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156426","6.543","0.0008","10.2385","0.0013","14.1084","0.0019","71.826","0.012","83.376","0.01","78.57","0.01","878.7","0.2","293","0.2","293","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H24 N4 O Si -","- C15 H24 N4 O Si -","- C30 H48 N8 O2 Si2 -","2","1","","Xie, Ming-Sheng; Cheng, Xuan; Chen, Yang-Guang; Wu, Xiao-Xia; Qu, Gui-Rong; Guo, Hai-Ming","Efficient synthesis of tetrazole hemiaminal silyl ethers via three-component hemiaminal silylation.","Organic & biomolecular chemistry","2018","16","38","6890","6894","10.1039/c8ob02089b","","x-ray","0.71073","MoKα","","0.0993","0.0675","","","0.1548","0.1727","","","","","","1.049","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156427","8.811","0.003","20.892","0.008","10.95","0.004","90","","105.717","0.012","90","","1940.3","1.2","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 Br N2 O3 -","- C24 H17 Br N2 O3 -","- C96 H68 Br4 N8 O12 -","4","1","","Su, Lin; Yu, Zheng; Ren, Peiling; Luo, Zhi; Hou, Wei; Xu, Hongtao","Ruthenium(ii)-catalyzed synthesis of indazolone-fused cinnolines via C-H coupling with diazo compounds.","Organic & biomolecular chemistry","2018","16","39","7236","7244","10.1039/c8ob02071j","","","0.71073","MoKα","","0.0661","0.0458","","","0.1138","0.1245","","","","","","1.042","","","","has coordinates","230696","2020-10-21","18:00:00",""
"7156428","13.0946","0.001","15.5628","0.0013","18.5598","0.0015","79.233","0.004","72.605","0.004","72.961","0.004","3430.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H87 Cl4 N7 O10 -","- C73 H87 Cl4 N7 O10 -","- C146 H174 Cl8 N14 O20 -","2","1","","Saura-Sanmartin, Adrian; Martinez-Cuezva, Alberto; Pastor, Aurelia; Bautista, Delia; Berna, Jose","Light-driven exchange between extended and contracted lasso-like isomers of a bistable [1]rotaxane.","Organic & biomolecular chemistry","2018","16","38","6980","6987","10.1039/c8ob02234h","","","0.71073","MoKα","","0.1042","0.0775","","","0.2158","0.2408","","","","","","1.016","","","","has coordinates,has disorder","230871","2020-10-21","18:00:00",""
"7156429","11.551","0.003","12.966","0.003","15.938","0.004","90","","104.819","0.006","90","","2307.6","1","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 F N2 O4 -","- C30 H25 F N2 O4 -","- C120 H100 F4 N8 O16 -","4","1","","Gupta, Vijay; Pandey, Satish K.; Singh, Ravi P.","Facile synthesis of triphenylenes and triphenylene/phenanthrene fused heteroaromatics.","Organic & biomolecular chemistry","2018","16","39","7134","7138","10.1039/c8ob01930d","","","0.71073","MoKα","","0.1613","0.0953","","","0.2305","0.2775","","","","","","1.065","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156430","6.9592","0.0004","9.9148","0.0005","27.7881","0.0015","90","","90","","90","","1917.35","0.18","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 N2 -","- C26 H20 N2 -","- C104 H80 N8 -","4","1","","Bulman Page, Philip C.; Kinsey, Francesca S.; Chan, Yohan; Strutt, Ian R.; Slawin, Alexandra M. Z.; Jones, Garth A.","Novel binaphthyl and biphenyl α- and β-amino acids and esters: organocatalysis of asymmetric Diels-Alder reactions. A combined synthetic and computational study.","Organic & biomolecular chemistry","2018","16","40","7400","7416","10.1039/c8ob01795f","","","1.54187","CuKα","","0.035","0.0337","","","0.0882","0.0894","","","","","","1.05","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156431","10.5475","0.0015","20.671","0.003","24.988","0.004","90","","90","","90","","5448.1","1.4","125","","125","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 F3 N O4 -","- C19 H18 F3 N O4 -","- C228 H216 F36 N12 O48 -","12","3","","Bulman Page, Philip C.; Kinsey, Francesca S.; Chan, Yohan; Strutt, Ian R.; Slawin, Alexandra M. Z.; Jones, Garth A.","Novel binaphthyl and biphenyl α- and β-amino acids and esters: organocatalysis of asymmetric Diels-Alder reactions. A combined synthetic and computational study.","Organic & biomolecular chemistry","2018","16","40","7400","7416","10.1039/c8ob01795f","","","1.54187","CuKα","","0.1068","0.0704","","","0.1662","0.1921","","","","","","0.981","","","","has coordinates","230777","2020-10-21","18:00:00",""
"7156432","8.0982","0.0007","16.4309","0.0013","10.0674","0.0008","90","","113.247","0.002","90","","1230.82","0.18","125","","125","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H31 N O2 -","- C31 H31 N O2 -","- C62 H62 N2 O4 -","2","1","","Bulman Page, Philip C.; Kinsey, Francesca S.; Chan, Yohan; Strutt, Ian R.; Slawin, Alexandra M. Z.; Jones, Garth A.","Novel binaphthyl and biphenyl α- and β-amino acids and esters: organocatalysis of asymmetric Diels-Alder reactions. A combined synthetic and computational study.","Organic & biomolecular chemistry","2018","16","40","7400","7416","10.1039/c8ob01795f","","","1.54187","CuKα","","0.0686","0.0563","","","0.0942","0.0986","","","","","","1.146","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156433","7.6334","0.0016","14.828","0.003","15.793","0.003","90","","90","","90","","1787.6","0.6","125","","125","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C96 H76 N4 O8 -","4","1","","Bulman Page, Philip C.; Kinsey, Francesca S.; Chan, Yohan; Strutt, Ian R.; Slawin, Alexandra M. Z.; Jones, Garth A.","Novel binaphthyl and biphenyl α- and β-amino acids and esters: organocatalysis of asymmetric Diels-Alder reactions. A combined synthetic and computational study.","Organic & biomolecular chemistry","2018","16","40","7400","7416","10.1039/c8ob01795f","","","1.54187","CuKα","","0.051","0.0499","","","0.1238","0.125","","","","","","1.066","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156434","5.56","0.005","7.747","0.007","22.119","0.019","90","","91.199","0.016","90","","952.5","1.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 F O2 -","- C11 H11 F O2 -","- C44 H44 F4 O8 -","4","1","","Minhas, Harsimran K.; Riley, William; Stuart, Alison M.; Urbonaite, Martyna","Activation of the hypervalent fluoroiodane reagent by hydrogen bonding to hexafluoroisopropanol.","Organic & biomolecular chemistry","2018","16","39","7170","7173","10.1039/c8ob02236d","","","0.71073","MoKα","","0.1177","0.0756","","","0.1612","0.1789","","","","","","0.934","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156435","10.1019","0.0017","9.4796","0.0016","9.9375","0.0017","90","","90","","90","","951.6","0.3","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","1","","Minhas, Harsimran K.; Riley, William; Stuart, Alison M.; Urbonaite, Martyna","Activation of the hypervalent fluoroiodane reagent by hydrogen bonding to hexafluoroisopropanol.","Organic & biomolecular chemistry","2018","16","39","7170","7173","10.1039/c8ob02236d","","","0.71073","MoKα","","0.0415","0.0378","","","0.0851","0.0865","","","","","","1.035","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156436","5.605","0.002","7.129","0.003","24.013","0.009","90","","90","","90","","959.5","0.6","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 F O2 -","- C11 H11 F O2 -","- C44 H44 F4 O8 -","4","1","","Minhas, Harsimran K.; Riley, William; Stuart, Alison M.; Urbonaite, Martyna","Activation of the hypervalent fluoroiodane reagent by hydrogen bonding to hexafluoroisopropanol.","Organic & biomolecular chemistry","2018","16","39","7170","7173","10.1039/c8ob02236d","","","0.71073","MoKα","","0.0563","0.0478","","","0.1044","0.1075","","","","","","1.086","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156437","8.3403","0.0002","15.6568","0.0004","16.7849","0.0004","90","","90","","90","","2191.81","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H17 Br O5 -","- C26 H17 Br O5 -","- C104 H68 Br4 O20 -","4","1","","Xu, Han; Sha, Feng; Li, Qiong; Wu, Xin-Yan","Catalytic asymmetric Tamura cycloaddition of homophthalic anhydrides with 2-arylidene-1,3-diones.","Organic & biomolecular chemistry","2018","16","39","7214","7222","10.1039/c8ob01970c","","","0.71073","MoKα","","0.0327","0.0276","","","0.0669","0.0694","","","","","","1.022","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156438","16.19","0.002","19.621","0.003","8.6624","0.0015","90","","95.873","0.013","90","","2737.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 N2 O4 -","- C31 H26 N2 O4 -","- C124 H104 N8 O16 -","4","1","","Wang, Qing; Huang, Kun; Cai, Songtao; Liu, Chang; Jiao, Xiaojie; He, Song; Zhao, Liancheng; Zeng, Xianshun","Synthesis of near-infrared fluorescent rhodamines via an S<sub>N</sub>Ar<sup>H</sup> reaction and their biological applications.","Organic & biomolecular chemistry","2018","16","39","7163","7169","10.1039/c8ob01701h","","x-ray","0.71073","MoKα","","0.1093","0.0577","","","0.1378","0.1599","","","","","","0.918","","","","has coordinates","230694","2020-10-21","18:00:00",""
"7156439","9.4624","0.0008","10.6408","0.0009","12.1773","0.0011","65.565","0.001","86.673","0.002","68.952","0.001","1035.87","0.16","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H24 O5 -","- C25 H24 O5 -","- C50 H48 O10 -","2","1","","Wang, Jia-Yin; Xie, Feng-Lie; Hu, Jian-Qiang; Yang, Shi-Zhao; Wang, You-Jian; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo","Atom-economic synthesis of cyclobuta[a]naphthalen-4-ols via a base-promoted [2 + 2] cycloaddition/1,6-nucleophilic addition cascade.","Organic & biomolecular chemistry","2018","16","39","7104","7108","10.1039/c8ob02042f","","","0.71073","MoKα","","0.0755","0.0471","","","0.1048","0.1151","","","","","","1.049","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156440","7.2034","0.0005","10.7772","0.0007","10.7933","0.0007","103.292","0.006","93.266","0.005","105.419","0.006","779.86","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H20 N2 -","- C20 H20 N2 -","- C40 H40 N4 -","2","1","","Pan, Xuan; Ma, Yantao; Liu, Zhanzhu","A concise synthesis of (E)-3-aryl-2,3,4,5-tetrahydro-1H-3-benzazonines by aryne induced [2,3] Stevens rearrangement of 1,2,3,4-tetrahydroisoquinolines.","Organic & biomolecular chemistry","2018","16","40","7393","7399","10.1039/c8ob02099j","","x-ray","0.71073","MoKα","","0.0545","0.0445","","","0.1043","0.1132","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156441","8.9977","0.0004","10.0861","0.0006","14.7007","0.0006","86.402","0.004","72.916","0.004","65.81","0.005","1160.73","0.11","294.24","0.1","294.24","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H66 O8 P2 Rh2 -","- C44 H66 O8 P2 Rh2 -","- C44 H66 O8 P2 Rh2 -","1","0.5","","Ma, Ziling; Wang, Yuanhua","Dirhodium(ii)/P(t-Bu)<sub>3</sub> catalyzed tandem reaction of α,β-unsaturated aldehydes with arylboronic acids.","Organic & biomolecular chemistry","2018","16","40","7470","7476","10.1039/c8ob01997e","","x-ray","1.54184","CuKα","","0.0466","0.0422","","","0.1138","0.12","","","","","","1.035","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156442","8.7113","0.0004","9.9865","0.0005","14.7594","0.0008","78.689","0.004","73.106","0.005","64.253","0.005","1102.97","0.11","294.24","0.1","294.24","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H54 O8 P2 Rh2 -","- C44 H54 O8 P2 Rh2 -","- C44 H54 O8 P2 Rh2 -","1","0.5","","Ma, Ziling; Wang, Yuanhua","Dirhodium(ii)/P(t-Bu)<sub>3</sub> catalyzed tandem reaction of α,β-unsaturated aldehydes with arylboronic acids.","Organic & biomolecular chemistry","2018","16","40","7470","7476","10.1039/c8ob01997e","","x-ray","1.54184","CuKα","","0.0626","0.0538","","","0.142","0.1563","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156443","10.8008","0.0007","7.1714","0.0003","12.5418","0.0007","90","","101.366","0.002","90","","952.4","0.09","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H20 N2 O3 -","- C23 H20 N2 O3 -","- C46 H40 N4 O6 -","2","1","","Ghorai, Jayanta; Chaitanya, Manthena; Anbarasan, Pazhamalai","Cp*Co(iii)-catalysed selective alkylation of C-H bonds of arenes and heteroarenes with α-diazocarbonyl compounds.","Organic & biomolecular chemistry","2018","16","40","7346","7350","10.1039/c8ob02111b","","x-ray","0.71073","MoKα","","0.0305","0.0283","","","0.0697","0.0718","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156444","17.651","0.004","11.598","0.003","18.625","0.005","90","","98.778","0.005","90","","3768.2","1.6","293","2","293","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 Br2 O10 -","- C38 H34 Br2 O10 -","- C152 H136 Br8 O40 -","4","1","","Karki, Bhupal Singh; Pramanik, Mukund M. D.; Kant, Ruchir; Rastogi, Namrata","Visible light catalyzed reaction of α-bromochalcones with chalcones: direct access to the urundeuvine scaffold.","Organic & biomolecular chemistry","2018","16","39","7152","7156","10.1039/c8ob01881b","","","0.71075","MoKα","","0.1436","0.0647","","","0.1534","0.1871","","","","","","0.999","","","","has coordinates","230693","2020-10-21","18:00:00",""
"7156445","13.541","0.008","9.928","0.006","20.222","0.015","90","","90.67","0.014","90","","2718","3","293","2","293","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 N O5 -","- C31 H23 N O5 -","- C124 H92 N4 O20 -","4","1","","Karki, Bhupal Singh; Pramanik, Mukund M. D.; Kant, Ruchir; Rastogi, Namrata","Visible light catalyzed reaction of α-bromochalcones with chalcones: direct access to the urundeuvine scaffold.","Organic & biomolecular chemistry","2018","16","39","7152","7156","10.1039/c8ob01881b","","","0.71075","MoKα","","0.2578","0.0936","","","0.2429","0.2884","","","","","","0.859","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156446","7.0651","0.0002","7.1483","0.0003","17.7906","0.0005","83.865","0.003","81.293","0.002","75.066","0.003","855.97","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 N O5 S -","- C19 H15 N O5 S -","- C38 H30 N2 O10 S2 -","2","1","","Habert, Loïc; Retailleau, Pascal; Gillaizeau, Isabelle","Rapid synthesis of 3-amino isocoumarin derivatives from ynamides.","Organic & biomolecular chemistry","2018","16","40","7351","7355","10.1039/c8ob02305k","","x-ray","0.71073","MoKα","","0.0524","0.0425","","","0.1178","0.1244","","","","","","1.071","","","","has coordinates","230779","2020-10-21","18:00:00",""
"7156447","19.3435","0.0009","25.2081","0.0011","20.5824","0.0014","90","","110.81","0.008","90","","9381.5","1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C109 H114 Cl2 O10 -","- C109 H114 Cl2 O10 -","- C436 H456 Cl8 O40 -","4","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","An alternative route for the synthesis of hydroxylated pillar[5]arene-based amphiphiles.","Organic & biomolecular chemistry","2018","16","40","7513","7517","10.1039/c8ob02074d","","","0.71075","MoKα","","0.1948","0.0977","","","0.2708","0.3362","","","","","","1.037","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156448","20.536","0.0005","21.5224","0.0005","20.996","0.0015","90","","109.55","0.008","90","","8744.9","0.8","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C109 H98 Cl4 O10 -","- C109 H98 Cl4 O10 -","- C436 H392 Cl16 O40 -","4","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","An alternative route for the synthesis of hydroxylated pillar[5]arene-based amphiphiles.","Organic & biomolecular chemistry","2018","16","40","7513","7517","10.1039/c8ob02074d","","","0.71075","MoKα","","0.1022","0.0753","","","0.2366","0.2626","","","","","","1.087","","","","has coordinates","230780","2020-10-21","18:00:00",""
"7156449","9.0912","0.0017","17.553","0.003","20.148","0.004","90","","90","","90","","3215.2","1","296","2","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H28 F2 N2 O S -","- C31 H28 F2 N2 O S -","- C124 H112 F8 N8 O4 S4 -","4","1","","Liu, Feng; Zhao, Guoqing; Cai, Weiqi; Xu, Dongfang; Zhao, Baoguo","Aminative Umpolung cyclization for synthesis of chiral exocyclic vicinal diamines.","Organic & biomolecular chemistry","2018","16","40","7498","7502","10.1039/c8ob02000k","","","0.71073","MoKα","","0.1577","0.067","","","0.178","0.2264","","","","","","0.998","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156450","11.2418","0.0017","11.3491","0.0016","11.7184","0.0018","98.339","0.003","114.149","0.003","93.521","0.003","1337.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H28 F2 N2 O S -","- C31 H28 F2 N2 O S -","- C62 H56 F4 N4 O2 S2 -","2","1","","Liu, Feng; Zhao, Guoqing; Cai, Weiqi; Xu, Dongfang; Zhao, Baoguo","Aminative Umpolung cyclization for synthesis of chiral exocyclic vicinal diamines.","Organic & biomolecular chemistry","2018","16","40","7498","7502","10.1039/c8ob02000k","","","0.71073","MoKα","","0.0755","0.0588","","","0.1384","0.1492","","","","","","1.049","","","","has coordinates,has disorder","301861","2025-08-22","11:12:38",""
"7156451","12.628","0.0004","12.0003","0.0003","26.2562","0.0008","90","","96.197","0.003","90","","3955.6","0.2","299.68","0.1","299.68","0.1","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C42 H29 N O7 -","- C42 H29 N O7 -","- C168 H116 N4 O28 -","4","1","","Wang, Qing; Jiao, Xiaojie; Liu, Chang; Huang, Kun; He, Song; Zhao, Liancheng; Zeng, Xianshun","Novel π-extended hybrid xanthene dyes with two spirolactone rings for optoelectronic and biological applications.","Organic & biomolecular chemistry","2018","16","41","7609","7618","10.1039/c8ob01671b","","x-ray","1.54184","CuKα","","0.1121","0.0974","","","0.2989","0.315","","","","","","1.052","","","","has coordinates,has disorder","301861","2025-08-22","11:12:38",""
"7156452","27.129","0.017","18.648","0.017","12.694","0.009","90","","113.879","0.012","90","","5872","8","100.15","","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","oDL2tTtPP","","- C69 H74 Cl2 N6 O4 -","- C69 H74 Cl2 N6 O4 -","- C276 H296 Cl8 N24 O16 -","4","0.5","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","0.71073","MoKα","","0.1834","0.1151","","","0.2942","0.3314","","","","","","1.027","","","","has coordinates,has disorder","230629","2020-10-21","18:00:00",""
"7156453","15.965","0.003","27.529","0.004","15.694","0.003","90","","96.929","0.004","90","","6847","2","113","2","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","DL6TtPP","","- C73 H85 Cl3 N4 O4 -","- C73 H85 Cl3 N4 O4 -","- C292 H340 Cl12 N16 O16 -","4","1","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","0.71073","MoKα","","0.0991","0.0821","","","0.1906","0.2015","","","","","","1.07","","","","has coordinates,has disorder","230629","2020-10-21","18:00:00",""
"7156454","14.617","0.0015","14.7467","0.0011","16.7737","0.0016","103.061","0.007","96.845","0.008","96.377","0.007","3461.2","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","oDL4tTtPP","","- C68 H76 N4 O4 -","- C68 H75 N4 O4 -","- C136 H150 N8 O8 -","2","1","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","1.54184","CuKα","","0.1952","0.126","","","0.3181","0.378","","","","","","0.889","","","","has coordinates","230629","2020-10-21","18:00:00",""
"7156455","14.492","0.003","17.096","0.003","17.259","0.004","63.01","0.03","80.01","0.03","72.54","0.03","3631.2","1.7","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","DL5TtPP","","- C70 H78 N4 O4 -","- C70 H78 N4 O4 -","- C140 H156 N8 O8 -","2","1","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","0.71073","MoKα","","0.2349","0.1578","","","0.3651","0.3934","","","","","","0.804","","","","has coordinates,has disorder","230629","2020-10-21","18:00:00",""
"7156456","18.3696","0.0016","18.3696","0.0016","21.91","0.003","90","","90","","90","","7393.4","1.4","296","2","296","2","","","","","","","","4","I 41","I 4bw","80","","oDL2cTtPP","","- C64 H66 N4 O4 -","- C64 H66 N4 O4 -","- C256 H264 N16 O16 -","4","0.5","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","0.71073","MoKα","","0.1849","0.1274","","","0.2902","0.3176","","","","","","0.897","","","","has coordinates,has disorder","230629","2020-10-21","18:00:00",""
"7156457","15.6212","0.0004","31.4079","0.0012","25.8937","0.0007","90","","90","","90","","12704.2","0.7","124","3","124","3","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","oDL5cTtPP","","- C141 H157 Cl3 N8 O8 -","- C141 H157 Cl3 N8 O8 -","- C564 H628 Cl12 N32 O32 -","4","1","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","x-ray","1.54184","CuKα","","0.1347","0.0831","","","0.213","0.2486","","","","","","1.003","","","","has coordinates,has disorder","230629","2020-10-21","18:00:00",""
"7156458","15.8871","0.0007","15.388","0.0006","28.3212","0.001","90","","99.078","0.004","90","","6837","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","oDL4cTtPP","","- C71 H77 Cl9 N4 O4 -","- C71 H77 Cl9 N4 O4 -","- C284 H308 Cl36 N16 O16 -","4","1","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","1.54184","CuKα","","0.1129","0.0923","","","0.2596","0.2835","","","","","","1.024","","","","has coordinates,has disorder","230629","2020-10-21","18:00:00",""
"7156459","14.0704","0.0007","15.4579","0.0008","16.7918","0.0007","94.439","0.004","104.38","0.004","95.483","0.004","3502.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","oDL5tTtPP","","- C71 H78 Cl3 N4 O4 -","- C71 H78 Cl3 N4 O4 -","- C142 H156 Cl6 N8 O8 -","2","1","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","1.54184","CuKα","","0.119","0.0868","","","0.241","0.2689","","","","","","1.088","","","","has coordinates,has disorder","230629","2020-10-21","18:00:00",""
"7156460","13.8646","0.0009","15.0707","0.001","16.8583","0.0011","109.209","0.006","103.622","0.006","95.483","0.005","3174.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","oDL3tTtPP","","- C69 H74 Cl6 N4 O5 -","- C69 H65 Cl6 N4 O5 -","- C138 H130 Cl12 N8 O10 -","2","1","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","1.54184","CuKα","","0.1372","0.1076","","","0.293","0.335","","","","","","1.196","","","","has coordinates,has disorder","230629","2020-10-21","18:00:00",""
"7156461","15.686","0.003","17.859","0.004","30.123","0.006","83.93","0.03","80.74","0.03","65.76","0.03","7587","3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","DL7TtPP","","- C76 H87 Cl6 N4 O4 -","- C76 H87 Cl6 N4 O4 -","- C304 H348 Cl24 N16 O16 -","4","2","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","0.71073","MoKα","","0.1615","0.1116","","","0.312","0.3652","","","","","","1.157","","","","has coordinates,has disorder","230629","2020-10-21","18:00:00",""
"7156462","14.032","0.0014","16.469","0.0018","16.525","0.0018","114.288","0.013","91.261","0.002","94.928","0.015","3461","0.7","113","2","113.15","","","","","","","","","4","P -1","-P 1","2","","DL4TtPP","","- C74 H79 N5 O6 -","- C74 H79 N5 O6 -","- C148 H158 N10 O12 -","2","1","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","1.54187","CuKα","","0.0766","0.0699","","","0.1908","0.2047","","","","","","1.089","","","","has coordinates","230629","2020-10-21","18:00:00",""
"7156463","16.2769","0.0018","18.6656","0.0014","19.3939","0.0016","90","","90","","90","","5892.2","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","oDL3cTtPP","","- C66 H70 N4 O4 -","- C66 H70 N4 O4 -","- C264 H280 N16 O16 -","4","1","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","1.54184","CuKα","","0.1421","0.1041","","","0.28","0.3139","","","","","","1","","","","has coordinates","230629","2020-10-21","18:00:00",""
"7156466","7.2086","0.0002","12.6711","0.0004","8.3699","0.0003","90","","98.408","0.003","90","","756.3","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H13 N O3 -","- C20 H13 N O3 -","- C40 H26 N2 O6 -","2","1","","Panda, Niranjan; Mattan, Irshad; Ojha, Subhadra; Purohit, Chandra Shekhar","Synthesis of medium-sized (6-7-6) ring compounds by iron-catalyzed C-H activation/annulation [corrected].","Organic & biomolecular chemistry","2018","16","42","7861","7870","10.1039/c8ob01496e","","","1.54184","CuKα","","0.0448","0.0426","","","0.1169","0.1204","","","","","","1.083","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156467","8.2532","0.0008","11.5789","0.0013","13.3091","0.0016","76.209","0.01","88.157","0.009","74.094","0.009","1187.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5-(diethoxyphosphoryl)isoxazole-3-carboxylic acid","","- C8 H12 N O6 P -","- C8 H12 N O6 P -","- C32 H48 N4 O24 P4 -","4","2","","Chalyk, Bohdan A.; Sosedko, Alona S.; Volochnyuk, Dmitriy M.; Tolmachev, Andrey A.; Gavrilenko, Konstantin S.; Liashuk, Oleksandr S.; Grygorenko, Oleksandr O.","Regioselective synthesis of isoxazole and 1,2,4-oxadiazole-derived phosphonates via [3 + 2] cycloaddition.","Organic & biomolecular chemistry","2018","16","47","9152","9164","10.1039/c8ob02257g","","","0.71073","MoKα","","0.1456","0.0581","","","0.1181","0.1483","","","","","","0.879","","","","has coordinates,has disorder","301861","2025-08-22","11:12:38",""
"7156468","6.8559","0.0006","13.8455","0.0012","12.3109","0.0011","90","","97.553","0.003","90","","1158.45","0.18","571","2","571","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Br N O2 -","- C12 H12 Br N O2 -","- C48 H48 Br4 N4 O8 -","4","1","","Huang, Songhai; Niu, Pengfei; Su, Yingpeng; Hu, Dongcheng; Huo, Congde","Tandem radical cyclization of N-methacryloyl benzamides with CBr<sub>4</sub> to construct brominated isoquinolinediones.","Organic & biomolecular chemistry","2018","16","41","7748","7752","10.1039/c8ob01964a","","","0.71073","MoKα","","0.0715","0.0573","","","0.134","0.1412","","","","","","1.059","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156469","13.3657","0.0005","10.039","0.0003","15.8436","0.0005","90","","97.407","0.003","90","","2108.13","0.12","162","30","162","30","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 N2 O4 -","- C27 H20 N2 O4 -","- C108 H80 N8 O16 -","4","1","","Li, Fen; Li, Xiaohui; Zhang, Xin","Dynamic Diels-Alder reactions of maleimide-furan amphiphiles and their fluorescence ON/OFF behaviours.","Organic & biomolecular chemistry","2018","16","42","7871","7877","10.1039/c8ob01944d","","","0.71073","MoKα","","0.0672","0.0497","","","0.1138","0.1256","","","","","","1.043","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156470","9.6173","0.001","12.7178","0.001","11.2532","0.001","90","","95.476","0.01","90","","1370.1","0.2","295.05","0.1","295.05","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O -","- C18 H17 N O -","- C72 H68 N4 O4 -","4","1","","Li, Lian-Hua; Niu, Zhi-Jie; Liang, Yong-Min","New Friedel-Crafts strategy for preparing 3-acylindoles.","Organic & biomolecular chemistry","2018","16","42","7792","7796","10.1039/c8ob02094a","","","0.71073","MoKα","","0.0953","0.0608","","","0.1625","0.1982","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156471","22.0489","0.0005","15.0516","0.0003","18.1612","0.0004","90","","108.711","0.003","90","","5708.6","0.2","290.04","0.1","290.04","0.1","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C18 H17 N O -","- C18 H17 N O -","- C288 H272 N16 O16 -","16","2","","Li, Lian-Hua; Niu, Zhi-Jie; Liang, Yong-Min","New Friedel-Crafts strategy for preparing 3-acylindoles.","Organic & biomolecular chemistry","2018","16","42","7792","7796","10.1039/c8ob02094a","","x-ray","1.54184","CuKα","","0.0506","0.0416","","","0.1075","0.1155","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156472","9.2569","0.0018","15.608","0.002","10.8924","0.0018","90","","105.432","0.019","90","","1517","0.5","232","6","232","6","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","1","","Li, Lian-Hua; Niu, Zhi-Jie; Liang, Yong-Min","New Friedel-Crafts strategy for preparing 3-acylindoles.","Organic & biomolecular chemistry","2018","16","42","7792","7796","10.1039/c8ob02094a","","","0.71073","MoKα","","0.1253","0.0812","","","0.1884","0.2195","","","","","","1.106","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156473","8.4795","0.0003","11.3762","0.0004","16.221","0.0005","90","","92.399","0.003","90","","1563.38","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Br N O -","- C18 H16 Br N O -","- C72 H64 Br4 N4 O4 -","4","1","","Li, Lian-Hua; Niu, Zhi-Jie; Liang, Yong-Min","New Friedel-Crafts strategy for preparing 3-acylindoles.","Organic & biomolecular chemistry","2018","16","42","7792","7796","10.1039/c8ob02094a","","","1.54184","CuKα","","0.0518","0.043","","","0.1103","0.1183","","","","","","1.059","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156474","6.2318","0.0001","19.0611","0.0003","30.5102","0.0004","90","","95.174","0.001","90","","3609.39","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Cl O -","- C23 H17 Cl O -","- C184 H136 Cl8 O8 -","8","2","","Aleksandrova, Maiia I.; Lozovskiy, Stanislav V.; Saulnier, Steve; Golovanov, Alexander A.; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Hydroarylation of unsaturated carbon-carbon bonds in cross-conjugated enynones under the action of superacid CF<sub>3</sub>SO<sub>3</sub>H or acidic zeolite HUSY. Reaction mechanism and DFT study on cationic intermediate species.","Organic & biomolecular chemistry","2018","16","42","7891","7902","10.1039/c8ob01985a","","x-ray","1.54184","CuKα","","0.057","0.0525","","","0.153","0.1576","","","","","","1.08","","","","has coordinates","230687","2020-10-21","18:00:00",""
"7156475","30.335","0.006","5.7303","0.001","7.396","0.0018","90","","92.47","0.02","90","","1284.4","0.5","100","3","100","3","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H13 F O2 -","- C17 H13 F O2 -","- C68 H52 F4 O8 -","4","1","","Aleksandrova, Maiia I.; Lozovskiy, Stanislav V.; Saulnier, Steve; Golovanov, Alexander A.; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Hydroarylation of unsaturated carbon-carbon bonds in cross-conjugated enynones under the action of superacid CF<sub>3</sub>SO<sub>3</sub>H or acidic zeolite HUSY. Reaction mechanism and DFT study on cationic intermediate species.","Organic & biomolecular chemistry","2018","16","42","7891","7902","10.1039/c8ob01985a","","x-ray","1.54184","CuKα","","0.1187","0.0982","","","0.2545","0.2959","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:12:38",""
"7156476","6.20717","0.00015","38.6061","0.0011","14.5881","0.0003","90","","99.406","0.002","90","","3448.81","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 F O -","- C23 H17 F O -","- C184 H136 F8 O8 -","8","2","","Aleksandrova, Maiia I.; Lozovskiy, Stanislav V.; Saulnier, Steve; Golovanov, Alexander A.; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Hydroarylation of unsaturated carbon-carbon bonds in cross-conjugated enynones under the action of superacid CF<sub>3</sub>SO<sub>3</sub>H or acidic zeolite HUSY. Reaction mechanism and DFT study on cationic intermediate species.","Organic & biomolecular chemistry","2018","16","42","7891","7902","10.1039/c8ob01985a","","x-ray","1.54184","CuKα","","0.0472","0.0418","","","0.1103","0.1144","","","","","","1.073","","","","has coordinates","230687","2020-10-21","18:00:00",""
"7156477","8.47709","0.00019","19.3161","0.0004","10.6412","0.0002","90","","96.21","0.002","90","","1732.21","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 F O -","- C23 H17 F O -","- C92 H68 F4 O4 -","4","1","","Aleksandrova, Maiia I.; Lozovskiy, Stanislav V.; Saulnier, Steve; Golovanov, Alexander A.; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Hydroarylation of unsaturated carbon-carbon bonds in cross-conjugated enynones under the action of superacid CF<sub>3</sub>SO<sub>3</sub>H or acidic zeolite HUSY. Reaction mechanism and DFT study on cationic intermediate species.","Organic & biomolecular chemistry","2018","16","42","7891","7902","10.1039/c8ob01985a","","","0.71073","MoKα","","0.0477","0.0399","","","0.0972","0.1018","","","","","","1.032","","","","has coordinates","230687","2020-10-21","18:00:00",""
"7156478","7.6982","0.0005","12.0382","0.0007","17.5134","0.0012","90","","90","","90","","1623.01","0.18","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H16 O S -","- C21 H16 O S -","- C84 H64 O4 S4 -","4","1","","Aleksandrova, Maiia I.; Lozovskiy, Stanislav V.; Saulnier, Steve; Golovanov, Alexander A.; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Hydroarylation of unsaturated carbon-carbon bonds in cross-conjugated enynones under the action of superacid CF<sub>3</sub>SO<sub>3</sub>H or acidic zeolite HUSY. Reaction mechanism and DFT study on cationic intermediate species.","Organic & biomolecular chemistry","2018","16","42","7891","7902","10.1039/c8ob01985a","","x-ray","1.54184","CuKα","","0.0566","0.0508","","","0.1173","0.1205","","","","","","1.042","","","","has coordinates,has disorder","230687","2020-10-21","18:00:00",""
"7156479","7.7514","0.0001","12.0257","0.0002","17.7094","0.0003","90","","90","","90","","1650.8","0.04","100.01","0.1","100.01","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H18 O -","- C23 H18 O -","- C92 H72 O4 -","4","1","","Aleksandrova, Maiia I.; Lozovskiy, Stanislav V.; Saulnier, Steve; Golovanov, Alexander A.; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Hydroarylation of unsaturated carbon-carbon bonds in cross-conjugated enynones under the action of superacid CF<sub>3</sub>SO<sub>3</sub>H or acidic zeolite HUSY. Reaction mechanism and DFT study on cationic intermediate species.","Organic & biomolecular chemistry","2018","16","42","7891","7902","10.1039/c8ob01985a","","x-ray","1.54184","CuKα","","0.0313","0.0305","","","0.0747","0.0756","","","","","","1.06","","","","has coordinates","230687","2020-10-21","18:00:00",""
"7156480","12.8458","0.0005","5.3427","0.0002","24.6144","0.001","90","","101.767","0.003","90","","1653.82","0.11","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2h","N-Phenyl-N'-propyl-6-phenyl-2-iminotetrahydro-1,3-thiazin-4-one","","- C19 H20 N2 O S -","- C19 H20 N2 O S -","- C76 H80 N8 O4 S4 -","4","1","","Saito, Rei; Uemura, Naohiro; Ishikawa, Hiroki; Magara, Akina; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Umpolung cyclization reaction of N-cinnamoylthioureas in the presence of DBU.","Organic & biomolecular chemistry","2018","16","42","7910","7919","10.1039/c8ob02066c","","","1.54178","","","0.0696","0.0495","","","0.1324","0.1416","","","","","","1.007","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156481","13.0104","0.0007","5.4301","0.0003","24.2997","0.0015","90","","101.772","0.004","90","","1680.61","0.17","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2i","N-Phenyl-N'-isopropyl-6-phenyl-2-iminotetrahydro-1,3-thiazin-4-one","","- C19 H20 N2 O S -","- C19 H20 N2 O S -","- C76 H80 N8 O4 S4 -","4","1","","Saito, Rei; Uemura, Naohiro; Ishikawa, Hiroki; Magara, Akina; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Umpolung cyclization reaction of N-cinnamoylthioureas in the presence of DBU.","Organic & biomolecular chemistry","2018","16","42","7910","7919","10.1039/c8ob02066c","","","1.54178","CuKα","","0.0546","0.0469","","","0.1317","0.1377","","","","","","1.055","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156482","34.665","0.004","6.9265","0.0009","14.4146","0.0018","90","","113.137","0.001","90","","3182.7","0.7","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4g","N-Phenyl-N'-ethyl-5-benzyl-2-iminothiazolidin-4-one","","- C18 H18 N2 O S -","- C18 H18 N2 O S -","- C144 H144 N16 O8 S8 -","8","1","","Saito, Rei; Uemura, Naohiro; Ishikawa, Hiroki; Magara, Akina; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Umpolung cyclization reaction of N-cinnamoylthioureas in the presence of DBU.","Organic & biomolecular chemistry","2018","16","42","7910","7919","10.1039/c8ob02066c","","","0.71073","MoKα","","0.038","0.031","","","0.0789","0.0871","","","","","","1.042","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156483","8.7745","0.0014","9.4352","0.0016","20.409","0.003","93.504","0.002","97.479","0.002","90.918","0.002","1671.6","0.5","173","","173","","","","","","","","","5","P -1","-P 1","2","5c","5-Benzyl-5-hydroxy-1,3-diisopropyl-2-thioxoimidazolidin-4-one","","- C16 H22 N2 O2 S -","- C16 H22 N2 O2 S -","- C64 H88 N8 O8 S4 -","4","2","","Saito, Rei; Uemura, Naohiro; Ishikawa, Hiroki; Magara, Akina; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Umpolung cyclization reaction of N-cinnamoylthioureas in the presence of DBU.","Organic & biomolecular chemistry","2018","16","42","7910","7919","10.1039/c8ob02066c","","","0.71073","MoKα","","0.0851","0.0538","","","0.1302","0.1602","","","","","","0.999","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156484","12.413","0.0015","17.816","0.002","7.9085","0.001","90","","106.841","0.002","90","","1674","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3i","5-Benzyl-3-isopropyl-1-phenyl-2-thioxoimidazolidin-4-one","","- C19 H20 N2 O S -","- C19 H20 N2 O S -","- C76 H80 N8 O4 S4 -","4","1","","Saito, Rei; Uemura, Naohiro; Ishikawa, Hiroki; Magara, Akina; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Umpolung cyclization reaction of N-cinnamoylthioureas in the presence of DBU.","Organic & biomolecular chemistry","2018","16","42","7910","7919","10.1039/c8ob02066c","","","0.71073","MoKα","","0.0924","0.0512","","","0.117","0.1447","","","","","","0.929","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156485","8.887","0.002","9.348","0.002","12.182","0.003","80.025","0.003","72.125","0.003","88.273","0.003","948.3","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","3j","N',5-Dibenzyl-N-phenyl-2-thiohydantoin","","- C23 H20 N2 O S -","- C23 H20 N2 O S -","- C46 H40 N4 O2 S2 -","2","1","","Saito, Rei; Uemura, Naohiro; Ishikawa, Hiroki; Magara, Akina; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Umpolung cyclization reaction of N-cinnamoylthioureas in the presence of DBU.","Organic & biomolecular chemistry","2018","16","42","7910","7919","10.1039/c8ob02066c","","","0.71073","MoKα","","0.0429","0.0365","","","0.0914","0.0954","","","","","","1.065","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156486","13.613","0.002","5.3251","0.0009","26.026","0.004","90","","95.958","0.003","90","","1876.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2j","N-Phenyl-N'-benzyl-6-phenyl-2-iminotetrahydro-1,3-thiazin-4-one","","- C23 H20 N2 O S -","- C23 H20 N2 O S -","- C92 H80 N8 O4 S4 -","4","1","","Saito, Rei; Uemura, Naohiro; Ishikawa, Hiroki; Magara, Akina; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Umpolung cyclization reaction of N-cinnamoylthioureas in the presence of DBU.","Organic & biomolecular chemistry","2018","16","42","7910","7919","10.1039/c8ob02066c","","","0.71073","MoKα","","0.0974","0.0521","","","0.1235","0.1597","","","","","","0.966","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156487","11.016","0.0004","11.9919","0.0004","13.0752","0.0005","89.518","0.001","75.55","0.001","80.31","0.001","1647.74","0.1","110","2","110","2","","","","","","","","4","P -1","-P 1","2","phenylethynyl trimethylsilyl indol","1-(phenylethynyl)2-(trimethylsilyl)-1H-indol","","- C38 H38 N2 Si2 -","- C38 H38 N2 Si2 -","- C76 H76 N4 Si4 -","2","1","","Prochnow, Thaís; Maroneze, Adriano; Back, Davi F.; Jardim, Natalia S.; Nogueira, Cristina W.; Zeni, Gilson","Synthesis and anticholinesterase activity of 2-substituted-N-alkynylindoles.","Organic & biomolecular chemistry","2018","16","42","7926","7934","10.1039/c8ob02165a","","","0.71073","MoKα","","0.0435","0.0355","","","0.0903","0.0946","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156488","11.7077","0.0018","9.7297","0.0013","18.751","0.002","90","","116.691","0.008","90","","1908.4","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 Br O -","- C24 H21 Br O -","- C96 H84 Br4 O4 -","4","1","","Yaragorla, Srinivasarao; Khan, Tabassum","An unexpected thermal-ring-rearrangement of benzochromenes to inden-3-yl-naphthols with pTsOH.","Organic & biomolecular chemistry","2018","16","42","7920","7925","10.1039/c8ob02264j","","","0.71073","MoKα","","0.0748","0.043","","","0.0904","0.1034","","","","","","1.03","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156489","12.928","0.003","16.007","0.004","8.3586","0.0016","90","","94.097","0.007","90","","1725.3","0.7","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Br O -","- C21 H17 Br O -","- C84 H68 Br4 O4 -","4","1","","Yaragorla, Srinivasarao; Khan, Tabassum","An unexpected thermal-ring-rearrangement of benzochromenes to inden-3-yl-naphthols with pTsOH.","Organic & biomolecular chemistry","2018","16","42","7920","7925","10.1039/c8ob02264j","","","0.71073","MoKα","","0.0972","0.0444","","","0.0916","0.1049","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156491","10.994","0.0002","17.4175","0.0004","19.4407","0.0004","90","","90","","90","","3722.66","0.13","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H62 O7 -","- C40 H62 O7 -","- C160 H248 O28 -","4","1","","Guo, Yi; Zhang, Na; Sun, Weiguang; Duan, Xueyan; Zhang, Qing; Zhou, Qun; Chen, Chunmei; Zhu, Hucheng; Luo, Zengwei; Liu, Junjun; Li, Xiao-Nian; Xue, Yongbo; Zhang, Yonghui","Bioactive polycyclic polyprenylated acylphloroglucinols from Hypericum perforatum.","Organic & biomolecular chemistry","2018","16","43","8130","8143","10.1039/c8ob02067a","","","1.54178","CuKα","","0.0423","0.042","","","0.1099","0.1102","","","","","","1.059","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156492","11.7774","0.0002","22.0334","0.0004","14.1047","0.0003","90","","104.437","0.001","90","","3544.54","0.12","100","2","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N5 -","- C22 H17 N5 -","- C176 H136 N40 -","8","2","","Lai, Qi; Liu, Qing; He, Ying; Zhao, Kai; Wei, Chiyu; Wojtas, Lukasz; Shi, Xiaodong; Song, Zhiguang","Triazole-imidazole (TA-IM) derivatives as ultrafast fluorescent probes for selective Ag<sup>+</sup> detection.","Organic & biomolecular chemistry","2018","16","42","7801","7805","10.1039/c8ob02482k","","","1.54178","CuKα","","0.0469","0.0352","","","0.0786","0.0844","","","","","","1.044","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156493","9.8081","0.0002","15.076","0.0003","26.6668","0.0005","90","","90","","90","","3943.14","0.13","100","2","99.99","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H16 F3 N5 -","- C23 H16 F3 N5 -","- C184 H128 F24 N40 -","8","1","","Lai, Qi; Liu, Qing; He, Ying; Zhao, Kai; Wei, Chiyu; Wojtas, Lukasz; Shi, Xiaodong; Song, Zhiguang","Triazole-imidazole (TA-IM) derivatives as ultrafast fluorescent probes for selective Ag<sup>+</sup> detection.","Organic & biomolecular chemistry","2018","16","42","7801","7805","10.1039/c8ob02482k","","","1.54178","CuKα","","0.0899","0.0641","","","0.1573","0.173","","","","","","1.057","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156494","8.1","0.0002","24.9541","0.0007","9.6074","0.0003","90","","97.478","0.002","90","","1925.41","0.09","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N5 O -","- C23 H19 N5 O -","- C92 H76 N20 O4 -","4","1","","Lai, Qi; Liu, Qing; He, Ying; Zhao, Kai; Wei, Chiyu; Wojtas, Lukasz; Shi, Xiaodong; Song, Zhiguang","Triazole-imidazole (TA-IM) derivatives as ultrafast fluorescent probes for selective Ag<sup>+</sup> detection.","Organic & biomolecular chemistry","2018","16","42","7801","7805","10.1039/c8ob02482k","","","1.54178","CuKα","","0.103","0.0695","","","0.1672","0.1872","","","","","","1.069","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156495","10.0604","0.0002","14.9961","0.0003","25.8051","0.0006","90","","90","","90","","3893.13","0.14","100","2","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H16 Cl2 N6 -","- C21 H16 Cl2 N6 -","- C168 H128 Cl16 N48 -","8","1","","Lai, Qi; Liu, Qing; He, Ying; Zhao, Kai; Wei, Chiyu; Wojtas, Lukasz; Shi, Xiaodong; Song, Zhiguang","Triazole-imidazole (TA-IM) derivatives as ultrafast fluorescent probes for selective Ag<sup>+</sup> detection.","Organic & biomolecular chemistry","2018","16","42","7801","7805","10.1039/c8ob02482k","","","1.54178","CuKα","","0.0362","0.0307","","","0.0757","0.079","","","","","","1.026","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156496","8.3507","0.0002","22.0757","0.0006","10.0712","0.0003","90","","113.691","0.0006","90","","1700.14","0.08","100","2","100","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C21 H15 N5 -","- C21 H15 N5 -","- C84 H60 N20 -","4","1","","Lai, Qi; Liu, Qing; He, Ying; Zhao, Kai; Wei, Chiyu; Wojtas, Lukasz; Shi, Xiaodong; Song, Zhiguang","Triazole-imidazole (TA-IM) derivatives as ultrafast fluorescent probes for selective Ag<sup>+</sup> detection.","Organic & biomolecular chemistry","2018","16","42","7801","7805","10.1039/c8ob02482k","","","1.54178","CuKα","","0.0246","0.0242","","","0.061","0.0612","","","","","","1.055","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156497","5.2634","0.0005","12.909","0.002","14.964","0.002","73.896","0.014","89.385","0.01","80.113","0.011","961.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 N O4 S -","- C21 H21 N O4 S -","- C42 H42 N2 O8 S2 -","2","1","","Dahiya, Anjali; Ali, Wajid; Alam, Tipu; Patel, Bhisma K.","A cascade synthesis of S-allyl benzoylcarbamothioates via Mumm-type rearrangement.","Organic & biomolecular chemistry","2018","16","42","7787","7791","10.1039/c8ob02293c","","","0.71073","MoKα","","0.1253","0.0786","","","0.143","0.196","","","","","","1.134","","","","has coordinates","230678","2020-10-21","18:00:00",""
"7156498","20.6903","0.0003","5.75339","0.00009","23.2601","0.0003","90","","110.085","0.002","90","","2600.48","0.07","293","2","293","2","","","","","","","","4","I 1 2 1","I 2y","5","","Boc-(S)-(αMe)Aze-(S)-Ala-(S)-(αMe)Aze-(S)-Ala-OMe","","- C22 H36 N4 O7 -","- C22 H36 N4 O7 -","- C88 H144 N16 O28 -","4","1","","Drouillat, Bruno; Peggion, Cristina; Biondi, Barbara; Wright, Karen; Couty, François; Crisma, Marco; Formaggio, Fernando; Toniolo, Claudio","A novel peptide conformation: the γ-bend ribbon.","Organic & biomolecular chemistry","2018","16","42","7947","7958","10.1039/c8ob02279h","","","1.54178","CuKα","","0.0401","0.0387","","","0.1166","0.1187","","","","","","1.057","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156499","14.8911","0.0018","14.8911","0.0018","14.4517","0.0016","90","","90","","90","","3204.6","0.7","150","2","150","2","","","","","","","","5","I 4","I 4","79","","","","- C81 H45 Br4 N5 Zn -","- C81 H45 Br4 N5 Zn -","- C162 H90 Br8 N10 Zn2 -","2","0.25","","Pijeat, Joffrey; Dappe, Yannick J.; Thuéry, Pierre; Campidelli, Stéphane","Synthesis and Suzuki-Miyaura cross coupling reactions for post-synthetic modification of a tetrabromo-anthracenyl porphyrin.","Organic & biomolecular chemistry","2018","16","43","8106","8114","10.1039/c8ob02150c","","","0.71073","MoKα","","0.0851","0.0643","","","0.1541","0.1619","","","","","","1.085","","","","has coordinates","230663","2020-10-21","18:00:00",""
"7156500","6.6889","0.0007","20.404","0.002","6.7943","0.0007","90","","102.245","0.009","90","","906.19","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H15 N3 S -","- C7 H15 N3 S -","- C28 H60 N12 S4 -","4","2","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","A convenient stereoselective access to novel 1,2,4-triazepan-3-ones/thiones via reduction or reductive alkylation of 7-membered cyclic semicarbazones and thiosemicarbazones.","Organic & biomolecular chemistry","2018","16","43","8072","8089","10.1039/c8ob01766b","","","0.71073","MoKα","","0.0899","0.0707","","","0.1534","0.1693","","","","","","1.097","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156501","22.7327","0.001","9.7061","0.0004","10.6589","0.0004","90","","105.34","0.003","90","","2268.05","0.16","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H19 N3 S -","- C10 H19 N3 S -","- C80 H152 N24 S8 -","8","1","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","A convenient stereoselective access to novel 1,2,4-triazepan-3-ones/thiones via reduction or reductive alkylation of 7-membered cyclic semicarbazones and thiosemicarbazones.","Organic & biomolecular chemistry","2018","16","43","8072","8089","10.1039/c8ob01766b","","","0.71073","MoKα","","0.0577","0.0366","","","0.0839","0.0935","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156502","8.6412","0.0018","10.61","0.002","12.608","0.003","90","","106.492","0.009","90","","1108.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H19 N3 S -","- C11 H19 N3 S -","- C44 H76 N12 S4 -","4","1","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","A convenient stereoselective access to novel 1,2,4-triazepan-3-ones/thiones via reduction or reductive alkylation of 7-membered cyclic semicarbazones and thiosemicarbazones.","Organic & biomolecular chemistry","2018","16","43","8072","8089","10.1039/c8ob01766b","","","0.71073","MoKα","","0.1555","0.091","","","0.2269","0.259","","","","","","1.085","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156503","5.6776","0.0005","8.9813","0.0009","20.467","0.002","90","","91.743","0.005","90","","1043.18","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H17 N3 S -","- C9 H17 N3 S -","- C36 H68 N12 S4 -","4","1","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","A convenient stereoselective access to novel 1,2,4-triazepan-3-ones/thiones via reduction or reductive alkylation of 7-membered cyclic semicarbazones and thiosemicarbazones.","Organic & biomolecular chemistry","2018","16","43","8072","8089","10.1039/c8ob01766b","","","0.71073","MoKα","","0.0773","0.0481","","","0.0949","0.1054","","","","","","1.043","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156504","7.2701","0.0008","12.9061","0.0011","18.374","0.002","90","","90","","90","","1724","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H15 N3 O -","- C7 H15 N3 O -","- C56 H120 N24 O8 -","8","1","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","A convenient stereoselective access to novel 1,2,4-triazepan-3-ones/thiones via reduction or reductive alkylation of 7-membered cyclic semicarbazones and thiosemicarbazones.","Organic & biomolecular chemistry","2018","16","43","8072","8089","10.1039/c8ob01766b","","","0.71073","MoKα","","0.0826","0.056","","","0.1296","0.1489","","","","","","1.11","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156505","17.298","0.002","5.9353","0.0008","33.483","0.004","90","","90","","90","","3437.7","0.7","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H15 F3 N2 O3 -","- C18 H15 F3 N2 O3 -","- C144 H120 F24 N16 O24 -","8","1","","Sun, Shaofa; Chen, Rongxing; Wang, Gangqiang; Wang, Jian","Sodium carbonate promoted [3 + 2] annulation of α-halohydroxamates and isocyanates.","Organic & biomolecular chemistry","2018","16","43","8011","8014","10.1039/c8ob02321b","","","0.71073","MoKα","","0.0691","0.0529","","","0.1351","0.1451","","","","","","1.038","","","","has coordinates,has disorder","301861","2025-08-22","11:12:39",""
"7156506","8.0308","0.0012","7.8229","0.001","12.8172","0.0018","90","","90","","90","","805.23","0.19","174","2","174","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C6 H6 N8 O2 -","- C6 H6 N8 O2 -","- C24 H24 N32 O8 -","4","0.5","","Sun, Qi; Li, Xin; Lin, Qiuhan; Lu, Ming","Tetracyclic pyrazine-fused furazans as insensitive energetic materials: syntheses, structures, and properties.","Organic & biomolecular chemistry","2018","16","43","8034","8037","10.1039/c8ob02155d","","","0.71073","MoKα","","0.0915","0.0485","","","0.0948","0.1114","","","","","","1.043","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156507","5.7793","0.0006","11.6585","0.0015","5.7805","0.0006","90","","100.28","0.004","90","","383.23","0.07","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H2 N8 O2 -","- C6 H2 N8 O2 -","- C12 H4 N16 O4 -","2","0.5","","Sun, Qi; Li, Xin; Lin, Qiuhan; Lu, Ming","Tetracyclic pyrazine-fused furazans as insensitive energetic materials: syntheses, structures, and properties.","Organic & biomolecular chemistry","2018","16","43","8034","8037","10.1039/c8ob02155d","","","0.71073","MoKα","","0.0838","0.0448","","","0.0844","0.0988","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156508","19.2788","0.0012","5.4732","0.0004","19.4681","0.0013","90","","111.922","0.002","90","","1905.7","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H3.33 N4 O3.67 -","- C4 H3.33333 N4 O3.66667 -","- C48 H40 N48 O44 -","12","3","","Sun, Qi; Li, Xin; Lin, Qiuhan; Lu, Ming","Tetracyclic pyrazine-fused furazans as insensitive energetic materials: syntheses, structures, and properties.","Organic & biomolecular chemistry","2018","16","43","8034","8037","10.1039/c8ob02155d","","","0.71073","MoKα","","0.0869","0.0468","","","0.0862","0.0985","","","","","","1.054","","","","has coordinates,has disorder","230664","2020-10-21","18:00:00",""
"7156509","14.2864","0.0013","5.3688","0.0005","19.4632","0.0016","90","","108.952","0.003","90","","1411.9","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C72 H64 N8 O4 -","4","1","","Liu, Kun; Shang, Xinye; Cheng, Yuyu; Chang, Xiaoyong; Li, Pengfei; Li, Wenjun","Regioselective [3 + 2]-annulation of hydrazonyl chlorides with 1,3-dicarbonyl compounds for assembling of polysubstituted pyrazoles.","Organic & biomolecular chemistry","2018","16","42","7811","7814","10.1039/c8ob02352b","","x-ray","0.71073","MoKα","","0.0526","0.0422","","","0.1004","0.1067","","","","","","1.043","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156510","10.0847","0.0003","12.3157","0.0004","23.0056","0.0007","90","","90","","90","","2857.3","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 F6 N4 O4 S -","- C28 H30 F6 N4 O4 S -","- C112 H120 F24 N16 O16 S4 -","4","1","","Claveau, Romain; Twamley, Brendan; Connon, Stephen J.","Synthesis of α-alkylated γ-butyrolactones with concomitant anhydride kinetic resolution using a sulfamide-based catalyst.","Organic & biomolecular chemistry","2018","16","41","7574","7578","10.1039/c8ob02248h","","x-ray","0.71073","MoKα","","0.0517","0.0458","","","0.1113","0.1144","","","","","","1.103","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156511","9.3038","0.0003","9.3038","0.0003","33.9408","0.0013","90","","90","","120","","2544.33","0.15","100","2","100","2","","","","","","","","4","P 61","P 61","169","","","","- C19 H17 N O6 -","- C19 H17 N O6 -","- C114 H102 N6 O36 -","6","1","","Claveau, Romain; Twamley, Brendan; Connon, Stephen J.","Synthesis of α-alkylated γ-butyrolactones with concomitant anhydride kinetic resolution using a sulfamide-based catalyst.","Organic & biomolecular chemistry","2018","16","41","7574","7578","10.1039/c8ob02248h","","x-ray","1.54178","CuKα","","0.0256","0.0256","","","0.0661","0.0661","","","","","","1.06","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156512","9.8247","0.0005","11.526","0.0006","11.6543","0.0005","86.407","0.004","74.525","0.004","72.819","0.005","1214.94","0.11","266","10","266","10","","","","","","","","6","P -1","-P 1","2","","","","- C29 H20 Br N O4 S -","- C29 H20 Br N O4 S -","- C58 H40 Br2 N2 O8 S2 -","2","1","","Tang, Xue; Zhu, Hong-Ping; Zhou, Jin; Chen, Yang; Pan, Xiao-Li; Guo, Li; Li, Jun-Long; Peng, Cheng; Huang, Wei","Highly diastereoselective synthesis of cyclopropane-fused spiro-pseudoindoxyl derivatives through [2 + 1] annulation of 2-ylideneoxindoles and sulfonium bromides.","Organic & biomolecular chemistry","2018","16","43","8169","8174","10.1039/c8ob02034e","","x-ray","1.54184","CuKα","","0.0612","0.0578","","","0.1459","0.1505","","","","","","1.086","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156513","9.2784","0.0004","14.1722","0.0006","9.8379","0.0004","90","","114.077","0.001","90","","1181.09","0.09","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,2,2-trifluoro-1-[1-phenyl-3-(2-phenylethynyl)-3-(trifluoromethyl)-3H,4aH-[1,3]oxazino[3,2-<i>a</i>]quinolin-2-yl]-1-ethanone","","- C29 H17 F6 N O2 -","- C29 H17 F6 N O2 -","- C58 H34 F12 N2 O4 -","2","1","","Belyaeva, K. V.; Nikitina, L. P.; Afonin, A. V.; Vashchenko, A. V.; Muzalevskiy, V. M.; Nenajdenko, V. G.; Trofimov, B. A.","Catalyst-free 1 : 2 annulation of quinolines with trifluoroacetylacetylenes: an access to functionalized oxazinoquinolines.","Organic & biomolecular chemistry","2018","16","43","8038","8041","10.1039/c8ob02379d","","","0.71073","MoKα","","0.051","0.0366","","","0.0701","0.0746","","","","","","1.023","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156514","11.6754","0.0005","11.052","0.0004","11.6067","0.0004","90","","108.497","0.001","90","","1420.32","0.09","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 N -","- C20 H13 N -","- C80 H52 N4 -","4","1","","Mylavarapu, Saketh; Yadav, Mamta; Bhanuchandra, M.","KHMDS mediated synthesis of 9-arylfluorenes from dibenzothiophene dioxides and arylacetonitriles by tandem S<sub>N</sub>Ar-decyanation-based arylation.","Organic & biomolecular chemistry","2018","16","42","7815","7819","10.1039/c8ob02355g","","","0.71073","MoKα","","0.0563","0.0477","","","0.1346","0.1437","","","","","","1.043","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156515","9.1358","0.0003","18.8753","0.0007","20.9542","0.0007","90","","90","","90","","3613.4","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H16 O3 S -","- C22 H16 O3 S -","- C176 H128 O24 S8 -","8","1","","Zhou, Bang; Chen, Wenqi; Yang, Yuzhong; Yang, Yuan; Deng, Guobo; Liang, Yun","A radical cyclization cascade of 2-alkynylbenzonitriles with sodium arylsulfinates.","Organic & biomolecular chemistry","2018","16","42","7959","7963","10.1039/c8ob02288g","","","0.71073","MoKα","","0.0702","0.061","","","0.1238","0.1284","","","","","","1.211","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156516","13.4246","0.0012","7.175","0.0007","17.1559","0.0014","90","","97.007","0.003","90","","1640.1","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O3 -","- C20 H18 O3 -","- C80 H72 O12 -","4","1","","Wang, Qiumei; Yang, Chao; Jiang, Chao","Visible-light-promoted radical acylation/cyclization of alkynoates with aldehydes for the synthesis of 3-acylcoumarins.","Organic & biomolecular chemistry","2018","16","43","8196","8204","10.1039/c8ob02232a","","","0.71073","MoKα","","0.1144","0.0594","","","0.1469","0.1762","","","","","","0.944","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156517","11.942","0.0008","12.7737","0.0009","12.9601","0.0008","91.778","0.003","102.372","0.003","102.443","0.003","1879.5","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H36 N8 -","- C50 H36 N8 -","- C100 H72 N16 -","2","1","","Deka, Bhaskar; Baruah, Pranjal K.; Deb, Mohit L.","Multi-component synthesis of 3-substituted indoles and their cyclisation to α-carbolines via I<sub>2</sub>-promoted intramolecular C2 oxidative amination/aromatisation at room temperature.","Organic & biomolecular chemistry","2018","16","42","7806","7810","10.1039/c8ob02362j","","","0.71073","MoKα","","0.0761","0.0523","","","0.1369","0.1617","","","","","","1.069","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156518","7.7966","0.0006","14.3031","0.0012","18.1018","0.0015","90","","90","","90","","2018.6","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 Br N4 -","- C25 H17 Br N4 -","- C100 H68 Br4 N16 -","4","1","","Deka, Bhaskar; Baruah, Pranjal K.; Deb, Mohit L.","Multi-component synthesis of 3-substituted indoles and their cyclisation to α-carbolines via I<sub>2</sub>-promoted intramolecular C2 oxidative amination/aromatisation at room temperature.","Organic & biomolecular chemistry","2018","16","42","7806","7810","10.1039/c8ob02362j","","","0.71073","MoKα","","0.0668","0.0433","","","0.1075","0.1284","","","","","","0.999","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156519","11.2746","0.0001","16.1738","0.0002","18.2342","0.0002","90","","90","","90","","3325.06","0.06","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Baefrutone A","bf-54","","- C35 H48 O7 -","- C35 H48 O7 -","- C140 H192 O28 -","4","1","","Hou, Ji-Qin; Wang, Bao-Lin; Han, Chao; Xu, Jian; Wang, Zhe; He, Qi-Wei; Zhang, Pei-Lin; Zhao, Shu-Min; Pei, Xin; Wang, Hao","Atropisomeric meroterpenoids with rare triketone-phloroglucinol-terpene hybrids from Baeckea frutescens.","Organic & biomolecular chemistry","2018","16","44","8513","8524","10.1039/c8ob02433b","","","1.54184","CuKα","","0.0398","0.0374","","","0.1075","0.1104","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156520","10.7346","0.0013","11.0951","0.0009","13.403","0.002","98.488","0.009","113.22","0.013","108.845","0.009","1317.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H33 Cl N3 O Rh -","- C27 H33 Cl N3 O Rh -","- C54 H66 Cl2 N6 O2 Rh2 -","2","1","","Wang, Huanhong; Yi, Xiaofei; Cui, Yanli; Chen, Wanzhi","Rhodium-catalyzed triazole-directed C-H bond functionalization of arenes with diazo compounds.","Organic & biomolecular chemistry","2018","16","43","8191","8195","10.1039/c8ob01673a","","","0.71073","MoKα","","0.0659","0.0445","","","0.0864","0.0995","","","","","","1.029","","","","has coordinates","230659","2020-10-21","18:00:00",""
"7156521","13.7264","0.0008","8.0434","0.0004","22.4695","0.0013","90","","97.451","0.006","90","","2459.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 N3 O8 -","- C26 H27 N3 O8 -","- C104 H108 N12 O32 -","4","1","","Wang, Huanhong; Yi, Xiaofei; Cui, Yanli; Chen, Wanzhi","Rhodium-catalyzed triazole-directed C-H bond functionalization of arenes with diazo compounds.","Organic & biomolecular chemistry","2018","16","43","8191","8195","10.1039/c8ob01673a","","","0.71073","MoKα","","0.0634","0.0471","","","0.1145","0.1281","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156522","9.6158","0.0011","14.3878","0.0019","15.7308","0.0015","63.487","0.011","72.881","0.009","74.459","0.011","1837.3","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H45 N3 O6 -","- C39 H45 N3 O6 -","- C78 H90 N6 O12 -","2","1","","Wang, Huanhong; Yi, Xiaofei; Cui, Yanli; Chen, Wanzhi","Rhodium-catalyzed triazole-directed C-H bond functionalization of arenes with diazo compounds.","Organic & biomolecular chemistry","2018","16","43","8191","8195","10.1039/c8ob01673a","","","0.71073","MoKα","","0.225","0.1104","","","0.2908","0.4014","","","","","","1.019","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156523","11.6524","0.0004","15.998","0.0006","18.6279","0.0008","90","","90","","90","","3472.5","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 F3 I N O -","- C16 H19 F3 I N O -","- C128 H152 F24 I8 N8 O8 -","8","2","","Shi, Yingkun; Xiao, Hongqing; Xu, Xiu-Hua; Huang, Yangen","Transition metal free decarboxylative fluoroalkylation of N-acrylamides with 3,3,3-trifluoro-2,2-dimethylpropanoic acid (TFDMPA).","Organic & biomolecular chemistry","2018","16","44","8472","8476","10.1039/c8ob02457j","","","0.71073","MoKα","","0.0392","0.0312","","","0.0673","0.0718","","","","","","1.019","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156530","8.5002","0.0007","9.3931","0.0008","13.1098","0.0011","83.094","0.002","80.207","0.002","80.262","0.002","1012.1","0.15","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 Cl N2 O3 -","- C24 H17 Cl N2 O3 -","- C48 H34 Cl2 N4 O6 -","2","1","","Mahesha, Chikkagundagal K.; Agarwal, Devesh S.; Karishma, Pidiyara; Markad, Datta; Mandal, Sanjay K.; Sakhuja, Rajeev","Iridium-catalyzed [4 + 2] annulation of 1-arylindazolones with α-diazo carbonyl compounds: access to indazolone-fused cinnolines.","Organic & biomolecular chemistry","2018","16","44","8585","8595","10.1039/c8ob01681j","","","0.71073","MoKα","","0.0509","0.04","","","0.1147","0.1316","","","","","","1.085","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156531","10.4021","0.0013","11.1622","0.0014","18.137","0.002","73.826","0.002","89.528","0.002","62.611","0.001","1778","0.4","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H28 O3 -","- C19 H28 O3 -","- C76 H112 O12 -","4","2","","Kawamoto, Yuichiro; Ozone, Daiki; Kobayashi, Toyoharu; Ito, Hisanaka","Total synthesis of (±)-chondrosterin I using a desymmetric aldol reaction.","Organic & biomolecular chemistry","2018","16","44","8477","8480","10.1039/c8ob02557f","","","0.71073","MoKα","","0.0571","0.045","","","0.1046","0.1169","","","","","","1.068","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156532","13.042","","5.681","","14.602","","90","","98.86","","90","","1068.98","","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C13 H9 N3 O -","- C13 H9 N3 O -","- C52 H36 N12 O4 -","4","1","","Chen, Zhengwang; Liang, Pei; Liu, Botao; Luo, Haiqing; Zheng, Jing; Wen, Xiaowei; Liu, Tanggao; Ye, Min","A facile tandem decyanation/cyanation reaction of α-iminonitriles toward cyano-substituted amides.","Organic & biomolecular chemistry","2018","16","44","8481","8485","10.1039/c8ob02186d","","","0.71073","MoKα","","0.1469","0.1114","","","0.2549","0.2965","","","","","","1.102","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156533","20.052","0.004","6.3001","0.0012","48.442","0.009","90","","96.918","0.009","90","","6075","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H35 N O Si -","- C36 H35 N O Si -","- C288 H280 N8 O8 Si8 -","8","1","","Xu, Murong; Zheng, Zhong; Wang, Mengdan; Kong, Lingkai; Ao, Yujuan; Li, Yanzhong","Cobalt-catalyzed regioselective syntheses of indeno[2,1-c]pyridines from nitriles and diynes bearing propargyl fragments.","Organic & biomolecular chemistry","2018","16","45","8761","8768","10.1039/c8ob02419g","","","0.71073","MoKα","","0.141","0.089","","","0.1895","0.2157","","","","","","1.117","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156534","9.8834","0.0003","10.2262","0.0003","13.9008","0.0004","90","","90","","90","","1404.95","0.07","150","2","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C64 H92 N4 O8 -","4","1","","Li, Tao; Wu, Guangmiao; Feng, Shangbiao; Wang, Zemin; Xie, Xingang; She, Xuegong","A rapid construction of the ABC tricyclic skeleton of malabanone A.","Organic & biomolecular chemistry","2018","16","44","8491","8494","10.1039/c8ob02495b","","","1.54178","CuKα","","0.0394","0.038","","","0.1003","0.1017","","","","","","1.066","","","","has coordinates,has disorder","301861","2025-08-22","11:12:39",""
"7156535","7.3868","0.0004","17.0662","0.0009","23.1039","0.0011","90","","90","","90","","2912.6","0.3","253","8","253","8","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C128 H184 N8 O16 -","8","2","","Li, Tao; Wu, Guangmiao; Feng, Shangbiao; Wang, Zemin; Xie, Xingang; She, Xuegong","A rapid construction of the ABC tricyclic skeleton of malabanone A.","Organic & biomolecular chemistry","2018","16","44","8491","8494","10.1039/c8ob02495b","","","0.71073","MoKα","","0.1129","0.0657","","","0.1187","0.1497","","","","","","1.057","","","","has coordinates,has disorder","301861","2025-08-22","11:12:39",""
"7156536","7.3514","0.0003","7.7395","0.0003","16.0309","0.0006","90","","94.117","0.004","90","","909.74","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H27 N O4 -","- C21 H27 N O4 -","- C42 H54 N2 O8 -","2","1","","Li, Tao; Wu, Guangmiao; Feng, Shangbiao; Wang, Zemin; Xie, Xingang; She, Xuegong","A rapid construction of the ABC tricyclic skeleton of malabanone A.","Organic & biomolecular chemistry","2018","16","44","8491","8494","10.1039/c8ob02495b","","","1.54184","CuKα","","0.0332","0.0327","","","0.0855","0.086","","","","","","1.072","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156537","12.2631","0.0004","13.767","0.0004","19.0767","0.0006","71.606","0.002","87.408","0.003","63.944","0.001","2728.97","0.15","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H45 Cl6 N5 O2 P2 Pd -","- C53 H45 Cl6 N5 O2 P2 Pd -","- C106 H90 Cl12 N10 O4 P4 Pd2 -","2","1","","Chandrasekhar, Attoor; Ramkumar, Venkatachalam; Sankararaman, Sethuraman","Palladium catalyzed carbonylative annulation of the C(sp<sup>2</sup>)-H bond of N,1-diaryl-1H-tetrazol-5-amines and N,4-diaryl-4H-triazol-3-amines to quinazolinones.","Organic & biomolecular chemistry","2018","16","44","8629","8638","10.1039/c8ob02516a","","","0.71073","MoKα","","0.1193","0.0548","","","0.1275","0.1648","","","","","","1.013","","","","has coordinates,has disorder","230608","2020-10-21","18:00:00",""
"7156538","8.7446","0.0004","11.529","0.0007","15.2091","0.0008","90","","105.14","0.003","90","","1480.11","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N5 O -","- C17 H15 N5 O -","- C68 H60 N20 O4 -","4","1","","Chandrasekhar, Attoor; Ramkumar, Venkatachalam; Sankararaman, Sethuraman","Palladium catalyzed carbonylative annulation of the C(sp<sup>2</sup>)-H bond of N,1-diaryl-1H-tetrazol-5-amines and N,4-diaryl-4H-triazol-3-amines to quinazolinones.","Organic & biomolecular chemistry","2018","16","44","8629","8638","10.1039/c8ob02516a","","","0.71073","MoKα","","0.0901","0.0478","","","0.1156","0.1397","","","","","","1.055","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156539","14.0025","0.0017","13.5967","0.0018","15.1462","0.0014","90","","116.114","0.005","90","","2589.3","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 N10 Pd -","- C26 H20 N10 Pd -","- C104 H80 N40 Pd4 -","4","1","","Chandrasekhar, Attoor; Ramkumar, Venkatachalam; Sankararaman, Sethuraman","Palladium catalyzed carbonylative annulation of the C(sp<sup>2</sup>)-H bond of N,1-diaryl-1H-tetrazol-5-amines and N,4-diaryl-4H-triazol-3-amines to quinazolinones.","Organic & biomolecular chemistry","2018","16","44","8629","8638","10.1039/c8ob02516a","","","0.71073","MoKα","","0.1008","0.048","","","0.0889","0.1127","","","","","","1","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156540","6.7614","0.0003","8.5686","0.0004","11.9894","0.0004","77.8244","0.0014","77.638","0.002","85.281","0.002","662.75","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 F N5 O -","- C15 H10 F N5 O -","- C30 H20 F2 N10 O2 -","2","1","","Chandrasekhar, Attoor; Ramkumar, Venkatachalam; Sankararaman, Sethuraman","Palladium catalyzed carbonylative annulation of the C(sp<sup>2</sup>)-H bond of N,1-diaryl-1H-tetrazol-5-amines and N,4-diaryl-4H-triazol-3-amines to quinazolinones.","Organic & biomolecular chemistry","2018","16","44","8629","8638","10.1039/c8ob02516a","","","0.71073","MoKα","","0.0557","0.0373","","","0.0873","0.1018","","","","","","1.049","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156542","7.8748","0.0004","14.7543","0.0006","15.7507","0.0006","68.6045","0.0014","85.8107","0.0017","77.4717","0.0017","1663.3","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","2","","Li, Pinhua; Wang, Guan-Wu; Chen, Hao; Wang, Lei","Nickel-catalyzed regioselective arylation of aromatic amides with aryl iodides enabled by an N,O-bidentate directing group.","Organic & biomolecular chemistry","2018","16","45","8783","8790","10.1039/c8ob02237b","","","0.71073","MoKα","","0.1203","0.0899","","","0.2091","0.2241","","","","","","1.162","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156543","8.8265","0.0002","21.615","0.0004","30.7813","0.0005","90","","90","","90","","5872.6","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O5 -","- C21 H32 O5 -","- C252 H384 O60 -","12","3","","Li, Fengli; Sun, Weiguang; Guan, Jiankun; Lu, Yuanyuan; Lin, Shuang; Zhang, Sitian; Gao, Weixi; Liu, Junjun; Du, Guang; Wang, Jianping; Zhu, Hucheng; Qi, Changxing; Hu, Zhengxi; Zhang, Yonghui","Anti-inflammatory fusicoccane-type diterpenoids from the phytopathogenic fungus Alternaria brassicicola.","Organic & biomolecular chemistry","2018","16","45","8751","8760","10.1039/c8ob02353k","","","1.54178","CuKα","","0.032","0.0319","","","0.082","0.0821","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156544","6.3056","0.0002","17.1631","0.0006","17.9081","0.0007","90","","92.519","0.001","90","","1936.21","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H32 O5 -","- C21 H32 O5 -","- C84 H128 O20 -","4","2","","Li, Fengli; Sun, Weiguang; Guan, Jiankun; Lu, Yuanyuan; Lin, Shuang; Zhang, Sitian; Gao, Weixi; Liu, Junjun; Du, Guang; Wang, Jianping; Zhu, Hucheng; Qi, Changxing; Hu, Zhengxi; Zhang, Yonghui","Anti-inflammatory fusicoccane-type diterpenoids from the phytopathogenic fungus Alternaria brassicicola.","Organic & biomolecular chemistry","2018","16","45","8751","8760","10.1039/c8ob02353k","","","1.54178","CuKα","","0.0716","0.0705","","","0.1996","0.2013","","","","","","1.089","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156545","6.856","","15.7693","0.0001","9.6944","0.0001","90","","101.609","0.001","90","","1026.66","0.013","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H36 O4 -","- C22 H36 O4 -","- C44 H72 O8 -","2","1","","Li, Fengli; Sun, Weiguang; Guan, Jiankun; Lu, Yuanyuan; Lin, Shuang; Zhang, Sitian; Gao, Weixi; Liu, Junjun; Du, Guang; Wang, Jianping; Zhu, Hucheng; Qi, Changxing; Hu, Zhengxi; Zhang, Yonghui","Anti-inflammatory fusicoccane-type diterpenoids from the phytopathogenic fungus Alternaria brassicicola.","Organic & biomolecular chemistry","2018","16","45","8751","8760","10.1039/c8ob02353k","","x-ray","1.54178","CuKα","","0.0279","0.0278","","","0.0735","0.0736","","","","","","1.105","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156546","9.0892","0.0001","9.9719","0.0001","17.8361","0.0001","90","","90","","90","","1616.6","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O2 -","- C19 H28 O2 -","- C76 H112 O8 -","4","1","","Li, Fengli; Sun, Weiguang; Guan, Jiankun; Lu, Yuanyuan; Lin, Shuang; Zhang, Sitian; Gao, Weixi; Liu, Junjun; Du, Guang; Wang, Jianping; Zhu, Hucheng; Qi, Changxing; Hu, Zhengxi; Zhang, Yonghui","Anti-inflammatory fusicoccane-type diterpenoids from the phytopathogenic fungus Alternaria brassicicola.","Organic & biomolecular chemistry","2018","16","45","8751","8760","10.1039/c8ob02353k","","x-ray","1.54178","CuKα","","0.0336","0.0331","","","0.0839","0.0842","","","","","","1.085","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156547","13.2298","0.0003","10.1625","0.0003","15.5329","0.0005","90","","98.015","0.002","90","","2067.96","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 Br N2 -","- C25 H23 Br N2 -","- C100 H92 Br4 N8 -","4","1","","Panwar, Rahul; Shally, ?; Shaw, Ranjay; Elagamy, Amr; Pratap, Ramendra","Chemoselective synthesis of m-teraryls through ring transformation of 2H-pyran-2-ones by 2-(1-arylethylidene)-malononitriles.","Organic & biomolecular chemistry","2018","16","46","8994","9002","10.1039/c8ob02370k","","","0.71073","MoKα","","0.0545","0.0421","","","0.1059","0.1131","","","","","","0.918","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156548","8.434","0.007","10.662","0.01","44.27","0.04","90","","90","","90","","3981","6","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","3-(2-Fluorophenyl)-3-((6-methoxybenzo[d]thiazol-2-yl)amino)-1-phenyl propan-1-one","","- C46 H37 F2 N4 O4 S2 -","- C46 H37 F2 N4 O4 S2 -","- C184 H148 F8 N16 O16 S8 -","4","1","","Li, Weihua; Wang, Yifeng; Xu, Danqian","Asymmetric synthesis of β-amino ketones by using cinchona alkaloid-based chiral phase transfer catalysts.","Organic & biomolecular chemistry","2018","16","45","8704","8709","10.1039/c8ob02484g","","","0.71073","MoKα","","0.0618","0.0531","","","0.126","0.1309","","","","","","1.026","","","","has coordinates,has disorder","230856","2020-10-21","18:00:00",""
"7156549","25.4646","0.0015","16.7733","0.0009","10.4497","0.0008","90","","100.998","0.006","90","","4381.4","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C53 H41 Cl3 N4 -","- C53 H41 Cl3 N4 -","- C212 H164 Cl12 N16 -","4","0.5","","Gao, Qinghe; Wang, Yakun; Wang, Qianqian; Zhu, Yanping; Liu, Zhaomin; Zhang, Jixia","I<sub>2</sub>-Triggered N-O cleavage of ketoxime acetates for the synthesis of 3-(4-pyridyl)indoles.","Organic & biomolecular chemistry","2018","16","46","9030","9037","10.1039/c8ob02230e","","","1.54178","CuKα","","0.09","0.0801","","","0.2265","0.2487","","","","","","1.071","","","","has coordinates,has disorder","301861","2025-08-22","11:12:39",""
"7156550","10.932","0.003","15.037","0.004","28.078","0.007","90","","90","","90","","4616","2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H25 N O6 -","- C25 H25 N O6 -","- C200 H200 N8 O48 -","8","1","","Wang, Qiang; Zhang, Tao; Fan, Yunchang; Fan, Xuesen","Synthesis of functionalized cyclopentenes through allenic ketone-based multicomponent reactions.","Organic & biomolecular chemistry","2018","16","45","8854","8858","10.1039/c8ob02259c","","","0.71073","MoKα","","0.0906","0.0556","","","0.155","0.1794","","","","","","1.068","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156551","6.8817","0.001","9.377","0.0011","13.0597","0.0015","84.642","0.004","75.196","0.004","78.648","0.004","798","0.18","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C38 H36 N4 O6 -","2","1","","Xiao, Yan; Xiong, Hao; Sun, Song; Yu, Jintao; Cheng, Jiang","Rh(iii)-Catalyzed dual C-H functionalization of 3-(1H-indol-3-yl)-3-oxopropanenitriles with sulfoxonium ylides or diazo compounds toward polysubstituted carbazoles.","Organic & biomolecular chemistry","2018","16","45","8715","8718","10.1039/c8ob02145g","","","0.71073","MoKα","","0.1087","0.092","","","0.2248","0.2452","","","","","","1.061","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156553","10.4442","0.0004","14.3318","0.0004","16.2731","0.0005","90","","96.095","0.001","90","","2422.06","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H21 N2 O S -","- C30 H24 N2 O S -","- C120 H96 N8 O4 S4 -","4","1","","Sharma, Nitika; Peddinti, Rama Krishna","Experimental and theoretical investigations of regioselective functionalization of 3-hydroxy bisindoles with thiols.","Organic & biomolecular chemistry","2018","16","47","9259","9268","10.1039/c8ob02118j","","","0.71073","MoKα","","0.0669","0.0413","","","0.1347","0.163","","","","","","1.15","","","","has coordinates","230765","2020-10-21","18:00:00",""
"7156554","9.5099","0.0003","9.7883","0.0003","23.6429","0.0007","90","","90","","90","","2200.82","0.12","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 Cl F N2 O3 S -","- C23 H20 Cl F N2 O3 S -","- C92 H80 Cl4 F4 N8 O12 S4 -","4","1","","Zheng, Bu-Quan; Chen, Ling-Yan; Zhao, Jian-Bo; Ji, Jian; Qiu, Zi-Bin; Ren, Xinfeng; Li, Ya","Organocatalytic asymmetric syntheses of 3-fluorooxindoles containing vicinal fluoroamine motifs.","Organic & biomolecular chemistry","2018","16","46","8989","8993","10.1039/c8ob01786g","","","0.71073","MoKα","","0.0482","0.0387","","","0.0834","0.0903","","","","","","1.064","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156555","12.761","0.002","5.429","0.001","27.325","0.001","90","","117.22","0.03","90","","1683.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C80 H80 N8 O8 -","4","1","","Jiang, Yan; Yu, Shuo-Wen; Yang, Yi; Liu, Ying-Le; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Facile synthesis of fused polycyclic compounds via intramolecular oxidative cyclization/aromatization of β-tetralone or β-tetralone oximes.","Organic & biomolecular chemistry","2018","16","46","9003","9010","10.1039/c8ob02031k","","","0.71073","MoKα","","0.1317","0.0543","","","0.117","0.1327","","","","","","1.079","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156556","7.979","0.003","19.9763","0.0013","13.149","0.004","90","","90","","90","","2095.8","1","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H20 N2 O2 S -","- C26 H20 N2 O2 S -","- C104 H80 N8 O8 S4 -","4","1","","Jiang, Yan; Yu, Shuo-Wen; Yang, Yi; Liu, Ying-Le; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Facile synthesis of fused polycyclic compounds via intramolecular oxidative cyclization/aromatization of β-tetralone or β-tetralone oximes.","Organic & biomolecular chemistry","2018","16","46","9003","9010","10.1039/c8ob02031k","","","0.71073","MoKα","","0.122","0.0533","","","0.0967","0.1158","","","","","","0.967","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156557","11.4298","0.0006","14.3863","0.0008","15.3115","0.0008","90","","90","","90","","2517.7","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H38 O9 -","- C27 H38 O9 -","- C108 H152 O36 -","4","1","","Qi, Changxing; Qiao, Yuben; Gao, Weixi; Liu, Mengting; Zhou, Qun; Chen, Chunmei; Lai, Yongji; Xue, Yongbo; Zhang, Jinwen; Li, Dongyan; Wang, Jianping; Zhu, Hucheng; Hu, Zhengxi; Zhou, Yuan; Zhang, Yonghui","New 3,5-dimethylorsellinic acid-based meroterpenoids with BACE1 and AchE inhibitory activities from Aspergillus terreus.","Organic & biomolecular chemistry","2018","16","46","9046","9052","10.1039/c8ob02741b","","","1.54178","CuKα","","0.0377","0.0376","","","0.1013","0.1014","","","","","","1.113","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156558","7.3751","0.0003","15.7593","0.0007","10.1577","0.0004","90","","90.466","0.001","90","","1180.55","0.08","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H34 O9 -","- C26 H34 O9 -","- C52 H68 O18 -","2","1","","Qi, Changxing; Qiao, Yuben; Gao, Weixi; Liu, Mengting; Zhou, Qun; Chen, Chunmei; Lai, Yongji; Xue, Yongbo; Zhang, Jinwen; Li, Dongyan; Wang, Jianping; Zhu, Hucheng; Hu, Zhengxi; Zhou, Yuan; Zhang, Yonghui","New 3,5-dimethylorsellinic acid-based meroterpenoids with BACE1 and AchE inhibitory activities from Aspergillus terreus.","Organic & biomolecular chemistry","2018","16","46","9046","9052","10.1039/c8ob02741b","","","1.54178","CuKα","","0.034","0.0339","","","0.0825","0.0825","","","","","","3.155","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156559","7.8489","0.0001","7.8505","0.0001","11.6784","0.0002","74.58","","73.43","","87.86","","664.309","0.017","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C29 H38 O10 -","- C29 H38 O10 -","- C29 H38 O10 -","1","1","","Qi, Changxing; Qiao, Yuben; Gao, Weixi; Liu, Mengting; Zhou, Qun; Chen, Chunmei; Lai, Yongji; Xue, Yongbo; Zhang, Jinwen; Li, Dongyan; Wang, Jianping; Zhu, Hucheng; Hu, Zhengxi; Zhou, Yuan; Zhang, Yonghui","New 3,5-dimethylorsellinic acid-based meroterpenoids with BACE1 and AchE inhibitory activities from Aspergillus terreus.","Organic & biomolecular chemistry","2018","16","46","9046","9052","10.1039/c8ob02741b","","","1.54178","CuKα","","0.0308","0.0307","","","0.0788","0.0788","","","","","","1.058","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156560","7.0433","0.0012","7.9515","0.0014","13.619","0.002","83.665","0.014","80.712","0.014","66.771","0.016","690.8","0.2","294.98","0.1","294.98","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C30 H36 O6 -","2","1","","Wu, Pei-Qian; Yu, Yi-Fan; Zhao, Ye; Yu, Chun-Xue; Zhi, De-Juan; Qi, Feng-Ming; Fei, Dong-Qing; Zhang, Zhan-Xin","Four novel sesquiterpenoids with their anti-Alzheimer's disease activity from Nardostachys chinensis.","Organic & biomolecular chemistry","2018","16","46","9038","9045","10.1039/c8ob02319k","","","0.71073","MoKα","","0.1289","0.0671","","","0.1455","0.1918","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156561","8.2734","0.0002","12.6013","0.0004","10.9726","0.0004","90","","104.864","0.003","90","","1105.68","0.06","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","1","","Wu, Pei-Qian; Yu, Yi-Fan; Zhao, Ye; Yu, Chun-Xue; Zhi, De-Juan; Qi, Feng-Ming; Fei, Dong-Qing; Zhang, Zhan-Xin","Four novel sesquiterpenoids with their anti-Alzheimer's disease activity from Nardostachys chinensis.","Organic & biomolecular chemistry","2018","16","46","9038","9045","10.1039/c8ob02319k","","","1.54184","CuKα","","0.0461","0.0394","","","0.1117","0.1191","","","","","","1.066","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156562","10.44121","0.00016","11.19736","0.00018","11.7174","0.00018","90","","90","","90","","1369.93","0.04","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","1","","Wu, Pei-Qian; Yu, Yi-Fan; Zhao, Ye; Yu, Chun-Xue; Zhi, De-Juan; Qi, Feng-Ming; Fei, Dong-Qing; Zhang, Zhan-Xin","Four novel sesquiterpenoids with their anti-Alzheimer's disease activity from Nardostachys chinensis.","Organic & biomolecular chemistry","2018","16","46","9038","9045","10.1039/c8ob02319k","","x-ray","1.54184","CuKα","","0.0359","0.0352","","","0.0925","0.0935","","","","","","1.095","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156563","5.32172","0.00003","11.65514","0.00005","28.13606","0.00011","90","","90","","90","","1745.15","0.014","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl N O3 -","- C20 H20 Cl N O3 -","- C80 H80 Cl4 N4 O12 -","4","1","","Huang, Yi; Li, Pan; Dong, Xiu-Qin; Zhang, Xumu","Synthesis of chiral seven-membered β-substituted lactams via Rh-catalyzed asymmetric hydrogenation.","Organic & biomolecular chemistry","2018","16","45","8819","8823","10.1039/c8ob02231c","","x-ray","1.54184","CuKα","","0.0238","0.0238","","","0.0616","0.0616","","","","","","1.089","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156564","12.9237","0.0004","15.5472","0.0004","39.6257","0.0012","90","","90","","90","","7961.9","0.4","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C41 H58 O7 -","- C41 H58 O7 -","- C328 H464 O56 -","8","2","","Wang, Wen-Li; Zhu, Dong-Rong; Luo, Jie; Liu, Fei-Yan; Chen, Chen; Zhu, Tian-Yu; Li, Ling-Nan; Han, Chao; Luo, Jian-Guang; Kong, Ling-Yi","Taiwanoids A-D, four dimeric diterpenoids featuring tetracyclic [7. 7<sup>5, 9</sup>. 4. 0<sup>5, 10</sup>. 0<sup>8, 9</sup>] octodecane from Taiwania cryptomerioidesim.","Organic & biomolecular chemistry","2018","16","46","9059","9063","10.1039/c8ob02566e","","","1.54178","CuKα","","0.0536","0.0439","","","0.1118","0.1185","","","","","","1.02","","","","has coordinates,has disorder","230745","2020-10-21","18:00:00",""
"7156565","10.80656","0.00008","17.94783","0.0001","7.75427","0.00006","90","","110.586","0.0008","90","","1407.94","0.019","150.04","0.1","150.04","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 O4 -","- C18 H14 O4 -","- C72 H56 O16 -","4","1","","Mistry, Anish; Knighton, Richard C.; Forshaw, Sam; Dualeh, Zakaria; Parker, Jeremy S.; Wills, Martin","Synthesis and cycloaddition reactions of strained alkynes derived from 2,2'-dihydroxy-1,1'-biaryls.","Organic & biomolecular chemistry","2018","16","46","8965","8975","10.1039/c8ob01768a","","x-ray","1.54184","CuKα","","0.0459","0.0451","","","0.1204","0.1217","","","","","","1.048","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156566","11.4282","0.0002","25.2193","0.0004","7.59768","0.00013","90","","104.563","0.0017","90","","2119.39","0.06","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 B F2 N2 O3 -","- C26 H19 B F2 N2 O3 -","- C104 H76 B4 F8 N8 O12 -","4","1","","Mistry, Anish; Knighton, Richard C.; Forshaw, Sam; Dualeh, Zakaria; Parker, Jeremy S.; Wills, Martin","Synthesis and cycloaddition reactions of strained alkynes derived from 2,2'-dihydroxy-1,1'-biaryls.","Organic & biomolecular chemistry","2018","16","46","8965","8975","10.1039/c8ob01768a","","x-ray","1.54184","CuKα","","0.0449","0.0424","","","0.1123","0.1148","","","","","","1.063","","","","has coordinates,has disorder","301861","2025-08-22","11:12:39",""
"7156567","18.835","0.0008","7.1072","0.0003","21.7952","0.0009","90","","105.284","0.004","90","","2814.4","0.2","150.03","0.1","150.03","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C18 H14 O3 -","- C18 H14 O3 -","- C144 H112 O24 -","8","1","","Mistry, Anish; Knighton, Richard C.; Forshaw, Sam; Dualeh, Zakaria; Parker, Jeremy S.; Wills, Martin","Synthesis and cycloaddition reactions of strained alkynes derived from 2,2'-dihydroxy-1,1'-biaryls.","Organic & biomolecular chemistry","2018","16","46","8965","8975","10.1039/c8ob01768a","","x-ray","1.54184","CuKα","","0.0559","0.0508","","","0.1342","0.1432","","","","","","1.0443","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156568","16.251","0.0017","20.991","0.002","16.6756","0.0017","90","","96.331","0.002","90","","5653.8","1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Macrocycle M4b (tetramethoxy)","","- C46 H48 N4 O14 -","- C46 H48 N4 O14 -","- C184 H192 N16 O56 -","4","1","","Dempsey, Janel M.; Zhang, Qi-Wei; Oliver, Allen G.; Smith, Bradley D.","New tetralactam hosts for squaraine dyes.","Organic & biomolecular chemistry","2018","16","46","8976","8983","10.1039/c8ob02596g","","","0.71073","MoKα","","0.0812","0.0471","","","0.1061","0.1189","","","","","","1.037","","","","has coordinates","230750","2020-10-21","18:00:00",""
"7156569","8.4217","0.0006","17.9017","0.0012","18.0406","0.0012","90","","90","","90","","2719.9","0.3","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C2.3 H2.15 N0.15 O0.44 -","- C2.2963 H2.14815 N0.148148 O0.444444 -","- C124 H116 N8 O24 -","54","13.5","","Liu, Yuxin; Wang, Jingdong; Wei, Zhonglin; Cao, Jungang; Liang, Dapeng; Lin, Yingjie; Duan, Haifeng","Direct enantio- and diastereoselective Mannich reactions of isatin-derived ketimines with oxo-indanecarboxylates catalyzed by chiral thiourea derived from hydroquinidine.","Organic & biomolecular chemistry","2018","16","46","8927","8932","10.1039/c8ob02595a","","","0.71073","MoKα","","0.1","0.0611","","","0.1507","0.1736","","","","","","1.015","","","","has coordinates","230751","2020-10-21","18:00:00",""
"7156570","9.207","0.005","14.125","0.005","18.327","0.005","96.941","0.005","90.055","0.005","90.101","0.005","2365.9","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20.5 H0 F20.5 N20.5 O20.5 -","- C48 H50 F14 N4 O6 -","- C96 H100 F28 N8 O12 -","2","1","","Fu, Qiang; Wang, Rui; Liang, Fushun; Guan, Wei","Aza-tricycles containing a perfluoroalkyl group: synthesis, structure and fluorescence.","Organic & biomolecular chemistry","2018","16","46","8950","8954","10.1039/c8ob02749h","","","0.71069","MoKα","","0.1036","0.0744","","","0.1932","0.222","","","","","","1.065","","","","has coordinates","230744","2020-10-21","18:00:00",""
"7156571","12.992","0.0004","9.8081","0.0003","18.9141","0.0006","90","","97.2446","0.0014","90","","2390.92","0.13","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C H F N O -","- C2.2 H1.9 F0.7 N0.2 O0.5 -","- C88 H76 F28 N8 O20 -","40","10","","Fu, Qiang; Wang, Rui; Liang, Fushun; Guan, Wei","Aza-tricycles containing a perfluoroalkyl group: synthesis, structure and fluorescence.","Organic & biomolecular chemistry","2018","16","46","8950","8954","10.1039/c8ob02749h","","","1.54178","CuKα","","0.1494","0.1397","","","0.4216","0.43","","","","","","3.804","","","","has coordinates","230744","2020-10-21","18:00:00",""
"7156572","10.7013","0.001","10.572","0.0009","19.8575","0.0018","90","","103.499","0.003","90","","2184.5","0.3","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C3.83 H3.3 F1.04 I0.17 N0.35 O0.35 -","- C3.82609 H3.30435 F1.04348 I0.173913 N0.347826 O0.347826 -","- C88 H76 F24 I4 N8 O8 -","23","5.75","","Fu, Qiang; Wang, Rui; Liang, Fushun; Guan, Wei","Aza-tricycles containing a perfluoroalkyl group: synthesis, structure and fluorescence.","Organic & biomolecular chemistry","2018","16","46","8950","8954","10.1039/c8ob02749h","","","0.71073","MoKα","","0.1559","0.1291","","","0.3365","0.3637","","","","","","1.079","","","","has coordinates","230744","2020-10-21","18:00:00",""
"7156574","9.4496","0.0008","14.01","0.0008","13.9414","0.0011","90","","106.26","0.008","90","","1771.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","1","","Gao, Feng-Teng; Fang, Zheng; Su, Rui-Rui; Rui, Pei-Xin; Hu, Xiang-Guo","Hydroximoyl fluorides as the precursors of nitrile oxides: synthesis, stability and [3 + 2]-cycloaddition with alkynes.","Organic & biomolecular chemistry","2018","16","47","9211","9217","10.1039/c8ob02721h","","","0.71073","MoKα","","0.0548","0.0477","","","0.0981","0.1013","","","","","","1.172","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156575","14.778","0.003","5.9149","0.0009","29.159","0.005","90","","90","","90","","2548.8","0.8","180","0.1","180","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H11 F O3 -","- C17 H11 F O3 -","- C136 H88 F8 O24 -","8","1","","Guo, Jia; Peng, Xiaoshi; Wang, Xiaoyu; Xie, Fukai; Zhang, Xinhang; Liang, Guoduan; Sun, Zenghui; Liu, Yongxiang; Cheng, Maosheng; Liu, Yang","A gold-catalyzed cycloisomerization/aerobic oxidation cascade strategy for 2-aryl indenones from 1,5-enynes.","Organic & biomolecular chemistry","2018","16","47","9147","9151","10.1039/c8ob02582g","","","0.71073","MoKα","","0.2018","0.0801","","","0.1415","0.2043","","","","","","1.087","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156576","11.1459","0.0003","12.2398","0.0004","12.471","0.0004","67.383","0.001","76.829","0.001","77.617","0.001","1513.89","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 Br N3 O5 S2 -","- C26 H22 Br N3 O5 S2 -","- C52 H44 Br2 N6 O10 S4 -","2","1","","Gui, Hou-Ze; Wei, Yin; Shi, Min","Construction of spirothioureas having an amino quaternary stereogenic center via a [3 + 2] annulation of 3-isothiocyanato oxindoles with 2-aminoacrylates.","Organic & biomolecular chemistry","2018","16","47","9218","9222","10.1039/c8ob02748j","","","0.71073","MoKα","","0.0633","0.0521","","","0.1544","0.1643","","","","","","1.044","","","","has coordinates,has disorder","230764","2020-10-21","18:00:00",""
"7156577","10.6362","0.0013","13.222","0.0016","11.2568","0.0014","90","","105.849","0.002","90","","1522.9","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H28 Br N3 O6 S2 -","- C29 H28 Br N3 O6 S2 -","- C58 H56 Br2 N6 O12 S4 -","2","1","","Gui, Hou-Ze; Wei, Yin; Shi, Min","Construction of spirothioureas having an amino quaternary stereogenic center via a [3 + 2] annulation of 3-isothiocyanato oxindoles with 2-aminoacrylates.","Organic & biomolecular chemistry","2018","16","47","9218","9222","10.1039/c8ob02748j","","","0.71073","MoKα","","0.0735","0.053","","","0.1374","0.1494","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156578","7.7178","0.0007","9.2215","0.0009","9.9594","0.001","84.587","0.002","86.687","0.003","78.032","0.003","689.78","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H11 Br O3 S -","- C15 H11 Br O3 S -","- C30 H22 Br2 O6 S2 -","2","1","","Zhen, Qianqian; Huang, Dayun; Shao, Yinlin; Cheng, Tianxing; Chen, Jiuxi","Direct halosulfenylation of benzo[b]furans: a metal-free synthesis of 3-halo-2-thiobenzo[b]furans.","Organic & biomolecular chemistry","2018","16","47","9204","9210","10.1039/c8ob02680g","","","0.71073","MoKα","","0.0496","0.0394","","","0.1266","0.1643","","","","","","1.034","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156579","8.49","0.003","14.116","0.006","27.185","0.011","98.118","0.01","91.155","0.01","106.64","0.01","3084","2","296","2","196","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H68 B4 F12 K4 O8 -","- C56 H68 B4 F12 K4 O8 -","- C112 H136 B8 F24 K8 O16 -","2","1","","Zuo, Ya-Jie; Zhong, Zhuoran; Fan, Yinkun; Li, Xiangyu; Chen, Xiaolu; Chang, Yuwei; Song, Ruihu; Fu, Xinpeng; Zhang, Anling; Zhong, Chong-Min","Copper-catalyzed diastereoselective synthesis of β-boryl-α-quaternary carbon carboxylic esters.","Organic & biomolecular chemistry","2018","16","47","9237","9242","10.1039/c8ob02469c","","","0.71073","MoKα","","0.1196","0.0578","","","0.1343","0.1632","","","","","","1.03","","","","has coordinates","230759","2020-10-21","18:00:00",""
"7156581","10.4828","0.0005","13.6099","0.0006","13.9679","0.0005","76.703","0.004","79.086","0.004","80.64","0.004","1889.45","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C H Cl N -","- C3.09677 H2.45161 Cl0.129032 N0.258065 -","- C96 H76 Cl4 N8 -","31","15.5","","Ling, Fei; Xiao, Lian; Fang, Lu; Feng, Cong; Xie, Zhen; Lv, Yaping; Zhong, Weihui","B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>-catalyzed Markovnikov addition of indoles to aryl alkynes: an approach toward bis(indolyl)alkanes.","Organic & biomolecular chemistry","2018","16","47","9274","9278","10.1039/c8ob02805b","","","0.71073","MoKα","","0.0868","0.0495","","","0.1115","0.1329","","","","","","1.028","","","","has coordinates","230762","2020-10-21","18:00:00",""
"7156582","9.7629","0.0004","11.7118","0.0006","13.505","0.0007","90.002","0.004","91.798","0.004","112.093","0.004","1429.97","0.13","293","","293","","","","","","","","","6","P -1","-P 1","2","","Unknown","","- C33 H27 F N2 O4 S -","- C33 H27 F N2 O4 S -","- C66 H54 F2 N4 O8 S2 -","2","1","","Mukhopadhyay, Soumendranath; Pan, Subhas Chandra","Organocatalytic asymmetric synthesis of highly substituted pyrrolidines bearing a stereogenic quaternary centre at the 3-position.","Organic & biomolecular chemistry","2018","16","48","9349","9353","10.1039/c8ob02648c","","x-ray","0.71073","MoKα","","0.0793","0.0594","","","0.1533","0.1689","","","","","","1.0679","","","","has coordinates","230772","2020-10-21","18:00:00",""
"7156583","6.4066","0.0005","18.5404","0.0016","16.577","0.0016","90","","91.794","0.007","90","","1968.1","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N6 O S -","- C21 H22 N6 O S -","- C84 H88 N24 O4 S4 -","4","1","","Eltyshev, Alexander K.; Suntsova, Polina O.; Karmatskaia, Ksenia D.; Taniya, Olga S.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.","An effective and facile synthesis of new blue fluorophores on the basis of an 8-azapurine core.","Organic & biomolecular chemistry","2018","16","48","9420","9429","10.1039/c8ob02644k","","","0.7107","MoKα","","0.1936","0.0696","","","0.0681","0.0948","","","","","","1.001","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156584","21.5416","0.0013","5.972","0.0004","15.4401","0.0015","90","","90","","90","","1986.3","0.3","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H22 N6 O2 -","- C22 H22 N6 O2 -","- C88 H88 N24 O8 -","4","1","","Eltyshev, Alexander K.; Suntsova, Polina O.; Karmatskaia, Ksenia D.; Taniya, Olga S.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.","An effective and facile synthesis of new blue fluorophores on the basis of an 8-azapurine core.","Organic & biomolecular chemistry","2018","16","48","9420","9429","10.1039/c8ob02644k","","","0.7107","MoKα","","0.11","0.0482","","","0.078","0.0984","","","","","","1.001","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156585","10.1745","0.0011","11.3873","0.0013","12.287","0.0014","85.634","0.002","82.125","0.002","86.327","0.002","1404","0.3","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H33 Br O5 -","- C31 H33 Br O5 -","- C62 H66 Br2 O10 -","2","1","","Zhou, Jia-Yu; Ma, Chun; Zhang, Yi-Zhu; Wu, Qiong; Shi, Feng","Catalyst-free [4 + 2] cyclization of para-quinone methide derivatives with homophthalic anhydrides.","Organic & biomolecular chemistry","2018","16","48","9382","9389","10.1039/c8ob02776e","","","0.71073","MoKα","","0.0892","0.0447","","","0.1012","0.1172","","","","","","1.01","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156586","8.6715","0.0011","18.093","0.002","22.594","0.003","90","","100.433","0.004","90","","3486.2","0.7","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl (2R,3R,4R)-4-(2-(4-methoxyphenyl)-2-oxoethyl)-4'-oxo-3'-phenyl-2'-thioxo-1-tosyl-1,4-dihydro-2H-spiro[quinoline-3,5'-thiazolidine]-2-carboxylate","","- C36 H32 N2 O7 S3 -","- C36 H32 N2 O7 S3 -","- C144 H128 N8 O28 S12 -","4","2","","Song, Yong-Xing; Du, Da-Ming","Asymmetric synthesis of highly functionalized spirothiazolidinone tetrahydroquinolines via a squaramide-catalyzed cascade reaction.","Organic & biomolecular chemistry","2018","16","48","9390","9401","10.1039/c8ob02731e","","","0.71073","MoKα","","0.0571","0.038","","","0.0789","0.0869","","","","","","1.02","","","","has coordinates,has disorder","301861","2025-08-22","11:12:39",""
"7156591","9.0274","0.0004","12.8372","0.0005","15.1428","0.0006","80.836","0.003","75.449","0.004","70.099","0.004","1591.87","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H27 F6 N2 O5 S -","- C34 H27 F6 N2 O5 S -","- C68 H54 F12 N4 O10 S2 -","2","1","","Yan, Weitao; Wang, Ruo; Zhang, Tesen; Deng, Hongtao; Chen, Jian; Wu, Wei; Weng, Zhiqiang","Synthesis of 4-trifluoromethyl 2-pyrones and pyridones through the Brønsted base-catalyzed Pechmann-type reaction with cyclic 1,3-diones.","Organic & biomolecular chemistry","2018","16","48","9440","9445","10.1039/c8ob02701c","","","0.71073","MoKα","","0.0909","0.0569","","","0.1538","0.1684","","","","","","1.041","","","","has coordinates,has disorder","230770","2020-10-21","18:00:00",""
"7156592","9.877","0.006","11.908","0.007","16.045","0.01","90","","90","","90","","1887","2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H7 F3 O3 -","- C10 H7 F3 O3 -","- C80 H56 F24 O24 -","8","2","","Yan, Weitao; Wang, Ruo; Zhang, Tesen; Deng, Hongtao; Chen, Jian; Wu, Wei; Weng, Zhiqiang","Synthesis of 4-trifluoromethyl 2-pyrones and pyridones through the Brønsted base-catalyzed Pechmann-type reaction with cyclic 1,3-diones.","Organic & biomolecular chemistry","2018","16","48","9440","9445","10.1039/c8ob02701c","","","0.71073","MoKα","","0.1328","0.0673","","","0.1303","0.1582","","","","","","1.001","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156593","11.1159","0.0003","11.1159","0.0003","18.9404","0.0012","90","","90","","90","","2340.34","0.17","223","2","223","2","","","","","","","","5","P 41","P 4w","76","","(R)-1-(4-bromobutan-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione","","- C9 H13 Br N2 O2 -","- C9 H13 Br N2 O2 -","- C72 H104 Br8 N16 O16 -","8","2","","Lee, Su-Jeong; Ahn, Jun-Gi; Seo, Jihwan; Ha, Heun-Jong; Cho, Chang-Woo","Organocatalytic enantioselective synthesis of acyclic pyrimidine nucleosides by aza-Michael reaction.","Organic & biomolecular chemistry","2018","16","48","9477","9486","10.1039/c8ob02754d","","","0.71073","MoKα","","0.1324","0.0814","","","0.2077","0.2452","","","","","","1.037","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156594","9.4914","0.0007","13.1578","0.0009","24.0997","0.0019","90","","90.676","0.002","90","","3009.5","0.4","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H30 N2 O3 -","- C37 H30 N2 O3 -","- C148 H120 N8 O12 -","4","1","","Zhang, Jiayong; Miao, Zhiwei","Bisphosphine catalyzed sequential [3 + 2] cycloaddition and Michael addition of ynones with benzylidenepyrazolones via dual α',α'-C(sp<sup>3</sup>)-H bifunctionalization to construct cyclopentanone-fused spiro-pyrazolones.","Organic & biomolecular chemistry","2018","16","48","9461","9471","10.1039/c8ob02675k","","","0.71073","MoKα","","0.0632","0.0418","","","0.1195","0.1302","","","","","","1.008","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7156595","14.5095","0.0001","15.4251","0.0001","22.0039","0.0001","90","","107.777","0.001","90","","4689.56","0.06","294.15","","294.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C31 H24 N2 O2 -","- C31 H24 N2 O2 -","- C248 H192 N16 O16 -","8","1","","Zhang, Jiayong; Miao, Zhiwei","Bisphosphine catalyzed sequential [3 + 2] cycloaddition and Michael addition of ynones with benzylidenepyrazolones via dual α',α'-C(sp<sup>3</sup>)-H bifunctionalization to construct cyclopentanone-fused spiro-pyrazolones.","Organic & biomolecular chemistry","2018","16","48","9461","9471","10.1039/c8ob02675k","","x-ray","1.54184","CuKα","","0.0375","0.0363","","","0.1001","0.101","","","","","","1.035","","","","has coordinates","301861","2025-08-22","11:12:39",""
"7157203","7.6469","0.0006","11.4426","0.0008","19.78","0.0013","90","","93.222","0.005","90","","1728","0.2","296","2","296","2","","","","","","","synthetic","3","P 1 21/c 1","-P 2ybc","14","KN-415","(3-Benzoylbenzofuran-2-yl)(p-tolyl)methanone","","- C23 H16 O3 -","- C23 H16 O3 -","- C92 H64 O12 -","4","1","","Neog, Kashmiri; Das, Babulal; Gogoi, Pranjal","2,3-Diaroyl benzofurans from arynes: sequential synthesis of 2-aroyl benzofurans followed by benzoylation.","Organic & biomolecular chemistry","2018","16","17","3138","3150","10.1039/c8ob00631h","","","0.71073","MoKα","","0.0624","0.0447","","","0.1371","0.1521","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157204","8.83","0.0002","14.378","0.0009","17.669","0.001","90","","90","","90","","2243.2","0.2","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Galai6 (Prathap)","","","- C24 H32 N4 O2 -","- C24 H32 N4 O2 -","- C96 H128 N16 O8 -","4","1","","Darapaneni, Chandra Mohan; Kaniraj, Prathap Jeya; Maayan, Galia","Water soluble hydrophobic peptoids via a minor backbone modification.","Organic & biomolecular chemistry","2018","16","9","1480","1488","10.1039/c7ob02928d","","","0.71073","MoKα","","0.0457","0.0385","","","0.0934","0.0961","","","","","","1.069","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157205","24.3697","0.0019","9.1064","0.0007","6.6779","0.0006","90","","99.992","0.004","90","","1459.5","0.2","205","","205","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H18 O6 -","- C18 H18 O6 -","- C72 H72 O24 -","4","1","","Wang, Fan; Yang, Hong; Yu, Shujuan; Xue, Yu; Fan, Zhoulong; Liang, Gaolin; Geng, Meiyu; Zhang, Ao; Ding, Chunyong","Total synthesis of (±)-tanshinol B, tanshinone I, and (±)-tanshindiol B and C.","Organic & biomolecular chemistry","2018","16","18","3376","3381","10.1039/c8ob00567b","","","1.54178","CuKα","","0.0317","0.0314","","","0.0818","0.0824","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157206","24.373","0.002","9.0977","0.0008","6.6706","0.0006","90","","99.828","0.004","90","","1457.4","0.2","205","","205","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H18 O6 -","- C18 H18 O6 -","- C72 H72 O24 -","4","1","","Wang, Fan; Yang, Hong; Yu, Shujuan; Xue, Yu; Fan, Zhoulong; Liang, Gaolin; Geng, Meiyu; Zhang, Ao; Ding, Chunyong","Total synthesis of (±)-tanshinol B, tanshinone I, and (±)-tanshindiol B and C.","Organic & biomolecular chemistry","2018","16","18","3376","3381","10.1039/c8ob00567b","","","1.54178","CuKα","","0.0355","0.0302","","","0.0716","0.0735","","","","","","0.973","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157207","24.2407","0.0008","9.1871","0.0003","6.5418","0.0003","90","","105.441","0.002","90","","1404.28","0.09","173","","173","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H16 O5 -","- C18 H16 O5 -","- C72 H64 O20 -","4","1","","Wang, Fan; Yang, Hong; Yu, Shujuan; Xue, Yu; Fan, Zhoulong; Liang, Gaolin; Geng, Meiyu; Zhang, Ao; Ding, Chunyong","Total synthesis of (±)-tanshinol B, tanshinone I, and (±)-tanshindiol B and C.","Organic & biomolecular chemistry","2018","16","18","3376","3381","10.1039/c8ob00567b","","","1.54178","CuKα","","0.0367","0.0331","","","0.0847","0.0865","","","","","","1.04","","","","has coordinates","301861","2025-08-22","11:13:07",""
"7157224","8.4375","0.0006","19.2059","0.0012","13.8112","0.001","90","","105.9","0.007","90","","2152.5","0.3","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2''-bromo-4-methyl-5'-(piperidin-1-yl)-[1,1':3',1''-terphenyl]-4'-carbonitrile","","- C2.5 H2.3 Br0.1 N0.2 -","- C2.5 H2.3 Br0.1 N0.2 -","- C100 H92 Br4 N8 -","40","10","","Althagafi, Ismail; Shaw, Ranjay; Tang, Cheng-Run; Panwar, Rahul; Shally, ?; Sinha, Chanda; Kumar, Amit; Zheng, Yong-Tang; Pratap, Ramendra","Chemoselective synthesis of isolated and fused fluorenones and their photophysical and antiviral properties.","Organic & biomolecular chemistry","2018","16","40","7477","7487","10.1039/c8ob01733f","","","0.71073","MoKα","","0.0848","0.0572","","","0.1502","0.1679","","","","","","1.039","","","","has coordinates","236878","2020-10-21","18:00:00",""
"7203103","13.3247","0.0011","16.22","0.0014","17.2825","0.0014","83.458","0.005","86.262","0.007","84.888","0.007","3690.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H58 Hf N2 O8 -","- C30 H58 Hf N2 O8 -","- C120 H232 Hf4 N8 O32 -","4","2","","Milanov, A.; Bhakta, R.; Thomas, R.; Ehrhart, P.; Winter, M.; Waser, R.; Devi, A.","Mixed amide–malonate compound of hafnium as a novel monomeric precursor for MOCVD of HfO2 thin films","Journal of Materials Chemistry","2006","16","5","437","","10.1039/b509380e","","","0.71073","MoKα","","0.0716","0.0525","","","0.1344","0.1506","","","","","","0.975","","","","has coordinates,has disorder","301863","2025-08-22","13:06:29",""
"7203104","36.062","0.002","9.1053","0.0003","4.6794","0.0003","90","","90","","90","","1536.51","0.14","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","octylsemicarbazid","ethyl2-[(octylamino)carbonyl]hydrazinecarboxylate","","- C12 H25 N3 O3 -","- C12 H25 N3 O3 -","- C48 H100 N12 O12 -","4","1","","Deindörfer, Pia; Geiger, Thomas; Schollmeyer, Dieter; Ye, Jian Hui; Zentel, Rudolf","Semicarbazides as gel forming agents for common solvents and liquid crystals","Journal of Materials Chemistry","2006","16","4","351","","10.1039/b510474b","","","1.54178","CuKα","","0.0628","0.0487","","","0.1284","0.1378","","","","","","1.026","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203105","19.5706","0.0003","20.7246","0.0005","14.1497","0.0003","90","","118.309","0.001","90","","5052.65","0.19","293","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 Cl3 Mn2 N15 O12 -","- C42 H42 Cl3 Mn2 N15 O12 -","- C168 H168 Cl12 Mn8 N60 O48 -","4","0.5","","Karmakar, Tapan K.; Aromí, Guillem; Ghosh, Barindra K.; Usman, A.; Fun, Hoong-Kun; Mallah, Talal; Behrens, U.; Solans, Xavier; Chandra, Swapan K.","Unexpected diversity and novel features within a family of new azide-bridged MnII complexes of pyridyl/imine ligands","Journal of Materials Chemistry","2006","16","3","278","","10.1039/b510701f","","","0.71073","MoKα","","0.1684","0.0877","","","0.2214","0.2506","","","","","","0.876","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203106","9.4938","0.0001","16.1284","0.0002","12.8164","0.0001","90","","94.5494","0.0002","90","","1956.26","0.04","293","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 F12 Mn2 N14 P2 -","- C30 H32 F12 Mn2 N14 P2 -","- C60 H64 F24 Mn4 N28 P4 -","2","0.5","","Karmakar, Tapan K.; Aromí, Guillem; Ghosh, Barindra K.; Usman, A.; Fun, Hoong-Kun; Mallah, Talal; Behrens, U.; Solans, Xavier; Chandra, Swapan K.","Unexpected diversity and novel features within a family of new azide-bridged MnII complexes of pyridyl/imine ligands","Journal of Materials Chemistry","2006","16","3","278","","10.1039/b510701f","","","0.71073","MoKα","","0.0685","0.0453","","","0.098","0.1036","","","","","","0.927","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203107","12.5606","0.0006","17.25","0.0008","18.1617","0.0009","90","","90","","90","","3935.1","0.3","153","2","153","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H18 Cl Mn N7 O4 -","- C16 H18 Cl Mn N7 O4 -","- C128 H144 Cl8 Mn8 N56 O32 -","8","1","","Karmakar, Tapan K.; Aromí, Guillem; Ghosh, Barindra K.; Usman, A.; Fun, Hoong-Kun; Mallah, Talal; Behrens, U.; Solans, Xavier; Chandra, Swapan K.","Unexpected diversity and novel features within a family of new azide-bridged MnII complexes of pyridyl/imine ligands","Journal of Materials Chemistry","2006","16","3","278","","10.1039/b510701f","","","0.71073","MoKα","","0.0849","0.0585","","","0.1502","0.1637","","","","","","1.025","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203110","16.029","0.003","23.026","0.004","7.003","0.004","90","0","103.96","0.03","90","0","2508.4","1.6","295","2","","","","","","","","","Local laboratory","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 F6 O4 P S6 -","- C20 H16 F6 O4 P S6 -","- C80 H64 F24 O16 P4 S24 -","4","0.5","","Yamochi, Hideki; Hagiwara, Jun; Soeda, Masaya; Saito, Gunzi","Synthesis and charge-transfer complexes of a new donor molecule, TP-EDOT","Journal of Materials Chemistry","2006","16","6","550","","10.1039/b511512d","","","0.71073","MoKα","","","0.052","","","0.06","","","","","2.872","2.872","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203111","19.599","0.005","10.953","0.003","10.555","0.003","90","","101.11","0.02","90","","2223.4","1.1","295","2","295","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","(TP-EDOT)3Sb2F11(benzene)","","","- C36 H30 F11 O6 S9 Sb2 -","- C36 H22 F11 O6 S9 Sb2 -","- C72 H44 F22 O12 S18 Sb4 -","2","0.5","","Yamochi, Hideki; Hagiwara, Jun; Soeda, Masaya; Saito, Gunzi","Synthesis and charge-transfer complexes of a new donor molecule, TP-EDOT","Journal of Materials Chemistry","2006","16","6","550","","10.1039/b511512d","","","0.71073","MoKα","","0.1034","0.0681","","","0.1622","0.1749","","","","","","1.114","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203118","26.823","0.006","7.876","0.002","13.259","0.003","90","","95.994","0.006","90","","2785.8","1.1","293","","293","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H8 Cl I4 O4 S4 Se4 -","- C16 H8 Cl I4 O4 S4 Se4 -","- C64 H32 Cl4 I16 O16 S16 Se16 -","4","0.5","","Imakubo, Tatsuro; Shirahata, Takashi; Hervé, Katel; Ouahab, Lahcène","Supramolecular organic conductors based on diiodo-TTFs and spherical halide ion X‒(X = Cl, Br)","Journal of Materials Chemistry","2006","16","2","162","","10.1039/b512036e","","","0.71073","MoKα","","0.0643","0.0501","","","0.1131","0.1194","","","","","","1.053","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203119","7.8146","0.0014","30.306","0.005","13.253","0.002","90","","90","","90","","3138.7","0.9","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H12 Br I4 O2 S12 -","- C16 H8 Br I4 O2 S12 -","- C64 H32 Br4 I16 O8 S48 -","4","0.5","","Imakubo, Tatsuro; Shirahata, Takashi; Hervé, Katel; Ouahab, Lahcène","Supramolecular organic conductors based on diiodo-TTFs and spherical halide ion X‒(X = Cl, Br)","Journal of Materials Chemistry","2006","16","2","162","","10.1039/b512036e","","","0.71073","MoKα","","0.0752","0.0612","","","0.1787","0.188","","","","","","1.041","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203120","7.876","0.003","14.217","0.005","30.851","0.011","90","","95.721","0.007","90","","3437","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H10 Cl3 I4 S4 Se8 -","- C17 H10 Cl3 I4 S4 Se8 -","- C68 H40 Cl12 I16 S16 Se32 -","4","0.5","","Imakubo, Tatsuro; Shirahata, Takashi; Hervé, Katel; Ouahab, Lahcène","Supramolecular organic conductors based on diiodo-TTFs and spherical halide ion X‒(X = Cl, Br)","Journal of Materials Chemistry","2006","16","2","162","","10.1039/b512036e","","","0.71073","MoKα","","0.1525","0.1135","","","0.2782","0.3006","","","","","","1.1","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203121","7.834","0.003","14.257","0.005","30.885","0.009","90","","95.789","0.007","90","","3432","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C17 H10 Br Cl2 I4 S4 Se8 -","- C17 H10 Br Cl2 I4 S4 Se8 -","- C68 H40 Br4 Cl8 I16 S16 Se32 -","4","0.5","","Imakubo, Tatsuro; Shirahata, Takashi; Hervé, Katel; Ouahab, Lahcène","Supramolecular organic conductors based on diiodo-TTFs and spherical halide ion X‒(X = Cl, Br)","Journal of Materials Chemistry","2006","16","2","162","","10.1039/b512036e","","","0.71073","MoKα","","0.1015","0.0544","","","0.1004","0.1126","","","","","","0.89","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203122","7.5692","0.0012","13.544","0.002","13.781","0.002","91.385","0.004","101.128","0.003","104.257","0.003","1339.7","0.4","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H8 Cl I4 O4 S8 -","- C16 H8 Cl I4 O4 S8 -","- C32 H16 Cl2 I8 O8 S16 -","2","1","","Imakubo, Tatsuro; Shirahata, Takashi; Hervé, Katel; Ouahab, Lahcène","Supramolecular organic conductors based on diiodo-TTFs and spherical halide ion X‒(X = Cl, Br)","Journal of Materials Chemistry","2006","16","2","162","","10.1039/b512036e","","","0.71073","MoKα","","0.0506","0.0467","","","0.1124","0.115","","","","","","1.166","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203123","7.6511","0.0016","13.7","0.003","14.006","0.003","90.804","0.005","101.885","0.004","104.209","0.004","1389.5","0.5","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H8 Br I4 O4 S8 -","- C16 H8 Br I4 O4 S8 -","- C32 H16 Br2 I8 O8 S16 -","2","1","","Imakubo, Tatsuro; Shirahata, Takashi; Hervé, Katel; Ouahab, Lahcène","Supramolecular organic conductors based on diiodo-TTFs and spherical halide ion X‒(X = Cl, Br)","Journal of Materials Chemistry","2006","16","2","162","","10.1039/b512036e","","","0.71073","MoKα","","0.0547","0.0449","","","0.111","0.1166","","","","","","1.065","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203124","7.6396","0.0019","13.416","0.003","14.049","0.003","91.468","0.006","100.217","0.005","105.839","0.006","1359.1","0.5","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H8 Cl I4 O4 S4 Se4 -","- C16 H8 Cl I4 O4 S4 Se4 -","- C32 H16 Cl2 I8 O8 S8 Se8 -","2","1","","Imakubo, Tatsuro; Shirahata, Takashi; Hervé, Katel; Ouahab, Lahcène","Supramolecular organic conductors based on diiodo-TTFs and spherical halide ion X‒(X = Cl, Br)","Journal of Materials Chemistry","2006","16","2","162","","10.1039/b512036e","","","0.71073","MoKα","","0.0908","0.0658","","","0.1573","0.1699","","","","","","0.967","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203125","7.709","0.002","13.546","0.004","14.219","0.004","90.866","0.007","100.943","0.006","105.857","0.006","1398.8","0.7","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H8 Br I4 O4 S4 Se4 -","- C16 H8 Br I4 O4 S4 Se4 -","- C32 H16 Br2 I8 O8 S8 Se8 -","2","1","","Imakubo, Tatsuro; Shirahata, Takashi; Hervé, Katel; Ouahab, Lahcène","Supramolecular organic conductors based on diiodo-TTFs and spherical halide ion X‒(X = Cl, Br)","Journal of Materials Chemistry","2006","16","2","162","","10.1039/b512036e","","","0.71073","MoKα","","0.1163","0.0736","","","0.1441","0.1638","","","","","","0.979","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203126","7.6827","0.0011","30.305","0.004","13.1946","0.0019","90","","90","","90","","3072","0.7","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H12 Cl I4 O2 S12 -","- C16 H8 Cl I4 O2 S12 -","- C64 H32 Cl4 I16 O8 S48 -","4","0.5","","Imakubo, Tatsuro; Shirahata, Takashi; Hervé, Katel; Ouahab, Lahcène","Supramolecular organic conductors based on diiodo-TTFs and spherical halide ion X‒(X = Cl, Br)","Journal of Materials Chemistry","2006","16","2","162","","10.1039/b512036e","","","0.71073","MoKα","","0.0485","0.0379","","","0.0914","0.0958","","","","","","1","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203134","23.4804","0.0013","11.7367","0.0007","7.365","0.0004","90","","90","","90","","2029.7","0.2","273","2","273","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2,4,6-Tris(benzyloxy)-1,3,5-triazine","","- C24 H21 N3 O3 -","- C24 H21 N3 O3 -","- C96 H84 N12 O12 -","4","1","","Srinivas, K.; Sitha, Sanyasi; Rao, V. Jayathirtha; Bhanuprakash, K.; Ravikumar, K.","NLO Activity in some non-conjugated 3D triazine derivatives: a non-centrosymmetric crystal through conformational flexibility","Journal of Materials Chemistry","2006","16","5","496","","10.1039/b512362c","","","0.71073","MoKα","","0.0529","0.0483","","","0.115","0.1177","","","","","","1.139","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203135","9.9509","0.0002","25.1959","0.0005","9.0316","0.0002","90","","90","","90","","2264.42","0.08","100","0.1","100","0.1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C52 H36 Cl4 N4 O S2 -","- C52 H36 Cl4 N4 O S2 -","- C104 H72 Cl8 N8 O2 S4 -","2","0.5","","Huang, Ping-Hsin; Shen, Jiun-Yi; Pu, Shin-Chien; Wen, Yuh-Sheng; Lin, Jiann T.; Chou, Pi-Tai; Yeh, Ming-Chang P.","Synthesis and characterization of new fluorescent two-photon absorption chromophores","Journal of Materials Chemistry","2006","16","9","850","","10.1039/b512524c","","","0.71073","MoKα","","0.0551","0.0464","","","0.1286","0.1349","","","","","","1.11","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203145","9.617","0.003","13.895","0.003","21.695","0.006","87.83","0.011","84.549","0.009","72.903","0.01","2758.3","1.3","153","2","173","2","","","","","","","","3","P -1","-P 1","2","","Dodecithiophene","","- C120 H170 S12 -","- C120 H170 S12 -","- C120 H170 S12 -","1","0.5","","Azumi, Reiko; Mena-Osteritz, Elena; Boese, Roland; Benet-Buchholz, Jordi; Bäuerle, Peter","The longest oligothiophene ever examined by X-ray structure analysis","Journal of Materials Chemistry","2006","16","8","728","","10.1039/b513427g","","","0.71073","MoKα","","0.1777","0.063","","","0.1135","0.1445","","","","","","0.796","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203158","6.686","0.001","8.672","0.001","16.095","0.003","99.91","0.01","101.54","0.01","94.59","0.01","894.3","0.2","295","2","295","2","","","","","","","synthesised by authors, see text","6","P -1","-P 1","2","","bis(bis(ethylenedithio)tetrathiafulvalene)(pentacyano-(nitroso)-iron)","","- C25 H16 Fe N6 O S16 -","- C25 H16 Fe N6 O S16 -","- C25 H16 Fe N6 O S16 -","1","0.5","","Simonov, S. V.; Zorina, L. V.; Khasanov, S. S.; Shibaeva, R. P.; Shevyakova, I. Yu.; Buravov, L. I.; Yagubskii, E. B.; Canadell, E.","Molecular conductors with the common and robust building block (BEDT-TTF)2NP (NP = [FeNO(CN)5]2‒) but different band filling","Journal of Materials Chemistry","2006","16","8","787","","10.1039/b514912f","","","0.71073","MoKα","","0.0913","0.0562","","","0.1195","0.1329","","","","","","1.009","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203159","19.481","0.003","8.6405","0.001","16.441","0.002","98.894","0.01","93.169","0.01","100.273","0.01","2680.5","0.6","295","2","295","2","","","","","","","synthesised by authors, see text","6","P -1","-P 1","2","","tris(bis(ethylenedithio)tetrathiafulvalene)(pentacyano-(nitroso)-iron) ethylene glycole solvate","","- C37 H30 Fe N6 O3 S24 -","- C37 H30 Fe N6 O3 S24 -","- C74 H60 Fe2 N12 O6 S48 -","2","1","","Simonov, S. V.; Zorina, L. V.; Khasanov, S. S.; Shibaeva, R. P.; Shevyakova, I. Yu.; Buravov, L. I.; Yagubskii, E. B.; Canadell, E.","Molecular conductors with the common and robust building block (BEDT-TTF)2NP (NP = [FeNO(CN)5]2‒) but different band filling","Journal of Materials Chemistry","2006","16","8","787","","10.1039/b514912f","","","0.71073","MoKα","","0.0871","0.0471","","","0.1168","0.1356","","","","","","0.961","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203160","10.001","0.0001","19.579","0.0002","25.715","0.0003","90","","93.051","0.001","90","","5028.11","0.09","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C91 H27 N O -","- C91 H27 N O -","- C364 H108 N4 O4 -","4","1","","Padmawar, Prashant A.; Canteenwala, Taizoon; Verma, Sarika; Tan, Loon-Seng; Chiang, Long Y.","Synthesis and characterization of photoresponsive diphenylaminofluorene chromophore adducts of [60]fullerene","Journal of Materials Chemistry","2006","16","14","1366","","10.1039/b515055h","","","0.71073","MoKα","","0.0786","0.0524","","0.151","0.1279","","","","1.126","1.155","1.155","","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203161","21.932","0.002","25.059","0.002","40.88","0.004","90","","90","","90","","22467","3","120","2","120","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","tetrakis(9,9-dihexyl-2-(pyridin-2-yl)fluorene-C^2^,N')-bis-(μ- chloro)diiridium, bis(dichloromethane) hydrate","","- C122 H150 Cl6 Ir2 N4 O -","- C122 H148 Cl6 Ir2 N4 O -","- C976 H1184 Cl48 Ir16 N32 O8 -","8","0.25","","Bettington, Sylvia; Tavasli, Mustafa; Bryce, Martin R.; Batsanov, Andrei S.; Thompson, Amber L.; Al Attar, Hameed A.; Dias, Fernando B.; Monkman, Andrew P.","Bridged diiridium complexes for electrophosphorescent OLEDs: synthesis, X-ray crystal structures, photophysics, and devices","Journal of Materials Chemistry","2006","16","11","1046","","10.1039/b515258e","","","0.71073","MoKα","","0.119","0.0807","","","0.2002","0.2335","","","","","","1.272","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203162","14.403","0.004","15.041","0.004","16.055","0.004","77.58","0.01","70.27","0.01","79.47","0.01","3174.2","1.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","bis(9,9,-dihexyl-2-pyridin-2-yl)fluorene-C^2^,N')- dimethylsulphoxide iridium(III) isocyanate, bis-dimethylsulphoxide solvate","","- C67 H90 Ir N3 O4 S3 -","- C67 H90 Ir N3 O4 S3 -","- C134 H180 Ir2 N6 O8 S6 -","2","1","","Bettington, Sylvia; Tavasli, Mustafa; Bryce, Martin R.; Batsanov, Andrei S.; Thompson, Amber L.; Al Attar, Hameed A.; Dias, Fernando B.; Monkman, Andrew P.","Bridged diiridium complexes for electrophosphorescent OLEDs: synthesis, X-ray crystal structures, photophysics, and devices","Journal of Materials Chemistry","2006","16","11","1046","","10.1039/b515258e","","","0.71073","MoKα","","0.027","0.0239","","","0.0609","0.0627","","","","","","1.049","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203182","6.9146","0.0014","7.0143","0.0019","10.59","0.002","100.178","0.019","97.31","0.017","117.655","0.016","434.7","0.19","295","2","295","2","","","","","","","","4","P -1","-P 1","2","HMI-Au(CN)2","","","- C6 H7 Au N4 -","- C6 H7 Au N4 -","- C12 H14 Au2 N8 -","2","1","","Yoshida, Yukihiro; Fujii, Junichi; Saito, Gunzi; Hiramatsu, Takaaki; Sato, Naoki","Dicyanoaurate(i) salts with 1-alkyl-3-methylimidazolium: luminescent properties and room-temperature liquid forming","Journal of Materials Chemistry","2006","16","8","724","","10.1039/b515869a","","","0.71073","MoK-alpha","","","0.0559","","0.1952","","","","","1.45","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203183","8.3701","0.0017","19.9","0.004","6.6722","0.0018","90","","107.837","0.019","90","","1057.9","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","EMI-Au(CN)2","","","- C8 H11 Au N4 -","- C8 H11 Au N4 -","- C32 H44 Au4 N16 -","4","1","","Yoshida, Yukihiro; Fujii, Junichi; Saito, Gunzi; Hiramatsu, Takaaki; Sato, Naoki","Dicyanoaurate(i) salts with 1-alkyl-3-methylimidazolium: luminescent properties and room-temperature liquid forming","Journal of Materials Chemistry","2006","16","8","724","","10.1039/b515869a","","","0.71073","MoK-alpha","","","0.043","","0.1312","","","","","1.207","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203213","6.339","0.001","9.867","0.001","15.3","0.002","90","","91.05","0.01","90","","956.8","0.2","298","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Co4 Na O12 P3 -","- Co4 Na O12 P3 -","- Co16 Na4 O48 P12 -","4","1","","R. Baies; O. Pérez; V. Caignaert; V. Pralong; B. Raveau","A new sodium cobaltophosphate with a tunnel structure, ionic conductor","Journal of Materials Chemistry","2006","16","25","2434","","10.1039/b516383h","","","0.71069","MoKα","","0.1669","0.0523","","","0.0471","0.0603","","","","1.58","1.58","1.23","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203244","17.087","","18.792","","14.191","","113.58","","109.77","","73.52","","3871.49","","","","","","","","","","","","","3","P -1","-P 1","2","","","","?","- C96 N16 O16 -","- C96 N16 O16 -","","","","Ramasamy P. Pandian; Young-Il Kim; Patrick M. Woodward; Jay L. Zweier; Periakaruppan T. Manoharan; Periannan Kuppusamy","The open molecular framework of paramagnetic lithium octabutoxy-naphthalocyanine: implications for the detection of oxygen and nitric oxide using EPR spectroscopy","Journal of Materials Chemistry","2006","16","36","3609","","10.1039/b517976a","","","","","","","","","","","","","","","","","","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203245","23.1926","0.0016","14.9481","0.0011","28.015","0.002","90","","103.536","0.001","90","","9442.6","1.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C88 H128 O28 Ti6 -","- C88 H128 O28 Ti6 -","- C352 H512 O112 Ti24 -","4","1","","Yu Gao; Franz René Kogler; Herwig Peterlik; Ulrich Schubert","Ring-opening metathesis polymerizations with norbornene carboxylate-substituted metal oxo clusters","Journal of Materials Chemistry","2006","16","32","3268","","10.1039/b518277h","","","0.71073","MoKα","","0.2136","0.0707","","","0.1642","0.1978","","","","","","0.722","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203246","15.1389","0.0006","27.919","0.0011","28.2235","0.0011","90","","93.822","0.001","90","","11902.5","0.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C120 H142 O38 Zr6 -","- C120 H138 O38 Zr6 -","- C480 H552 O152 Zr24 -","4","1","","Yu Gao; Franz René Kogler; Herwig Peterlik; Ulrich Schubert","Ring-opening metathesis polymerizations with norbornene carboxylate-substituted metal oxo clusters","Journal of Materials Chemistry","2006","16","32","3268","","10.1039/b518277h","","","0.71073","MoKα","","0.1472","0.0768","","","0.1948","0.2234","","","","","","0.965","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203247","15.621","0.004","15.641","0.004","30.8","0.008","99.36","0.006","95.793","0.005","113.343","0.005","6703","3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C124 H152 O39 Zr6 -","- C124 H147 O39 Zr6 -","- C248 H294 O78 Zr12 -","2","1","","Yu Gao; Franz René Kogler; Herwig Peterlik; Ulrich Schubert","Ring-opening metathesis polymerizations with norbornene carboxylate-substituted metal oxo clusters","Journal of Materials Chemistry","2006","16","32","3268","","10.1039/b518277h","","","0.71073","MoKα","","0.193","0.0975","","","0.2308","0.2728","","","","","","0.927","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203248","11.39","0.001","12.091","0.002","14.386","0.003","74.85","0.02","78.45","0.02","68.7","0.02","1769.5","0.6","173.1","","","","","","","","","","","5","P -1","-P 1","2","4-(1',3'-oxyl-4',4',5',5'-tetramethyl-imidazolin-2'-yl)- benzoic acid 3,5-bis-(1'',3''-oxyl-4'',4'',5'',5''-tetramethyl- imidazolin-2''-yl)-phenyl ester","4-(1',3'-oxyl-4',4',5',5'-tetramethyl-imidazolin-2'-yl)-benzoic acid 3,5-bis- (1'',3''-oxyl-4'',4'',5'',5''-tetramethyl-imidazolin-2''-yl)-phenyl ester","","- C34.5 H44 Cl N6 O8 -","- C34.5 H43 Cl N6 O8 -","- C69 H86 Cl2 N12 O16 -","2","1","","Kanzaki, Yuki; Shiomi, Daisuke; Kaneda, Chika; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji","Clustering of molecular spins in the crystals of nitronylnitroxide and iminonitroxide triradicals based on benzene-1,3,5-triyl frameworks","Journal of Materials Chemistry","2006","16","21","2064","","10.1039/b518416a","","","0.7107","MoKα","","","0.072","","","","0.219","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203249","11.28","0.007","11.995","0.007","14.345","0.009","74.99","0.02","78.72","0.03","69.63","0.02","1745.5","1.9","293.1","","","","","","","","","","","5","P -1","-P 1","2","4-(1'-oxyl-4',4',5',5'-tetramethyl-imidazolin-2'-yl)-benzoic acid 3,5-bis-(1''-oxyl-4'',4'',5'',5''-tetramethyl-imidazolin-2''-yl)- phenyl ester","4-(1'-oxyl-4',4',5',5'-tetramethyl-imidazolin-2'-yl)-benzoic acid 3,5-bis- (1''-oxyl-4'',4'',5'',5''-tetramethyl-imidazolin-2''-yl)-phenyl ester","","- C34.5 H43 Cl N6 O5 -","- C34.5 H43 Cl N6 O5 -","- C69 H86 Cl2 N12 O10 -","2","1","","Kanzaki, Yuki; Shiomi, Daisuke; Kaneda, Chika; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji","Clustering of molecular spins in the crystals of nitronylnitroxide and iminonitroxide triradicals based on benzene-1,3,5-triyl frameworks","Journal of Materials Chemistry","2006","16","21","2064","","10.1039/b518416a","","","0.7107","MoKα","","","0.099","","","","0.166","","","","","","0.973","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203251","27.0966","0.0012","9.2018","0.0004","13.7101","0.0005","90","","95.859","0.002","90","","3400.6","0.2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H61 Br N2 O -","- C31 H61 Br N2 O -","- C124 H244 Br4 N8 O4 -","4","1","","Chiou, Josh Y. Z.; Chen, J. N.; Lei, J. S.; Lin, Ivan J. B.","Ionic liquid crystals of imidazolium salts with a pendant hydroxyl group","Journal of Materials Chemistry","2006","16","29","2972","","10.1039/b600045b","","","0.71073","MoKα","","0.1252","0.0448","","","0.1079","0.129","","","","","","0.795","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203293","5.136","0.0006","7.5227","0.0008","25.623","0.003","90","","91.005","0.002","90","","989.83","0.19","295","1","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H14 N2 O4 -","- C26 H14 N2 O4 -","- C52 H28 N4 O8 -","2","0.5","","Ofir, Yuval; Zelichenok, Alexander; Yitzchaik, Shlomo","1,4;5,8-naphthalene-tetracarboxylic diimide derivatives as model compounds for molecular layer epitaxy","Journal of Materials Chemistry","2006","16","22","2142","","10.1039/b601258b","","","0.71073","MoKα","","0.1313","0.0644","","","0.1037","0.125","","","","","","1.013","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203294","8.2649","0.0015","14.504","0.003","4.8883","0.0009","98.05","0.003","93.611","0.003","96.27","0.003","574.91","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 N2 O4 -","- C26 H20 N2 O4 -","- C26 H20 N2 O4 -","1","0.5","","Ofir, Yuval; Zelichenok, Alexander; Yitzchaik, Shlomo","1,4;5,8-naphthalene-tetracarboxylic diimide derivatives as model compounds for molecular layer epitaxy","Journal of Materials Chemistry","2006","16","22","2142","","10.1039/b601258b","","","0.71073","MoKα","","0.1781","0.1401","","","0.3225","0.3502","","","","","","1.187","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203299","9.0105","0.0013","11.5303","0.001","19.219","0.002","98.337","0.004","99.0796","0.0011","103.549","0.0008","1882.1","0.4","294","","294","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 Fe0.5 N O5 S17 -","- C27 H25 Fe0.5 N O5 S17 -","- C54 H50 Fe N2 O10 S34 -","2","1","","Keigo Furuta; Hiroki Akutsu; Jun-ichi Yamada; Shin'ichi Nakatsuji; Scott S. Turner","The first organic molecule-based metal containing ferrocene","Journal of Materials Chemistry","2006","16","16","1504","","10.1039/b601614f","","","0.71069","MoKα","","0.1012","0.0672","","0.043","0.0403","0.0403","","","","","","1.2661","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203300","9.086","0.003","10.859","0.003","16.278","0.004","104.921","0.018","97.54","0.03","103.68","0.02","1476","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C70 H82 O2 -","- C70 H82 O2 -","- C70 H82 O2 -","1","0.5","","Smith, Rhett C.; Gleason, L. Beth; Protasiewicz, John D.","Solution and film photoluminescence of mesityl-substituted PPVs and low molecular weight models","Journal of Materials Chemistry","2006","16","25","2445","","10.1039/b601824f","","","0.71073","MoKα","","0.1229","0.0598","","","0.0784","0.085","","","","","","1.627","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203313","40.092","0.008","10.399","0.002","17.253","0.003","90","","92.43","0.03","90","","7187","2","120","2","120","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C57 H54 Cr2 Mn3 N27 O8 -","- C57 H71 Cr2 Mn3 N27 O8 -","- C228 H284 Cr8 Mn12 N108 O32 -","4","1","","Carmen Paraschiv; Marius Andruh; Yves Journaux; Zdirad Žak; Nathalie Kyritsakas; Louis Ricard","Trinuclear magnetic clusters based on cyanide metal complexes: synthesis, crystal structures, and magnetic properties of four new [Mn<small><sup>II</sup></small><small><sub>2</sub></small>M<small><sup>III</sup></small>] complexes (M = Cr, Fe, Co)","Journal of Materials Chemistry","2006","16","26","2660","","10.1039/b602055k","","","0.71073","MoKα","","0.0927","0.0744","","","0.1842","0.196","","","","","","1.073","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203314","9.7483","0.0002","11.5277","0.0003","11.6016","0.0003","68.5041","0.0011","86.9896","0.0011","78.3951","0.0012","1187.93","0.05","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H42 Cr Mn2 N13 O8 S -","- C37 H42 Cr Mn2 N13 O8 S -","- C37 H42 Cr Mn2 N13 O8 S -","1","0.5","","Carmen Paraschiv; Marius Andruh; Yves Journaux; Zdirad Žak; Nathalie Kyritsakas; Louis Ricard","Trinuclear magnetic clusters based on cyanide metal complexes: synthesis, crystal structures, and magnetic properties of four new [Mn<small><sup>II</sup></small><small><sub>2</sub></small>M<small><sup>III</sup></small>] complexes (M = Cr, Fe, Co)","Journal of Materials Chemistry","2006","16","26","2660","","10.1039/b602055k","","","0.71073","MoKα","","0.0687","0.056","","","0.1778","0.191","","","","","","1.168","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203315","23.478","0.005","13.805","0.005","17.086","0.005","90","","125.9","0.005","90","","4486","2","150","1","150","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","MnLFe(CN)6","","","- C37 H49 Fe Mn2 N13 O7.5 S -","- C37 H42 Fe Mn2 N13 O7.5 S -","- C148 H168 Fe4 Mn8 N52 O30 S4 -","4","0.5","","Carmen Paraschiv; Marius Andruh; Yves Journaux; Zdirad Žak; Nathalie Kyritsakas; Louis Ricard","Trinuclear magnetic clusters based on cyanide metal complexes: synthesis, crystal structures, and magnetic properties of four new [Mn<small><sup>II</sup></small><small><sub>2</sub></small>M<small><sup>III</sup></small>] complexes (M = Cr, Fe, Co)","Journal of Materials Chemistry","2006","16","26","2660","","10.1039/b602055k","","","0.71069","MoKα","","0.0506","0.0397","","","0.1053","0.1131","","","","","","1.036","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203316","23.46","0.005","13.766","0.005","17.047","0.005","90","0.005","125.998","0.005","90","0.005","4454","2","150","0.1","150","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","MnLCo(CN)6","","","- C37 H49 Co Mn2 N13 O7.5 S -","- C37 H42 Co Mn2 N13 O7.5 S -","- C148 H168 Co4 Mn8 N52 O30 S4 -","4","0.5","","Carmen Paraschiv; Marius Andruh; Yves Journaux; Zdirad Žak; Nathalie Kyritsakas; Louis Ricard","Trinuclear magnetic clusters based on cyanide metal complexes: synthesis, crystal structures, and magnetic properties of four new [Mn<small><sup>II</sup></small><small><sub>2</sub></small>M<small><sup>III</sup></small>] complexes (M = Cr, Fe, Co)","Journal of Materials Chemistry","2006","16","26","2660","","10.1039/b602055k","","","0.71069","MoKα","","0.0518","0.0399","","","0.1064","0.1148","","","","","","1.052","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203325","19.9608","0.001","17.0907","0.0009","21.2188","0.0011","90","","96.983","0.001","90","","7185","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H48 Cl4 Cu4 N20 O28.13 -","- C52 H48 Cl4 Cu4 N20 O28.134 -","- C208 H192 Cl16 Cu16 N80 O112.536 -","4","1","","Dawe, Louise N.; Abedin, Tareque S. M.; Kelly, Timothy L.; Thompson, Laurence K.; Miller, David O.; Zhao, Liang; Wilson, Claire; Leech, Michael A.; Howard, Judith A. K.","Self-assembled polymetallic square grids ([2 ? 2] M4, [3 ? 3] M9) and trigonal bipyramidal clusters (M5)?structural and magnetic properties","Journal of Materials Chemistry","2006","16","26","2645","","10.1039/b602595a","","","0.71073","MoKα","","0.0434","0.038","","","0.1024","0.1081","","","","","","1.053","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203326","13.02","0.0009","14.0538","0.001","16.5587","0.0012","90","","100.253","0.001","90","","2981.5","0.4","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H44 Mn4 N32 O6 -","- C48 H44 Mn4 N32 O6 -","- C96 H88 Mn8 N64 O12 -","2","1","","Dawe, Louise N.; Abedin, Tareque S. M.; Kelly, Timothy L.; Thompson, Laurence K.; Miller, David O.; Zhao, Liang; Wilson, Claire; Leech, Michael A.; Howard, Judith A. K.","Self-assembled polymetallic square grids ([2 ? 2] M4, [3 ? 3] M9) and trigonal bipyramidal clusters (M5)?structural and magnetic properties","Journal of Materials Chemistry","2006","16","26","2645","","10.1039/b602595a","","","0.71073","MoKα","","0.0948","0.0674","","","0.179","0.1962","","","","","","1.074","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203327","12.4058","0.0008","14.4617","0.001","22.1102","0.0015","72.629","0.001","80.747","0.001","78.257","0.001","3685.3","0.4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H54 F12 Mn4 N16 O20 S4 -","- C57 H54 F12 Mn4 N16 O20 S4 -","- C114 H108 F24 Mn8 N32 O40 S8 -","2","1","","Dawe, Louise N.; Abedin, Tareque S. M.; Kelly, Timothy L.; Thompson, Laurence K.; Miller, David O.; Zhao, Liang; Wilson, Claire; Leech, Michael A.; Howard, Judith A. K.","Self-assembled polymetallic square grids ([2 ? 2] M4, [3 ? 3] M9) and trigonal bipyramidal clusters (M5)?structural and magnetic properties","Journal of Materials Chemistry","2006","16","26","2645","","10.1039/b602595a","","","0.71069","MoKα","","0.055","0.0449","","","0.1192","0.1275","","","","","","1.031","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203328","22.912","0.009","21.105","0.007","18.184","0.007","90","","128.679","0.007","90","","6864","4","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H49 Cl4 Cu4 N31 O20 -","- C46 H49 Cl4 Cu4 N31 O20 -","- C184 H196 Cl16 Cu16 N124 O80 -","4","0.5","","Dawe, Louise N.; Abedin, Tareque S. M.; Kelly, Timothy L.; Thompson, Laurence K.; Miller, David O.; Zhao, Liang; Wilson, Claire; Leech, Michael A.; Howard, Judith A. K.","Self-assembled polymetallic square grids ([2 ? 2] M4, [3 ? 3] M9) and trigonal bipyramidal clusters (M5)?structural and magnetic properties","Journal of Materials Chemistry","2006","16","26","2645","","10.1039/b602595a","","","0.7107","MoKα","","0.1217","0.1101","","","0.2878","0.2986","","","","","","1.133","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203329","13.9992","0.0013","22.318","0.002","29.476","0.003","90","","93.573","0.002","90","","9191.4","1.5","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C81.5 H75 Cl4 Mn5 N25 O23.5 -","- C81.5 H73.5 Cl4 Mn5 N25 O23.5 -","- C326 H294 Cl16 Mn20 N100 O94 -","4","1","","Dawe, Louise N.; Abedin, Tareque S. M.; Kelly, Timothy L.; Thompson, Laurence K.; Miller, David O.; Zhao, Liang; Wilson, Claire; Leech, Michael A.; Howard, Judith A. K.","Self-assembled polymetallic square grids ([2 ? 2] M4, [3 ? 3] M9) and trigonal bipyramidal clusters (M5)?structural and magnetic properties","Journal of Materials Chemistry","2006","16","26","2645","","10.1039/b602595a","","","0.71073","MoKα","","0.1529","0.0745","","","0.1961","0.2436","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203330","16.8375","0.0019","23.483","0.003","23.61","0.003","90","","96.97","0.003","90","","9266","2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H74 Cl4 Mn5 N42 O29 -","- C60 H60 Cl4 Mn5 N42 O29 -","- C240 H240 Cl16 Mn20 N168 O116 -","4","1","","Dawe, Louise N.; Abedin, Tareque S. M.; Kelly, Timothy L.; Thompson, Laurence K.; Miller, David O.; Zhao, Liang; Wilson, Claire; Leech, Michael A.; Howard, Judith A. K.","Self-assembled polymetallic square grids ([2 ? 2] M4, [3 ? 3] M9) and trigonal bipyramidal clusters (M5)?structural and magnetic properties","Journal of Materials Chemistry","2006","16","26","2645","","10.1039/b602595a","","","0.7107","MoKα","","0.1096","0.0979","","","0.2731","0.2906","","","","","","1.062","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203331","27.9255","0.0013","27.9255","0.0013","40.217","0.002","90","","90","","90","","31363","3","153","2","153","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C102 H134 Mn9 N72 O58 -","- C102 H78 Mn9 N72 O58 -","- C816 H624 Mn72 N576 O464 -","8","0.25","","Dawe, Louise N.; Abedin, Tareque S. M.; Kelly, Timothy L.; Thompson, Laurence K.; Miller, David O.; Zhao, Liang; Wilson, Claire; Leech, Michael A.; Howard, Judith A. K.","Self-assembled polymetallic square grids ([2 ? 2] M4, [3 ? 3] M9) and trigonal bipyramidal clusters (M5)?structural and magnetic properties","Journal of Materials Chemistry","2006","16","26","2645","","10.1039/b602595a","","","0.7107","MoKα","","0.1356","0.1278","","","0.3008","0.3049","","","","","","1.348","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203332","20.9857","0.0014","20.9857","0.0014","17.3731","0.0012","90","","90","","90","","7651.1","0.9","153","2","153","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C102 H108.4 Cl10 Cu9 N66 O65.2 -","- C102 H82 Cl10 Cu9 N66 O65.2 -","- C204 H164 Cl20 Cu18 N132 O130.4 -","2","0.25","","Dawe, Louise N.; Abedin, Tareque S. M.; Kelly, Timothy L.; Thompson, Laurence K.; Miller, David O.; Zhao, Liang; Wilson, Claire; Leech, Michael A.; Howard, Judith A. K.","Self-assembled polymetallic square grids ([2 ? 2] M4, [3 ? 3] M9) and trigonal bipyramidal clusters (M5)?structural and magnetic properties","Journal of Materials Chemistry","2006","16","26","2645","","10.1039/b602595a","","","0.7107","MoKα","","0.1127","0.1023","","","0.2406","0.2479","","","","","","1.254","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203333","13.0139","0.0004","16.3755","0.0005","15.3571","0.0005","90","","99.636","0.002","90","","3226.56","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H64 Co2 N4 O12 -","- C76 H52 Co2 N4 O12 -","- C152 H104 Co4 N8 O24 -","2","0.5","","Guillem Aromí; Helen Stoeckli-Evans; Simon J. Teat; Joan Cano; Joan Ribas","Di- and trinuclear Co<small><sup>II</sup></small> complexes of a bis-β-diketone ligand with variable conformation: structure and magnetic studies","Journal of Materials Chemistry","2006","16","26","2635","","10.1039/b602831d","","","0.6898","synchrotron","","0.0622","0.0445","","","0.1241","0.1338","","","","","","1.048","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203334","11.1277","0.0009","11.9911","0.0009","15.5385","0.0012","88.681","0.006","78.05","0.006","79.383","0.006","1993.5","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H82 Co2 N6 O10 -","- C94 H82 Co2 N6 O10 -","- C94 H82 Co2 N6 O10 -","1","0.5","","Guillem Aromí; Helen Stoeckli-Evans; Simon J. Teat; Joan Cano; Joan Ribas","Di- and trinuclear Co<small><sup>II</sup></small> complexes of a bis-β-diketone ligand with variable conformation: structure and magnetic studies","Journal of Materials Chemistry","2006","16","26","2635","","10.1039/b602831d","","","0.71073","MoKα","","0.0638","0.0447","","","0.1152","0.1248","","","","","","1.035","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203335","14.979","0.004","15.001","0.004","16.832","0.008","110.075","0.009","106.062","0.009","106.923","0.007","3085.7","1.9","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C75 H54 Co3 O15 -","- C75 H42 Co3 O15 -","- C150 H84 Co6 O30 -","2","1","","Guillem Aromí; Helen Stoeckli-Evans; Simon J. Teat; Joan Cano; Joan Ribas","Di- and trinuclear Co<small><sup>II</sup></small> complexes of a bis-β-diketone ligand with variable conformation: structure and magnetic studies","Journal of Materials Chemistry","2006","16","26","2635","","10.1039/b602831d","","","0.6897","synchrotron","","0.1382","0.125","","","0.3631","0.3908","","","","","","1.735","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203336","22.8942","0.0001","22.8942","0.0001","22.8942","0.0001","90","","90","","90","","11999.9","0.09","123","2","123","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C42.5 H84 F3 Fe8 N4 O28 -","- C42.5 H81 F3 Fe8 N4 O28 -","- C340 H648 F24 Fe64 N32 O224 -","8","0.333333","","Jones, Leigh F.; Jensen, Paul; Moubaraki, Boujemaa; Berry, Kevin J.; Boas, John F.; Pilbrow, John R.; Murray, Keith S.","Heptanuclear iron(iii) triethanolamine clusters exhibiting ?millennium dome?-like topologies and an octanuclear analogue with ground spin states of S = 5/2 and 0, respectively","Journal of Materials Chemistry","2006","16","26","2690","","10.1039/b602858f","","","0.71073","MoKα","","0.0362","0.0285","","","0.0642","0.0674","","","","","","1.118","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203337","15.7648","0.0002","15.7648","0.0002","21.1873","0.0005","90","","90","","120","","4560.19","0.14","123","2","123","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C66 H132 Fe7 N3 O33 -","- C66 H123 Fe7 N3 O33 -","- C132 H246 Fe14 N6 O66 -","2","0.333333","","Jones, Leigh F.; Jensen, Paul; Moubaraki, Boujemaa; Berry, Kevin J.; Boas, John F.; Pilbrow, John R.; Murray, Keith S.","Heptanuclear iron(iii) triethanolamine clusters exhibiting ?millennium dome?-like topologies and an octanuclear analogue with ground spin states of S = 5/2 and 0, respectively","Journal of Materials Chemistry","2006","16","26","2690","","10.1039/b602858f","","","0.71073","MoKα","","0.093","0.0568","","","0.1179","0.1319","","","","","","1.026","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203338","15.5829","0.0008","15.5829","0.0008","20.893","0.001","90","","90","","120","","4393.7","0.4","123","2","123","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C63 H126 Fe7 N3 O33 -","- C63 H120 Fe7 N3 O33 -","- C126 H240 Fe14 N6 O66 -","2","0.333333","","Jones, Leigh F.; Jensen, Paul; Moubaraki, Boujemaa; Berry, Kevin J.; Boas, John F.; Pilbrow, John R.; Murray, Keith S.","Heptanuclear iron(iii) triethanolamine clusters exhibiting ?millennium dome?-like topologies and an octanuclear analogue with ground spin states of S = 5/2 and 0, respectively","Journal of Materials Chemistry","2006","16","26","2690","","10.1039/b602858f","","","0.71073","MoKα","","0.1324","0.0979","","","0.1623","0.1751","","","","","","1.124","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203351","11.7151","0.0007","12.8256","0.0008","13.0725","0.0008","95.35","0.001","111.716","0.001","116.379","0.001","1554.48","0.17","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H52 Fe N26 O2 S2 -","- C68 H48 Fe N26 O2 S2 -","- C68 H48 Fe N26 O2 S2 -","1","0.5","","Manuel Quesada; Maria Monrabal; Guillem Aromí; Víctor A. de la Peña-O'Shea; Martí Gich; Elies Molins; Olivier Roubeau; Simon J. Teat; Elizabeth J. MacLean; Patrick Gamez; Jan Reedijk","Spin transition in a triazine-based Fe(<small>II</small>) complex: variable-temperature structural, thermal, magnetic and spectroscopic studies","Journal of Materials Chemistry","2006","16","26","2669","","10.1039/b602903e","","","0.6923","synchrotron","","0.0566","0.0452","","","0.1268","0.1323","","","","","","1.065","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203352","11.666","0.0007","12.8283","0.0007","13.4211","0.0008","95.942","0.001","111.898","0.001","115.85","0.001","1589.67","0.16","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H52 Fe N26 O2 S2 -","- C68 H48 Fe N26 O2 S2 -","- C68 H48 Fe N26 O2 S2 -","1","0.5","","Manuel Quesada; Maria Monrabal; Guillem Aromí; Víctor A. de la Peña-O'Shea; Martí Gich; Elies Molins; Olivier Roubeau; Simon J. Teat; Elizabeth J. MacLean; Patrick Gamez; Jan Reedijk","Spin transition in a triazine-based Fe(<small>II</small>) complex: variable-temperature structural, thermal, magnetic and spectroscopic studies","Journal of Materials Chemistry","2006","16","26","2669","","10.1039/b602903e","","","0.6923","synchrotron","","0.0638","0.0477","","","0.1333","0.1412","","","","","","1.052","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203353","11.7103","0.0005","12.8096","0.0006","12.9408","0.0006","95.223","0.002","111.65","0.002","116.42","0.002","1537.99","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H52 Fe N26 O2 S2 -","- C68 H48 Fe N26 O2 S2 -","- C68 H48 Fe N26 O2 S2 -","1","0.5","","Manuel Quesada; Maria Monrabal; Guillem Aromí; Víctor A. de la Peña-O'Shea; Martí Gich; Elies Molins; Olivier Roubeau; Simon J. Teat; Elizabeth J. MacLean; Patrick Gamez; Jan Reedijk","Spin transition in a triazine-based Fe(<small>II</small>) complex: variable-temperature structural, thermal, magnetic and spectroscopic studies","Journal of Materials Chemistry","2006","16","26","2669","","10.1039/b602903e","","","0.6923","synchrotron","","0.0516","0.0434","","","0.1164","0.1206","","","","","","1.09","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203356","9.18","0.0016","9.2312","0.0016","9.2851","0.0017","115.971","0.003","96.663","0.003","110.403","0.002","628.39","0.19","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H50 N5 Ta -","- C20 H50 N5 Ta -","- C20 H50 N5 Ta -","1","1","","Davies, Hywel O.; Jones, Anthony C.; McKinnell, Elizabeth A.; Raftery, James; Muryn, Christopher A.; Afzaal, Mohammad; O'Brien, Paul","Tantalum(v) diethylamide, [Ta(NEt2)5]: a potentially important and crystalline precursor for the CVD of oxides containing tantalum","Journal of Materials Chemistry","2006","16","23","2226","","10.1039/b602986h","","","0.71073","MoKα","","0.0379","0.0349","","","0.0872","0.0908","","","","","","1.086","","","","has coordinates,has disorder","301863","2025-08-22","13:06:29",""
"7203357","9.454","0.005","4.905","0.005","15.495","0.005","90","","102.564","0.005","90","","701.3","0.8","173","2","173","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Copper Dimandelate","","","- C16 H14 Cu O6 -","- C16 H14 Cu O6 -","- C32 H28 Cu2 O12 -","2","0.5","","Beghidja, Adel; Rogez, Guillaume; Rabu, Pierre; Welter, Richard; Drillon, Marc","An approach to chiral magnets using ?-hydroxycarboxylates","Journal of Materials Chemistry","2006","16","26","2715","","10.1039/b603014a","","","0.71069","MoKα","","0.1293","0.0817","","","0.1216","0.1349","","","","","","1.16","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203358","7.988","0.001","8.998","0.001","9.029","0.001","90","","90","","90","","648.97","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H6 Mn O6 -","- C4 H6 Mn O6 -","- C16 H24 Mn4 O24 -","4","1","","Beghidja, Adel; Rogez, Guillaume; Rabu, Pierre; Welter, Richard; Drillon, Marc","An approach to chiral magnets using ?-hydroxycarboxylates","Journal of Materials Chemistry","2006","16","26","2715","","10.1039/b603014a","","","0.7107","MoKα","","0.0182","0.0176","","","0.0442","0.0444","","","","","","1.098","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203359","7.754","0.001","8.875","0.001","8.987","0.001","90","","90","","90","","618.46","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H6 Co O6 -","- C4 H6 Co O6 -","- C16 H24 Co4 O24 -","4","1","","Beghidja, Adel; Rogez, Guillaume; Rabu, Pierre; Welter, Richard; Drillon, Marc","An approach to chiral magnets using ?-hydroxycarboxylates","Journal of Materials Chemistry","2006","16","26","2715","","10.1039/b603014a","","","0.7107","MoKα","","0.0261","0.0227","","","0.0583","0.0605","","","","","","0.74","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203360","7.881","0.005","8.942","0.005","8.996","0.005","90","","90","","90","","634","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H6 Co0.37 Mn0.63 O6 -","- C4 H6 Co0.37 Mn0.63 O6 -","- C16 H24 Co1.48 Mn2.52 O24 -","4","1","","Beghidja, Adel; Rogez, Guillaume; Rabu, Pierre; Welter, Richard; Drillon, Marc","An approach to chiral magnets using ?-hydroxycarboxylates","Journal of Materials Chemistry","2006","16","26","2715","","10.1039/b603014a","","","0.71069","MoKα","","0.0177","0.0174","","","0.0425","0.0426","","","","","","1.109","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203361","7.86","0.001","8.923","0.001","8.984","0.001","90","","90","","90","","630.09","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H6 Fe O6 -","- C4 H6 Fe O6 -","- C16 H24 Fe4 O24 -","4","1","","Beghidja, Adel; Rogez, Guillaume; Rabu, Pierre; Welter, Richard; Drillon, Marc","An approach to chiral magnets using ?-hydroxycarboxylates","Journal of Materials Chemistry","2006","16","26","2715","","10.1039/b603014a","","","0.7107","MoKα","","0.0257","0.0241","","","0.0617","0.0626","","","","","","1.061","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203362","7.902","0.005","8.942","0.005","9.053","0.005","90","","90","","90","","639.7","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H6 Mn0.79 Ni0.21 O6 -","- C4 H6 Mn0.79 Ni0.21 O6 -","- C16 H24 Mn3.16 Ni0.84 O24 -","4","1","","Beghidja, Adel; Rogez, Guillaume; Rabu, Pierre; Welter, Richard; Drillon, Marc","An approach to chiral magnets using ?-hydroxycarboxylates","Journal of Materials Chemistry","2006","16","26","2715","","10.1039/b603014a","","","0.71069","MoKα","","0.0174","0.017","","","0.0478","0.048","","","","","","1.008","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203363","14.296","0.003","6.899","0.002","22.434","0.005","90","","119.66","0.05","90","","1922.7","1.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Co O7 -","- C19 H22 Co O7 -","- C76 H88 Co4 O28 -","4","1","","Beghidja, Adel; Rogez, Guillaume; Rabu, Pierre; Welter, Richard; Drillon, Marc","An approach to chiral magnets using ?-hydroxycarboxylates","Journal of Materials Chemistry","2006","16","26","2715","","10.1039/b603014a","","","0.71069","MoKα","","0.1807","0.0946","","","0.1487","0.2014","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203364","9.336","0.005","25.97","0.009","8.25","0.005","90","","106.045","0.005","90","","1922.3","1.7","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H22 Cu O7 -","- C19 H22 Cu O7 -","- C76 H88 Cu4 O28 -","4","1","","Beghidja, Adel; Rogez, Guillaume; Rabu, Pierre; Welter, Richard; Drillon, Marc","An approach to chiral magnets using ?-hydroxycarboxylates","Journal of Materials Chemistry","2006","16","26","2715","","10.1039/b603014a","","","0.71069","MoKα","","0.1954","0.12","","","0.1728","0.2035","","","","","","1.166","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203365","7.864","0.004","8.054","0.004","9.893","0.005","70.04","0.05","73.31","0.05","83.69","0.05","564.1","0.5","294","2","294","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H26 N2 O3 S -","- C26 H26 N2 O3 S -","- C26 H26 N2 O3 S -","1","1","","Blanca Ruiz; Zhou Yang; Volker Gramlich; Mojca Jazbinsek; Peter Günter","Synthesis and crystal structure of a new stilbazolium salt with large second-order optical nonlinearity","Journal of Materials Chemistry","2006","16","27","2839","","10.1039/b603049a","","","1.54178","CuKα","","0.215","0.1299","","","0.2828","0.3389","","","","","","0.622","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203366","13.6684","0.0004","7.4084","0.0002","23.4344","0.0008","90","","101.691","0.0012","90","","2323.76","0.12","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","2D-grid-FeSm","","","- C16 H18 Fe N8 O7 Sm -","- C16 H8 Fe N8 O7 Sm -","- C64 H32 Fe4 N32 O28 Sm4 -","4","1","","Zhang, Yuan-Zhu; Duan, Gong-Ping; Sato, Osamu; Gao, Song","Structures and magnetism of cyano-bridged grid-like two-dimensional 4f?3d arrays","Journal of Materials Chemistry","2006","16","26","2625","","10.1039/b603050e","","","0.71073","MoKα","","0.131","0.0739","","","0.1842","0.1987","","","","","","1.088","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203367","7.3467","0.0002","11.7325","0.0003","13.5919","0.0004","101.563","0.0016","90.6115","0.0017","92.7337","0.0012","1146.23","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","TbFe-2D","","","- C16 H18 Fe N8 O7 Tb -","- C16 H8 Fe N8 O7 Tb -","- C32 H16 Fe2 N16 O14 Tb2 -","2","1","","Zhang, Yuan-Zhu; Duan, Gong-Ping; Sato, Osamu; Gao, Song","Structures and magnetism of cyano-bridged grid-like two-dimensional 4f?3d arrays","Journal of Materials Chemistry","2006","16","26","2625","","10.1039/b603050e","","","0.71073","MoKα","","0.1326","0.0935","","","0.2335","0.2499","","","","","","1.004","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203381","15.8727","0.0007","8.3021","0.0004","16.7073","0.0007","90","","90.279","0.002","90","","2201.61","0.17","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Br N Ni S6 -","- C20 H15 Br N Ni S6 -","- C80 H60 Br4 N4 Ni4 S24 -","4","1","","Belo, D.; Figueira, M. J.; Nunes, J. P. M.; Santos, I. C.; Pereira, L. C.; Gama, V.; Almeida, M.; Rovira, C.","Magnetic properties of RBzPy[Ni(?-tpdt)2] (R = H, Br, F): effects of cis?trans disorder","Journal of Materials Chemistry","2006","16","26","2746","","10.1039/b603443h","","","0.71073","MoKα","","0.0661","0.0388","","","0.0905","0.098","","","","","","1.036","","","","has coordinates,has disorder","301863","2025-08-22","13:06:29",""
"7203382","10.428","0.0012","12.394","0.0006","16.594","0.0019","90","","90","","90","","2144.7","0.4","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 F N Ni S6 -","- C20 H15 F N Ni S6 -","- C80 H60 F4 N4 Ni4 S24 -","4","1","","Belo, D.; Figueira, M. J.; Nunes, J. P. M.; Santos, I. C.; Pereira, L. C.; Gama, V.; Almeida, M.; Rovira, C.","Magnetic properties of RBzPy[Ni(?-tpdt)2] (R = H, Br, F): effects of cis?trans disorder","Journal of Materials Chemistry","2006","16","26","2746","","10.1039/b603443h","","","0.71073","MoKα","","0.0858","0.0584","","","0.1303","0.1402","","","","","","0.99","","","","has coordinates,has disorder","301863","2025-08-22","13:06:29",""
"7203383","14.914","0.0009","9.3981","0.0007","15.3174","0.001","90","","97.784","0.004","90","","2127.2","0.2","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N Ni S6 -","- C20 H16 N Ni S6 -","- C80 H64 N4 Ni4 S24 -","4","1","","Belo, D.; Figueira, M. J.; Nunes, J. P. M.; Santos, I. C.; Pereira, L. C.; Gama, V.; Almeida, M.; Rovira, C.","Magnetic properties of RBzPy[Ni(?-tpdt)2] (R = H, Br, F): effects of cis?trans disorder","Journal of Materials Chemistry","2006","16","26","2746","","10.1039/b603443h","","","0.71073","MoKα","","0.0542","0.0369","","","0.0952","0.102","","","","","","1.045","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203384","17.2769","0.0013","10.7994","0.0008","17.8486","0.0014","90","","90","","90","","3330.2","0.4","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H18 Cl2 Cu N5 O -","- C13 H18 Cl2 Cu N5 O -","- C104 H144 Cl16 Cu8 N40 O8 -","8","1","","Gilroy, Joe B.; Koivisto, Bryan D.; McDonald, Robert; Ferguson, Michael J.; Hicks, Robin G.","Magnetostructural studies of copper(ii)?verdazyl radical complexes","Journal of Materials Chemistry","2006","16","26","2618","","10.1039/b603624d","","","0.71073","MoKα","","0.0517","0.0488","","","0.1126","0.1137","","","","","","1.373","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203385","14.9568","0.0012","9.9809","0.0008","17.3231","0.0014","90","","90","","90","","2586","0.4","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H10 Cl2 Cu N5 O -","- C9 H10 Cl2 Cu N5 O -","- C72 H80 Cl16 Cu8 N40 O8 -","8","1","","Gilroy, Joe B.; Koivisto, Bryan D.; McDonald, Robert; Ferguson, Michael J.; Hicks, Robin G.","Magnetostructural studies of copper(ii)?verdazyl radical complexes","Journal of Materials Chemistry","2006","16","26","2618","","10.1039/b603624d","","","0.71073","MoKα","","0.0269","0.023","","","0.0626","0.0656","","","","","","1.077","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203386","5.1997","0.0013","26.482","0.007","10.429","0.003","90","","103.785","0.004","90","","1394.7","0.6","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,5-diisopropyl-3-(2-pyridyl)-6-oxoverdazyl","","- C13 H18 N5 O -","- C13 H18 N5 O -","- C52 H72 N20 O4 -","4","1","","Gilroy, Joe B.; Koivisto, Bryan D.; McDonald, Robert; Ferguson, Michael J.; Hicks, Robin G.","Magnetostructural studies of copper(ii)?verdazyl radical complexes","Journal of Materials Chemistry","2006","16","26","2618","","10.1039/b603624d","","","0.71073","MoKα","","0.1148","0.0524","","","0.0993","0.1187","","","","","","1.015","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203387","9.811","0.0009","10.9073","0.001","12.5202","0.0012","78.5653","0.0014","83.4835","0.0014","73.6999","0.0014","1258","0.2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H13 Cu F12 N6 O5 -","- C18 H13 Cu F12 N6 O5 -","- C36 H26 Cu2 F24 N12 O10 -","2","1","","Gilroy, Joe B.; Koivisto, Bryan D.; McDonald, Robert; Ferguson, Michael J.; Hicks, Robin G.","Magnetostructural studies of copper(ii)?verdazyl radical complexes","Journal of Materials Chemistry","2006","16","26","2618","","10.1039/b603624d","","","0.71073","MoKα","","0.0636","0.0453","","","0.1207","0.1302","","","","","","1.072","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203400","14.695","0.002","13.33","0.0014","41.182","0.005","90","","94.32","0.01","90","","8044","1.7","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2-(4-tert-Butylphenyl)-5-(4-(9,9-dihexyl-2-(trimethylsilyl)- fluoren-7-yl)phenyl)-1,3,4-oxadiazole","2-(4-tert-Butylphenyl)-5-{4-[9,9-dihexyl-2-(trimethylsilyl)-fluoren-7- yl]phenyl}-1,3,4-oxadiazole","","- C46 H58 N2 O Si -","- C46 H58 N2 O Si -","- C368 H464 N16 O8 Si8 -","8","1","","Kamtekar, Kiran T.; Wang, Changsheng; Bettington, Sylvia; Batsanov, Andrei S.; Perepichka, Igor F.; Bryce, Martin R.; Ahn, Jin H.; Rabinal, Mohammad; Petty, Michael C.","New electroluminescent bipolar compounds for balanced charge-transport and tuneable colour in organic light emitting diodes: triphenylamine?oxadiazole?fluorene triad molecules","Journal of Materials Chemistry","2006","16","39","3823","","10.1039/b604543j","","","0.71073","MoKα","","0.0911","0.0447","","","0.1001","0.1178","","","","","","0.938","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203401","10.945","0.005","12.714","0.003","13.128","0.004","96.1","0.01","93.84","0.01","94.38","0.01","1806","1.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","2-(4-tert-Butylphenyl)-5-(4-(9,9-dihexyl-2-bromofluoren-7- yl)phenyl)-1,3,4-oxadiazole","2-(4-tert-Butylphenyl)-5-[4-(9,9-dihexyl-2-bromofluoren-7- yl)phenyl]-1,3,4-oxadiazole","","- C43 H49 Br N2 O -","- C43 H49 Br N2 O -","- C86 H98 Br2 N4 O2 -","2","1","","Kamtekar, Kiran T.; Wang, Changsheng; Bettington, Sylvia; Batsanov, Andrei S.; Perepichka, Igor F.; Bryce, Martin R.; Ahn, Jin H.; Rabinal, Mohammad; Petty, Michael C.","New electroluminescent bipolar compounds for balanced charge-transport and tuneable colour in organic light emitting diodes: triphenylamine?oxadiazole?fluorene triad molecules","Journal of Materials Chemistry","2006","16","39","3823","","10.1039/b604543j","","","0.71073","MoKα","","0.0518","0.0351","","","0.0888","0.0937","","","","","","1.032","","","","has coordinates,has disorder","301863","2025-08-22","13:06:29",""
"7203402","21.462","0.006","9.581","0.003","23.428","0.006","90","","96.48","0.02","90","","4787","2","120","2","120","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","2,5-Bis(2-(4-diphenylaminophenyl)-1,3,4-oxadiazol-5- yl)pyridine, deuterochloroform trisolvate","2,5-Bis[2-(4-diphenylaminophenyl)-1,3,4-oxadiazol-5- yl]pyridine, deuterochloroform trisolvate","","- C48 H31 Cl9 D3 N7 O2 -","- C48 H31 Cl9 D3 N7 O2 -","- C192 H124 Cl36 D12 N28 O8 -","4","0.5","","Kamtekar, Kiran T.; Wang, Changsheng; Bettington, Sylvia; Batsanov, Andrei S.; Perepichka, Igor F.; Bryce, Martin R.; Ahn, Jin H.; Rabinal, Mohammad; Petty, Michael C.","New electroluminescent bipolar compounds for balanced charge-transport and tuneable colour in organic light emitting diodes: triphenylamine?oxadiazole?fluorene triad molecules","Journal of Materials Chemistry","2006","16","39","3823","","10.1039/b604543j","","","0.71073","MoKα","","0.0648","0.0547","","","0.1607","0.1656","","","","","","1.681","","","","has coordinates,has disorder","301863","2025-08-22","13:06:29",""
"7203403","7.3569","0.0011","6.1392","0.001","34.909","0.006","90","","91.43","0.02","90","","1576.2","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-(4-tert-butylphenyl)-5-(4-bromophenyl)-1,3,4-oxadiazole","2-(4-tert-butylphenyl)-5-(4-bromophenyl)-1,3,4-oxadiazole","","- C18 H17 Br N2 O -","- C18 H17 Br N2 O -","- C72 H68 Br4 N8 O4 -","4","1","","Kamtekar, Kiran T.; Wang, Changsheng; Bettington, Sylvia; Batsanov, Andrei S.; Perepichka, Igor F.; Bryce, Martin R.; Ahn, Jin H.; Rabinal, Mohammad; Petty, Michael C.","New electroluminescent bipolar compounds for balanced charge-transport and tuneable colour in organic light emitting diodes: triphenylamine?oxadiazole?fluorene triad molecules","Journal of Materials Chemistry","2006","16","39","3823","","10.1039/b604543j","","","0.71073","MoKα","","0.0832","0.076","","","0.1678","0.171","","","","","","1.158","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203410","32.361","0.001","8.8752","0.0004","21.1416","0.0005","90","","118.26","0.002","90","","5348.3","0.3","218","2","218","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H34 Co2 F24 N8 O12 -","- C40 H34 Co2 F24 N8 O12 -","- C160 H136 Co8 F96 N32 O48 -","4","0.5","","Catala, Laure; Wurst, Klaus; Amabilino, David B.; Veciana, Jaume","Polymorphs of a pyrazole nitronyl nitroxide and its complexes with metal(ii) hexafluoroacetylacetonates","Journal of Materials Chemistry","2006","16","26","2736","","10.1039/b604598g","","","0.71073","MoKα","","0.0492","0.0368","","","0.0874","0.0928","","","","","","1.042","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203411","13.111","0.003","13.153","0.004","13.664","0.004","95.901","0.008","110.85","0.01","103.85","0.01","2091.6","1","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C30.5 H32.5 Cl1.5 F12 N8 Ni O8 -","- C30.5 H32 Cl1.5 F12 N8 Ni O8 -","- C61 H64 Cl3 F24 N16 Ni2 O16 -","2","1","","Catala, Laure; Wurst, Klaus; Amabilino, David B.; Veciana, Jaume","Polymorphs of a pyrazole nitronyl nitroxide and its complexes with metal(ii) hexafluoroacetylacetonates","Journal of Materials Chemistry","2006","16","26","2736","","10.1039/b604598g","","","0.71073","MoKα","","0.2209","0.0922","","","0.1718","0.2124","","","","","","0.976","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203412","13.8867","0.0004","13.1057","0.0003","13.4309","0.0004","90","","105.917","0.001","90","","2350.64","0.11","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 N4 O2 -","- C10 H15 N4 O2 -","- C80 H120 N32 O16 -","8","2","","Catala, Laure; Wurst, Klaus; Amabilino, David B.; Veciana, Jaume","Polymorphs of a pyrazole nitronyl nitroxide and its complexes with metal(ii) hexafluoroacetylacetonates","Journal of Materials Chemistry","2006","16","26","2736","","10.1039/b604598g","","","0.71073","MoKα","","0.0425","0.0343","","","0.0866","0.0908","","","","","","1.035","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203413","13.2125","0.0007","10.9602","0.0006","22.4329","0.0011","90","","95.053","0.001","90","","3235.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H106 Mn4 N4 O16 -","- C52 H106 Mn4 N4 O16 -","- C104 H212 Mn8 N8 O32 -","2","0.5","","Ayuk M. Ako; Valeriu Mereacre; Ian J. Hewitt; Rodolphe Clérac; Lollita Lecren; Christopher E. Anson; Annie K. Powell","Enhancing single molecule magnet parameters. Synthesis, crystal structures and magnetic properties of mixed-valent Mn<small><sub>4</sub></small> SMMs","Journal of Materials Chemistry","2006","16","26","2579","","10.1039/b604611h","","","0.71073","MoKα","","0.0357","0.0278","","","0.0721","0.074","","","","","","0.973","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203414","16.6894","0.0014","8.736","0.0007","21.3378","0.0018","90","","92.949","0.002","90","","3106.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H88 Mn4 N4 O16 -","- C60 H88 Mn4 N4 O16 -","- C120 H176 Mn8 N8 O32 -","2","0.5","","Ayuk M. Ako; Valeriu Mereacre; Ian J. Hewitt; Rodolphe Clérac; Lollita Lecren; Christopher E. Anson; Annie K. Powell","Enhancing single molecule magnet parameters. Synthesis, crystal structures and magnetic properties of mixed-valent Mn<small><sub>4</sub></small> SMMs","Journal of Materials Chemistry","2006","16","26","2579","","10.1039/b604611h","","","0.71073","MoKα","","0.0559","0.0416","","","0.0949","0.1001","","","","","","1.012","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203415","30.242","0.003","8.671","0.0006","26.618","0.003","90","","119.915","0.009","90","","6050","1.1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H75.9 Mn4 N4.7 O20.3 -","- C54 H75.3 Mn4 N4.7 O20.3 -","- C216 H301.2 Mn16 N18.8 O81.2 -","4","0.5","","Ayuk M. Ako; Valeriu Mereacre; Ian J. Hewitt; Rodolphe Clérac; Lollita Lecren; Christopher E. Anson; Annie K. Powell","Enhancing single molecule magnet parameters. Synthesis, crystal structures and magnetic properties of mixed-valent Mn<small><sub>4</sub></small> SMMs","Journal of Materials Chemistry","2006","16","26","2579","","10.1039/b604611h","","","0.71073","MoKα","","0.1091","0.0904","","","0.2279","0.2397","","","","","","1.091","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203420","10.356","0.004","13.044","0.005","19.594","0.007","97.79","0.008","104.678","0.008","99.573","0.009","2480.6","1.6","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H53 Cl3 Si2 -","- C63 H53 Cl3 Si2 -","- C126 H106 Cl6 Si4 -","2","1","","Xiaowei Zhan; Chad Risko; Alexander Korlyukov; Francis Sena; Tatiana V. Timofeeva; Mikhail Yu. Antipin; Stephen Barlow; Jean-Luc Brédas; Seth R. Marder","Comparative studies of the geometric and electronic properties of 1,1-disubstituted-2,3,4,5-tetraphenylsiloles and 1,1,2,2-tetramethyl-3,4,5,6-tetraphenyl-1,2-disila-3,5-cyclohexadiene","Journal of Materials Chemistry","2006","16","39","3814","","10.1039/b605343b","","","0.71073","MoKα","","0.2242","0.0704","","","0.126","0.1509","","","","","","0.94","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203421","27.005","0.007","16.153","0.007","16.336","0.005","90","","93.294","0.01","90","","7114","4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 O2 Si -","- C30 H26 O2 Si -","- C360 H312 O24 Si12 -","12","1.5","","Xiaowei Zhan; Chad Risko; Alexander Korlyukov; Francis Sena; Tatiana V. Timofeeva; Mikhail Yu. Antipin; Stephen Barlow; Jean-Luc Brédas; Seth R. Marder","Comparative studies of the geometric and electronic properties of 1,1-disubstituted-2,3,4,5-tetraphenylsiloles and 1,1,2,2-tetramethyl-3,4,5,6-tetraphenyl-1,2-disila-3,5-cyclohexadiene","Journal of Materials Chemistry","2006","16","39","3814","","10.1039/b605343b","","","0.71073","MoKα","","0.103","0.0547","","","0.1065","0.1182","","","","","","1.014","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203422","9.782","0.002","22.465","0.006","12.753","0.003","90","","99.581","0.019","90","","2763.4","1.1","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 Si2 -","- C32 H32 Si2 -","- C128 H128 Si8 -","4","1","","Xiaowei Zhan; Chad Risko; Alexander Korlyukov; Francis Sena; Tatiana V. Timofeeva; Mikhail Yu. Antipin; Stephen Barlow; Jean-Luc Brédas; Seth R. Marder","Comparative studies of the geometric and electronic properties of 1,1-disubstituted-2,3,4,5-tetraphenylsiloles and 1,1,2,2-tetramethyl-3,4,5,6-tetraphenyl-1,2-disila-3,5-cyclohexadiene","Journal of Materials Chemistry","2006","16","39","3814","","10.1039/b605343b","","","0.71073","MoKα","","0.0563","0.0364","","","0.0875","0.1013","","","","","","0.991","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203423","7.191","0.003","35.436","0.014","13.048","0.005","90","","90","","90","","3325","2","293","","293","","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C16 H8 Br4 Cl4 Fe S4 Se8 -","- C16 H8 Br4 Cl4 Fe S4 Se8 -","- C64 H32 Br16 Cl16 Fe4 S16 Se32 -","4","0.25","","Shirahata, Takashi; Kibune, Megumi; Maesato, Mitsuhiko; Kawashima, Tomohito; Saito, Gunzi; Imakubo, Tatsuro","New organic conductors based on dibromo- and diiodo-TSeFs with magnetic and non-magnetic MX4 counter anions (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2006","16","33","3381","","10.1039/b605420j","","","0.71073","MoKα","","0.163","0.0621","","","0.1555","0.2128","","","","","","0.796","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203424","7.205","0.003","35.506","0.015","13.063","0.005","90","","90","","90","","3342","2","293","","293","","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C16 H8 Br4 Cl4 Ga S4 Se8 -","- C16 H8 Br4 Cl4 Ga S4 Se8 -","- C64 H32 Br16 Cl16 Ga4 S16 Se32 -","4","0.25","","Shirahata, Takashi; Kibune, Megumi; Maesato, Mitsuhiko; Kawashima, Tomohito; Saito, Gunzi; Imakubo, Tatsuro","New organic conductors based on dibromo- and diiodo-TSeFs with magnetic and non-magnetic MX4 counter anions (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2006","16","33","3381","","10.1039/b605420j","","","0.71073","MoKα","","0.1431","0.0653","","","0.1541","0.2009","","","","","","0.789","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203425","38.489","0.013","7.207","0.002","13.08","0.004","90","","109.405","0.008","90","","3422.2","1.8","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H8 Br8 Fe S4 Se8 -","- C16 H8 Br8 Fe S4 Se8 -","- C64 H32 Br32 Fe4 S16 Se32 -","4","0.5","","Shirahata, Takashi; Kibune, Megumi; Maesato, Mitsuhiko; Kawashima, Tomohito; Saito, Gunzi; Imakubo, Tatsuro","New organic conductors based on dibromo- and diiodo-TSeFs with magnetic and non-magnetic MX4 counter anions (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2006","16","33","3381","","10.1039/b605420j","","","0.71073","MoKα","","0.1495","0.0614","","","0.1518","0.1884","","","","","","0.895","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203426","38.506","0.011","7.214","0.002","13.084","0.004","90","","109.567","0.006","90","","3424.6","1.7","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H8 Br8 Ga S4 Se8 -","- C16 H8 Br8 Ga S4 Se8 -","- C64 H32 Br32 Ga4 S16 Se32 -","4","0.5","","Shirahata, Takashi; Kibune, Megumi; Maesato, Mitsuhiko; Kawashima, Tomohito; Saito, Gunzi; Imakubo, Tatsuro","New organic conductors based on dibromo- and diiodo-TSeFs with magnetic and non-magnetic MX4 counter anions (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2006","16","33","3381","","10.1039/b605420j","","","0.71073","MoKα","","0.1404","0.075","","","0.249","0.269","","","","","","1.081","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203427","7.3104","0.0015","35.755","0.008","13.552","0.003","90","","90","","90","","3542.3","1.3","293","","293","","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C16 H8 Cl4 Fe I4 S4 Se8 -","- C16 H8 Cl4 Fe I4 S4 Se8 -","- C64 H32 Cl16 Fe4 I16 S16 Se32 -","4","0.25","","Shirahata, Takashi; Kibune, Megumi; Maesato, Mitsuhiko; Kawashima, Tomohito; Saito, Gunzi; Imakubo, Tatsuro","New organic conductors based on dibromo- and diiodo-TSeFs with magnetic and non-magnetic MX4 counter anions (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2006","16","33","3381","","10.1039/b605420j","","","0.71073","MoKα","","0.0567","0.0385","","","0.1045","0.1266","","","","","","1.061","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203428","7.313","0.003","35.766","0.013","13.558","0.005","90","","90","","90","","3546","2","293","","293","","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C16 H8 Cl4 Ga I4 S4 Se8 -","- C16 H8 Cl4 Ga I4 S4 Se8 -","- C64 H32 Cl16 Ga4 I16 S16 Se32 -","4","0.25","","Shirahata, Takashi; Kibune, Megumi; Maesato, Mitsuhiko; Kawashima, Tomohito; Saito, Gunzi; Imakubo, Tatsuro","New organic conductors based on dibromo- and diiodo-TSeFs with magnetic and non-magnetic MX4 counter anions (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2006","16","33","3381","","10.1039/b605420j","","","0.71073","MoKα","","0.1263","0.064","","","0.1482","0.1831","","","","","","0.86","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203429","7.317","0.002","36.582","0.012","13.569","0.004","90","","90","","90","","3632","1.9","293","","293","","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C16 H8 Br4 Fe I4 S4 Se8 -","- C16 H8 Br4 Fe I4 S4 Se8 -","- C64 H32 Br16 Fe4 I16 S16 Se32 -","4","0.25","","Shirahata, Takashi; Kibune, Megumi; Maesato, Mitsuhiko; Kawashima, Tomohito; Saito, Gunzi; Imakubo, Tatsuro","New organic conductors based on dibromo- and diiodo-TSeFs with magnetic and non-magnetic MX4 counter anions (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2006","16","33","3381","","10.1039/b605420j","","","0.71073","MoKα","","0.0913","0.0534","","","0.126","0.1552","","","","","","1.007","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203430","7.3241","0.0017","36.602","0.009","13.58","0.003","90","","90","","90","","3640.5","1.5","293","","293","","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C16 H8 Br4 Fe I4 S4 Se8 -","- C16 H8 Br4 Fe I4 S4 Se8 -","- C64 H32 Br16 Fe4 I16 S16 Se32 -","4","0.25","","Shirahata, Takashi; Kibune, Megumi; Maesato, Mitsuhiko; Kawashima, Tomohito; Saito, Gunzi; Imakubo, Tatsuro","New organic conductors based on dibromo- and diiodo-TSeFs with magnetic and non-magnetic MX4 counter anions (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2006","16","33","3381","","10.1039/b605420j","","","0.71073","MoKα","","0.0678","0.0416","","","0.1159","0.137","","","","","","0.913","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203431","16.0034","0.0009","33.0383","0.0007","10.6224","0.0005","90","","97.142","0.002","90","","5572.8","0.4","193","2","193","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","3,6-Bis-(2,5-bis-hexyloxy-4-phenylethynyl-phenylethynyl)- fluoren-9-one","","","- C69 H72 O5 -","- C69 H72 O5 -","- C276 H288 O20 -","4","0.5","","Matthias Lehmann; Shin-Woong Kang; Christiane Köhn; Sönke Haseloh; Ute Kolb; Dieter Schollmeyer; QingBing Wang; Satyendra Kumar","Shape-persistent V-shaped mesogens—formation of nematic phases with biaxial order","Journal of Materials Chemistry","2006","16","44","4326","","10.1039/b605718g","","","1.54178","CuKα","","0.059","0.0453","","","0.1119","0.1207","","","","","","1.026","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203467","13.104","0.005","25.175","0.009","16.573","0.006","90","","99.814","0.007","90","","5387","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C108 H94 Mn6 N8 O30 P4 -","- C108 H94 Mn6 N8 O30 P4 -","- C216 H188 Mn12 N16 O60 P8 -","2","0.5","","Shanmugam, Maheswaran; Shanmugam, Muralidharan; Chastanet, Guillaume; Sessoli, Roberta; Mallah, Talal; Wernsdorfer, Wolfgang; Winpenny, Richard E. P.","Minor changes in phosphonate ligands lead to new hexa- and dodeca-nuclear Mn clusters","Journal of Materials Chemistry","2006","16","26","2576","","10.1039/b606571f","","","0.71073","MoKα","","0.0673","0.0383","","","0.0758","0.0811","","","","","","0.864","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203468","25.261","0.016","25.341","0.016","28.763","0.017","71.536","0.013","80.221","0.012","83.453","0.012","17175","18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C161.63 H147.88 Li Mn12 N9.13 O50.38 P4 -","- C161.625 H147.875 Li Mn12 N9.125 O50.375 P4 -","- C646.5 H591.5 Li4 Mn48 N36.5 O201.5 P16 -","4","2","","Shanmugam, Maheswaran; Shanmugam, Muralidharan; Chastanet, Guillaume; Sessoli, Roberta; Mallah, Talal; Wernsdorfer, Wolfgang; Winpenny, Richard E. P.","Minor changes in phosphonate ligands lead to new hexa- and dodeca-nuclear Mn clusters","Journal of Materials Chemistry","2006","16","26","2576","","10.1039/b606571f","","","0.71073","MoKα","","0.1483","0.0598","","","0.1325","0.1582","","","","","","0.772","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203477","5.0294","0.0011","7.4771","0.0017","19.701","0.004","97.683","0.004","92.558","0.004","109.44","0.004","689.2","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H30 O6 -","- C36 H30 O6 -","- C36 H30 O6 -","1","0.5","","Rüdiger Schmidt; Silke Göttling; Dirk Leusser; Dietmar Stalke; Ana-Maria Krause; Frank Würthner","Highly soluble acenes as semiconductors for thin film transistors","Journal of Materials Chemistry","2006","16","37","3708","","10.1039/b607172d","","","0.71073","MoKα","","0.0649","0.0516","","","0.126","0.1326","","","","","","1.084","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203478","35.241","0.003","5.6021","0.0005","20.1942","0.0018","90","","90.868","0.002","90","","3986.4","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 Cl6 O6 -","- C42 H34 Cl6 O6 -","- C168 H136 Cl24 O24 -","4","1","","Rüdiger Schmidt; Silke Göttling; Dirk Leusser; Dietmar Stalke; Ana-Maria Krause; Frank Würthner","Highly soluble acenes as semiconductors for thin film transistors","Journal of Materials Chemistry","2006","16","37","3708","","10.1039/b607172d","","","0.71073","MoKα","","0.0599","0.0544","","","0.1117","0.1138","","","","","","1.236","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203503","18.217","0.006","18.217","0.006","24.865","0.007","90","","90","","120","","7146","4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C42 H24 Fe4 N6 O S12 -","- C42 H24 Fe4 N6 O S12 -","- C252 H144 Fe24 N36 O6 S72 -","6","0.333333","","Jian, Fangfang; Xiao, Hailian; Bai, Zhengshuai; Zhao, Pusu","Synthesis, characterization and nonlinear optical effects of M4(?4-O) core complexes with large two-photon absorption cross-section","Journal of Materials Chemistry","2006","16","38","3746","","10.1039/b607731e","","","0.71073","MoKα","","0.1167","0.0755","","","0.1298","0.1483","","","","","","1.023","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203504","18.264","0.003","18.264","0.003","24.878","0.005","90","","90","","120","","7187","2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C42 H24 Co4 N6 O S12 -","- C42 H24 Co4 N6 O S12 -","- C252 H144 Co24 N36 O6 S72 -","6","0.333333","","Jian, Fangfang; Xiao, Hailian; Bai, Zhengshuai; Zhao, Pusu","Synthesis, characterization and nonlinear optical effects of M4(?4-O) core complexes with large two-photon absorption cross-section","Journal of Materials Chemistry","2006","16","38","3746","","10.1039/b607731e","","","0.71073","MoKα","","0.1131","0.0423","","","0.0681","0.082","","","","","","0.982","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203505","18.261","0.003","18.261","0.003","24.862","0.005","90","","90","","120","","7180","2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C42 H24 N6 Ni4 O S12 -","- C42 H24 N6 Ni4 O S12 -","- C252 H144 N36 Ni24 O6 S72 -","6","0.333333","","Jian, Fangfang; Xiao, Hailian; Bai, Zhengshuai; Zhao, Pusu","Synthesis, characterization and nonlinear optical effects of M4(?4-O) core complexes with large two-photon absorption cross-section","Journal of Materials Chemistry","2006","16","38","3746","","10.1039/b607731e","","","0.71073","MoKα","","0.1551","0.0955","","","0.1798","0.2095","","","","","","1.028","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203512","10.093972","0.000026","10.093972","","10.093972","","90","","90","","90","","1028.46","0.003","","","","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- O7 Ti1.99 Y1.98 -","- O7 Ti1.994 Y1.9766 -","- O56 Ti15.952 Y15.8128 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","3.67","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203513","10.11355","0.000026","10.11355","","10.11355","","90","","90","","90","","1034.45","0.003","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La0.1 O7 Ti2 Y1.9 -","- La0.1 O7 Ti2 Y1.9 -","- La0.8 O56 Ti16 Y15.2 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","3.54","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203514","10.13428","0.00004","10.13428","","10.13428","","90","","90","","90","","1040.83","0.004","","","298","","","","101.325","","","","synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La0.22 O7 Ti2 Y1.75 -","- La0.2185 O7 Ti2 Y1.7497 -","- La1.748 O56 Ti16 Y13.9976 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","neutron","","TOFneutrons","","","","","","","","","","","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203515","7.76154","0.00025","5.51328","0.00018","13.0011","0.0006","90","","98.597","0.013","90","","550.09","0.04","","","298","","","","101.325","","","","Synthetic","4","P 1 21 1","P 2yb","4","Lanthanum Yttrium Titanate","Lanthanum Yttrium Titanate","","- La1.61 O7 Ti2 Y0.35 -","- La1.6058 O7 Ti2 Y0.3482 -","- La6.4232 O28 Ti8 Y1.3928 -","4","2","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","neutron","","TOF,ISIS,RAL","","","","","","","","","","","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203516","10.13077","0.00005","10.13077","","10.13077","","90","","90","","90","","1039.75","0.005","","","298","","","","101.325","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La0.22 O7 Ti2 Y1.75 -","- La0.2207 O7 Ti2 Y1.7471 -","- La1.7656 O56 Ti16 Y13.9768 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","neutron","","TOF,ISIS,RAL","","","","","","","","","","","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203517","7.7865","0.00022","5.53083","0.00015","13.0051","0.0006","90","","98.617","0.012","90","","553.75","0.04","","","","","","","","","","","Synthetic","4","P 1 21 1","P 2yb","4","Lanthanum Yttrium Titanate","Lanthanum Yttrium Titanate","","- La1.85 O7 Ti2 Y0.15 -","- La1.85 O7 Ti2 Y0.15 -","- La7.4 O28 Ti8 Y0.6 -","4","2","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","1.64","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203518","10.1347","0.0008","10.1347","","10.1347","","90","","90","","90","","1040.96","0.08","","","298","","","","101.325","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La0.23 O7 Ti2 Y1.73 -","- La0.2273 O7 Ti2 Y1.7275 -","- La1.8184 O56 Ti16 Y13.82 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","neutron","","TOF,ISIS,RAL","","","","","","","","","","","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203519","7.80068","0.00021","5.54031","0.00014","13.0072","0.0005","90","","98.633","0.012","90","","555.78","0.03","","","","","","","","","","","Synthetic","4","P 1 21 1","P 2yb","4","Lanthanum Yttrium Titanate","Lanthanum Yttrium Titanate","","- La1.95 O7 Ti2 Y0.05 -","- La1.95 O7 Ti2 Y0.05 -","- La7.8 O28 Ti8 Y0.2 -","4","2","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","1.41","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203520","7.80896","0.0001","5.54608","0.00007","13.01425","0.00022","90","","98.658","0.004","90","","557.213","0.015","","","","","","","","","","","Synthetic","3","P 1 21 1","P 2yb","4","Lanthanum Titanate","Lanthanum Titanate","","- La1.94 O7 Ti2.07 -","- La1.94416 O7 Ti2.07313 -","- La7.77664 O28 Ti8.29252 -","4","2","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","2.19","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203521","10.10199","0.00011","10.10199","","10.10199","","90","","90","","90","","1030.91","0.011","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La0.05 O7 Ti2 Y1.95 -","- La0.05 O7 Ti2 Y1.95 -","- La0.4 O56 Ti16 Y15.6 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","0.8","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203522","10.10484","0.00012","10.10484","","10.10484","","90","","90","","90","","1031.78","0.012","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La0.1 O7 Ti2 Y1.9 -","- La0.1 O7 Ti2 Y1.9 -","- La0.8 O56 Ti16 Y15.2 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","0.79","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203523","10.10901","0.00004","10.10901","","10.10901","","90","","90","","90","","1033.06","0.004","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La0.2 O7 Ti2 Y1.8 -","- La0.2 O7 Ti2 Y1.8 -","- La1.6 O56 Ti16 Y14.4 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","0.79","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203524","10.11306","0.00006","10.11306","","10.11306","","90","","90","","90","","1034.3","0.006","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La0.25 O7 Ti2 Y1.75 -","- La0.25 O7 Ti2 Y1.75 -","- La2 O56 Ti16 Y14 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","0.85","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203525","10.11981","0.00006","10.11981","","10.11981","","90","","90","","90","","1036.38","0.006","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La0.3 O7 Ti2 Y1.7 -","- La0.3 O7 Ti2 Y1.7 -","- La2.4 O56 Ti16 Y13.6 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","0.84","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203526","10.12344","0.00006","10.12344","","10.12344","","90","","90","","90","","1037.49","0.006","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La0.35 O7 Ti2 Y1.65 -","- La0.35 O7 Ti2 Y1.65 -","- La2.8 O56 Ti16 Y13.2 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","0.82","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203527","7.77611","0.00019","5.52192","0.00014","13.0062","0.0004","90","","98.573","0.009","90","","552.23","0.03","","","298","","","","101.325","","","","Synthetic","4","P 1 21 1","P 2yb","4","Lanthanum Yttrium Titanate","Lanthanum Yttrium Titanate","","- La1.65 O7 Ti2 Y0.35 -","- La1.65 O7 Ti2 Y0.35 -","- La6.6 O28 Ti8 Y1.4 -","4","2","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","x-ray","1.54058","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203528","10.1315","0.0004","10.1315","","10.1315","","90","","90","","90","","1039.97","0.04","","","298","","","","101.325","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La1.65 O7 Ti2 Y0.35 -","- La1.65 O7 Ti2 Y0.35 -","- La13.2 O56 Ti16 Y2.8 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","x-ray","1.54058","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203529","7.77648","0.00025","5.52235","0.00018","13.0065","0.0005","90","","98.628","0.007","90","","552.24","0.03","","","298","","","","101.325","","","","Synthetic","4","P 1 21 1","P 2yb","4","Lanthanum Yttrium Titanate","Lanthanum Yttrium Titanate","","- La1.7 O7 Ti2 Y0.3 -","- La1.7 O7 Ti2 Y0.3 -","- La6.8 O28 Ti8 Y1.2 -","4","2","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","x-ray","1.54058","CuKα~1~","","","","","","","","","","0.9","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203530","10.1316","0.0011","10.1316","","10.1316","","90","","90","","90","","1040","0.11","","","298","","","","101.325","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La1.7 O7 Ti2 Y0.3 -","- La1.7 O7 Ti2 Y0.3 -","- La13.6 O56 Ti16 Y2.4 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","x-ray","1.54058","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203531","7.7756","0.0004","5.52257","0.00027","13.0015","0.0007","90","","98.586","0.009","90","","552.04","0.05","","","298","","","","101.325","","","","Synthetic","4","P 1 21 1","P 2yb","4","Lanthanum Yttrium Titanate","Lanthanum Yttrium Titanate","","- La1.75 O7 Ti2 Y0.25 -","- La1.75 O7 Ti2 Y0.25 -","- La7 O28 Ti8 Y -","4","2","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","x-ray","1.54058","CuKα~1~","","","","","","","","","","0.9","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203532","10.1145","0.0024","10.1145","","10.1145","","90","","90","","90","","1034.7","0.2","","","298","","","","101.325","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La1.75 O7 Ti2 Y0.25 -","- La1.75 O7 Ti2 Y0.25 -","- La14 O56 Ti16 Y2 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","x-ray","1.54058","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203533","7.7821","0.0004","5.52664","0.00025","13.0058","0.0007","90","","98.62","0.01","90","","553.05","0.05","","","","","","","","","","","Synthetic","4","P 1 21 1","P 2yb","4","Lanthanum Yttrium Titanate","Lanthanum Yttrium Titanate","","- La1.8 O7 Ti2 Y0.2 -","- La1.8 O7 Ti2 Y0.2 -","- La7.2 O28 Ti8 Y0.8 -","4","2","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","0.88","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203534","7.7889","0.0004","5.53193","0.00026","13.0091","0.0009","90","","98.649","0.019","90","","554.16","0.06","","","","","","","","","","","Synthetic","4","P 1 21 1","P 2yb","4","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La1.85 O7 Ti2 Y0.15 -","- La1.85 O7 Ti2 Y0.15 -","- La7.4 O28 Ti8 Y0.6 -","4","2","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","0.85","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203535","7.7953","0.0004","5.53702","0.00028","13.0114","0.0009","90","","98.626","0.018","90","","555.25","0.06","","","","","","","","","","","Synthetic","4","P 1 21 1","P 2yb","4","Lanthanum Yttrium Titanate","Lanthanum Yttrium Titanate","","- La1.95 O7 Ti2 Y0.05 -","- La1.95 O7 Ti2 Y0.05 -","- La7.8 O28 Ti8 Y0.2 -","4","2","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","0.85","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203537","11.125","0.002","16.094","0.01","18.37","0.009","77.92","0.05","87.2","0.02","89.6","0.03","3212","3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H40 F5 N O4 Pd -","- C32 H40 F5 N O4 Pd -","- C128 H160 F20 N4 O16 Pd4 -","4","2","","Viorel Cîrcu; Timothy J. K. Gibbs; Laurent Omnès; Peter N. Horton; Michael B. Hursthouse; Duncan W. Bruce","Orthometallated palladium(<small>II</small>) imine complexes as candidate materials for the biaxial nematic phase. Crystal and molecular structure of three palladium imine complexes","Journal of Materials Chemistry","2006","16","44","4316","","10.1039/b608823f","","","0.71073","MoKα","","0.2395","0.1328","","","0.3342","0.387","","","","","","1.144","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203538","7.2597","0.0003","16.848","0.002","27.261","0.003","90","","90","","90","","3334.3","0.6","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H44 F N O3 Pd -","- C40 H44 F N O3 Pd -","- C160 H176 F4 N4 O12 Pd4 -","4","1","","Viorel Cîrcu; Timothy J. K. Gibbs; Laurent Omnès; Peter N. Horton; Michael B. Hursthouse; Duncan W. Bruce","Orthometallated palladium(<small>II</small>) imine complexes as candidate materials for the biaxial nematic phase. Crystal and molecular structure of three palladium imine complexes","Journal of Materials Chemistry","2006","16","44","4316","","10.1039/b608823f","","","0.71073","MoKα","","0.0258","0.0232","","","0.0528","0.0537","","","","","","1.039","","","","has coordinates,has disorder","301863","2025-08-22","13:06:29",""
"7203539","17.801","0.004","16.966","0.003","22.192","0.005","90","","98.646","0.013","90","","6626","2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H45 N O2 Pd -","- C40 H45 N O2 Pd -","- C320 H360 N8 O16 Pd8 -","8","2","","Viorel Cîrcu; Timothy J. K. Gibbs; Laurent Omnès; Peter N. Horton; Michael B. Hursthouse; Duncan W. Bruce","Orthometallated palladium(<small>II</small>) imine complexes as candidate materials for the biaxial nematic phase. Crystal and molecular structure of three palladium imine complexes","Journal of Materials Chemistry","2006","16","44","4316","","10.1039/b608823f","","","0.71073","MoKα","","0.1037","0.0464","","","0.0942","0.1144","","","","","","0.999","","","","has coordinates,has disorder","301863","2025-08-22","13:06:29",""
"7203564","7.2721","0.001","7.2721","0.001","23.632","0.005","90","","90","","90","","1249.7","0.4","150","0.2","150","0.2","","","","","","","","6","I 41/a m d :2","-I 4bd 2","141","Tetramethylammonium Uranium oxide fluoride","Tetramethylammonium Uranium oxide fluoride","","- C4 H12 F5 N O4 U2 -","- C4 H12 F5 N O4 U2 -","- C16 H48 F20 N4 O16 U8 -","4","0.125","","Ok, Kang Min; Doran, Michael B.; O'Hare, Dermot","[N(CH3)4][(UO2)2F5]: A new organically templated open-framework uranium oxide fluoride (MUF-2)","Journal of Materials Chemistry","2006","16","33","3366","","10.1039/b609525a","","","0.71073","MoKα","","0.0316","0.0209","","","0.0436","0.0465","","","","","","1.007","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203565","7.767","0.0016","16.964","0.003","11.255","0.002","90","","105.98","0.03","90","","1425.6","0.5","150","0.2","150","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tetramethylammonium uranium oxide nitrate","Tetramethylammonium uranium oxide nitrate","","- C4 H12 N4 O11 U -","- C4 H12 N4 O11 U -","- C16 H48 N16 O44 U4 -","4","1","","Ok, Kang Min; Doran, Michael B.; O'Hare, Dermot","[N(CH3)4][(UO2)2F5]: A new organically templated open-framework uranium oxide fluoride (MUF-2)","Journal of Materials Chemistry","2006","16","33","3366","","10.1039/b609525a","","","0.71073","MoKα","","0.0502","0.0296","","","0.0585","0.0655","","","","","","0.89","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203580","12.627","0.004","19.833","0.006","11.46","0.004","90","","96.049","0.004","90","","2854","1.6","143.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3,5-bis(1-oxyl-3-oxide-4,4,5,5-tetramethyl-2-imidazolin-2-yl) -1-methyl-pyridinium trifluoromethanesulfonate","3,5-bis(1-oxyl-3-oxide-4,4,5,5-tetramethyl-2-imidazolin-2-yl) -1-methyl-pyridinium trifluoromethanesulfonate","","- C21 H30 F3 N5 O7 S -","- C21 H30 F3 N5 O7 S -","- C84 H120 F12 N20 O28 S4 -","4","1","","Hayakawa, Kenichi; Shiomi, Daisuke; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji","Pyridine-substituted nitronyl nitroxide biradicals: a triplet (S = 1) ground state lasting out N-methylation","Journal of Materials Chemistry","2006","16","42","4146","","10.1039/b609760j","","","0.7107","MoKα","","","0.0988","","","","0.1284","","","","","","1.236","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203581","11.275","0.004","11.242","0.004","17.688","0.006","108.566","0.003","110.869","0.003","89.344","0.003","1972.7","1.2","143.1","","","","","","","","","","","4","P -1","-P 1","2","3,5-bis(1-oxyl-3-oxide-4,4,5,5-tetramethyl-2-imidazolin-2- yl)pyridine","3,5-bis(1-oxyl-3-oxide-4,4,5,5-tetramethyl-2-imidazolin-2-yl)pyridine","","- C19 H27 N5 O4 -","- C19 H27 N5 O4 -","- C76 H108 N20 O16 -","4","2","","Hayakawa, Kenichi; Shiomi, Daisuke; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji","Pyridine-substituted nitronyl nitroxide biradicals: a triplet (S = 1) ground state lasting out N-methylation","Journal of Materials Chemistry","2006","16","42","4146","","10.1039/b609760j","","","0.7107","MoKα","","","0.0665","","","","0.0852","","","","","","1.144","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203599","8.4494","0.0017","4.7836","0.001","15.767","0.003","90","","99.491","0.003","90","","628.6","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Al F H4 O8 P2 -","- Al F H4 O8 P2 -","- Al4 F4 H16 O32 P8 -","4","1","","Parnham, Emily R.; Morris, Russell E.","Ionothermal synthesis using a hydrophobic ionic liquid as solvent in the preparation of a novel aluminophosphate chain structure","Journal of Materials Chemistry","2006","16","37","3682","","10.1039/b610774e","","","0.6999","synchrotron","","0.0706","0.055","","","0.1263","0.1376","","","","","","1.038","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203600","7.667","0.0008","13.7182","0.0013","11.7334","0.0008","90","","99.379","0.007","90","","1217.59","0.19","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N2 O4 -","- C30 H28 N2 O4 -","- C60 H56 N4 O8 -","2","0.5","","Berner, D.; Klein, C.; Nazeeruddin, Md. K.; De Angelis, Filippo; Castellani, M.; Bugnon, Ph.; Scopelliti, R.; Zuppiroli, L.; Graetzel, M.","Efficient blue light-emitting diodes based on a classical ?push?pull? architecture molecule 4,4?-di-(2-(2,5-dimethoxyphenyl)ethenyl)-2,2?-bipyridine","Journal of Materials Chemistry","2006","16","46","4468","","10.1039/b610880f","","","0.71073","MoKα","","0.0873","0.0349","","","0.063","0.074","","","","","","0.865","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203601","20.3226","0.0018","20.3226","0.0018","7.2569","0.0013","90","","90","","120","","2595.6","0.6","293","","293","","","","","","","","","8","P 63/m c m","-P 6c 2","193","","","","- C25.2 H8.4 Cl2.4 F8 I6 N6 P1.33 Se12 -","- C25.2 H6 Cl2.4 F7.95 I6 N6 P1.34 Se12 -","- C50.4 H12 Cl4.8 F15.9 I12 N12 P2.68 Se24 -","2","0.0833333","","Imakubo, Tatsuro; Kibune, Megumi; Yoshino, Hiroko; Shirahata, Takashi; Yoza, Kenji","Hexagonal supramolecular organic conductors based on diiodo(pyrazino)tetraselenafulvalene: high yield recovery of the neutral ?-donor by a simple chemical reaction","Journal of Materials Chemistry","2006","16","42","4110","","10.1039/b611010j","","","0.71073","MoKα","","0.0404","0.0352","","","0.0999","0.1018","","","","","","1.132","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203602","20.3703","0.0017","20.3703","0.0017","7.2558","0.0012","90","","90","","120","","2607.4","0.5","293","","293","","","","","","","","","8","P 63/m c m","-P 6c 2","193","","","","- C25.2 H8.4 As1.33 Cl2.4 F8 I6 N6 Se12 -","- C25.2 H6 As1.34 Cl2.4 F7.95 I6 N6 Se12 -","- C50.4 H12 As2.68 Cl4.8 F15.9 I12 N12 Se24 -","2","0.0833333","","Imakubo, Tatsuro; Kibune, Megumi; Yoshino, Hiroko; Shirahata, Takashi; Yoza, Kenji","Hexagonal supramolecular organic conductors based on diiodo(pyrazino)tetraselenafulvalene: high yield recovery of the neutral ?-donor by a simple chemical reaction","Journal of Materials Chemistry","2006","16","42","4110","","10.1039/b611010j","","","0.71073","MoKα","","0.0464","0.0344","","","0.0891","0.117","","","","","","1.08","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203603","20.4542","0.0017","20.4542","0.0017","7.2485","0.0013","90","","90","","120","","2626.3","0.6","293","","293","","","","","","","","","8","P 63/m c m","-P 6c 2","193","","","","- C25.2 H8.4 Cl2.4 F8 I6 N6 Sb1.33 Se12 -","- C25.2 H6 Cl2.4 F7.95 I6 N6 Sb1.34 Se12 -","- C50.4 H12 Cl4.8 F15.9 I12 N12 Sb2.68 Se24 -","2","0.0833333","","Imakubo, Tatsuro; Kibune, Megumi; Yoshino, Hiroko; Shirahata, Takashi; Yoza, Kenji","Hexagonal supramolecular organic conductors based on diiodo(pyrazino)tetraselenafulvalene: high yield recovery of the neutral ?-donor by a simple chemical reaction","Journal of Materials Chemistry","2006","16","42","4110","","10.1039/b611010j","","","0.71073","MoKα","","0.059","0.0426","","","0.1004","0.1285","","","","","","1.02","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203620","16.696","0.0009","15.165","0.0008","24.3472","0.0013","90","","98.486","0.001","90","","6097.1","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","bis(kappa$2!(C$2!,N)-2-phenylpyridine)(kappa$2!(N,O)-5,7- dibromo-8-quinolinolate)iridium(iii) diethylether solvate","bis(κ^2^(C^2^,N)-2-phenylpyridine)(κ^2^(N,O)-5,7-dibromo-8- quinolinolate)iridium(III) diethylether solvate","","- C35 H30 Br2 Ir N3 O2 -","- C34.144 H27.86 Br2 Ir N3 O1.786 -","- C273.152 H222.88 Br16 Ir8 N24 O14.288 -","8","2","","Kappaun, Stefan; Eder, Sabrina; Sax, Stefan; Saf, Robert; Mereiter, Kurt; List, Emil J. W.; Slugovc, Christian","WPLEDs prepared from main-chain fluorene?iridium(iii) polymers","Journal of Materials Chemistry","2006","16","45","4389","","10.1039/b611738d","","","0.71073","MoKα","","0.054","0.0359","","","0.0776","0.0857","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203621","16.8813","0.001","9.6871","0.0006","20.1273","0.0011","90","","105.117","0.001","90","","3177.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(kappa$2!(C$2!,N)-2-phenylpyridine)(kappa$2!(N,O)-5,7- diphenyl-8-quinolinolate)iridium(iii)","bis(κ^2^(C^2^,N)-2-phenylpyridine)(κ^2^(N,O)-5,7-diphenyl-8- quinolinolate)iridium(III)","","- C43 H30 Ir N3 O -","- C43 H30 Ir N3 O -","- C172 H120 Ir4 N12 O4 -","4","1","","Kappaun, Stefan; Eder, Sabrina; Sax, Stefan; Saf, Robert; Mereiter, Kurt; List, Emil J. W.; Slugovc, Christian","WPLEDs prepared from main-chain fluorene?iridium(iii) polymers","Journal of Materials Chemistry","2006","16","45","4389","","10.1039/b611738d","","","0.71073","MoKα","","0.0297","0.0223","","","0.0485","0.0514","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213546","18.6421","0.0019","18.6421","0.0019","18.6421","0.0019","90","","90","","90","","6478.6","1.1","293","2","293","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","catena-(tetra(μ~8~-(5,5',5'',5'''-(adamantane-1,3,5,7-tetrayl)- -tetrakistetrazolato))- -bis(μ~4~-chloro)-octa(N,N-dimethylformamide)-nona-copper(II), dimethylformamide solvate","","- C83 H111 Cl2 Cu9 N73 O9 -","- C83.2 H48 Cl2 Cu9 N73.44 O10 -","- C166.4 H96 Cl4 Cu18 N146.88 O20 -","2","0.0104167","","Boldog, Ishtvan; Domasevitch, Konstantin; Maclaren, Jana K.; Heering, Christian; Makhloufi, Gamall; Janiak, Christoph","A fluorite isoreticular series of porous framework complexes with tetrahedral ligands: new opportunities for azolate PCPs","CrystEngComm","2014","16","2","148","","10.1039/c3ce42162g","","","1.5418","CuKα","","0.0637","0.0629","","","0.1674","0.1682","","","","","","1.109","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213547","18.9532","0.0003","18.9532","0.0003","31.3238","0.0012","90","","90","","90","","11252.3","0.5","100","2","100","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","catena-(bis(μ~8~-(5,5',5'',5'''-((adamantane-1,3,5,7-tetrayl)- -tetra-(phen-4-yl))-tetrakistetrazolato))- -(μ~4~-chloro)-trichloro-tetra-(N,N-dimethylacetamide)- hexa-copper(ii), dimethylacetamide, methanol and water solvate","","- C76 H56 Cl4 Cu6 N32 -","- C76 H56 Cl4 Cu6 N32 O4 -","- C152 H112 Cl8 Cu12 N64 O8 -","2","0.0625","","Boldog, Ishtvan; Domasevitch, Konstantin; Maclaren, Jana K.; Heering, Christian; Makhloufi, Gamall; Janiak, Christoph","A fluorite isoreticular series of porous framework complexes with tetrahedral ligands: new opportunities for azolate PCPs","CrystEngComm","2014","16","2","148","","10.1039/c3ce42162g","","","0.71073","MoKα","","0.0732","0.055","","","0.1568","0.1673","","","","","","1.088","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213548","19.7788","0.0005","19.7788","0.0005","31.6321","0.0007","90","","90","","90","","12374.5","0.5","220","2","220","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","catena-(bis(μ~8~-(5,5',5'',5'''-((adamantane-1,3,5,7-tetrayl)- -tetra-(phen-4-yl))-tetrakistetrazolato))- -(μ~4~-chloro)-tri-(chloro)-hexa-(N,N-dimethylformamide)- hexa-cadmium(ii), dimethylformamide and water solvate","","- C76 H56 Cd6 Cl4 N32 -","- C76 H56 Cd6 Cl4 N32 O6 -","- C152 H112 Cd12 Cl8 N64 O12 -","2","0.0625","","Boldog, Ishtvan; Domasevitch, Konstantin; Maclaren, Jana K.; Heering, Christian; Makhloufi, Gamall; Janiak, Christoph","A fluorite isoreticular series of porous framework complexes with tetrahedral ligands: new opportunities for azolate PCPs","CrystEngComm","2014","16","2","148","","10.1039/c3ce42162g","","","0.71073","MoKα","","0.0536","0.0414","","","0.1185","0.1228","","","","","","0.972","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213549","6.0892","0.0007","6.5384","0.0007","16.9014","0.0018","80.756","0.002","84.572","0.002","62.398","0.002","588.42","0.11","115","2","115","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H15 O2 -","- C15 H15 O2 -","- C30 H30 O4 -","2","1","","Iwase, Noriaki; Shigeno, Yuta; Wakabayashi, Takashi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Molecular recognition of a large bisphenol A derivative, α,α′-bis(4-hydroxyphenyl)-1,4-diisopropylbenzene, using p-benzoquinone derivatives","CrystEngComm","2014","16","2","159","","10.1039/c3ce41432a","","","0.71073","MoKα","","0.0602","0.0485","","","0.1204","0.1279","","","","","","1.037","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213550","6.5163","0.0004","29.4058","0.0019","11.3547","0.0007","90","","90.999","0.001","90","","2175.4","0.2","115","2","115","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 O3 -","- C28 H30 O3 -","- C112 H120 O12 -","4","1","","Iwase, Noriaki; Shigeno, Yuta; Wakabayashi, Takashi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Molecular recognition of a large bisphenol A derivative, α,α′-bis(4-hydroxyphenyl)-1,4-diisopropylbenzene, using p-benzoquinone derivatives","CrystEngComm","2014","16","2","159","","10.1039/c3ce41432a","","","0.71073","MoKα","","0.0804","0.0559","","","0.1194","0.1298","","","","","","1.034","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213551","6.5284","0.0005","29.274","0.002","11.3182","0.0008","90","","91.019","0.001","90","","2162.7","0.3","115","2","115","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27.5 H28.5 Cl0.5 O3 -","- C27.5 H28.5 Cl0.5 O3 -","- C110 H114 Cl2 O12 -","4","1","","Iwase, Noriaki; Shigeno, Yuta; Wakabayashi, Takashi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Molecular recognition of a large bisphenol A derivative, α,α′-bis(4-hydroxyphenyl)-1,4-diisopropylbenzene, using p-benzoquinone derivatives","CrystEngComm","2014","16","2","159","","10.1039/c3ce41432a","","","0.71073","MoKα","","0.0857","0.0639","","","0.1277","0.1368","","","","","","1.089","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213552","17.278","0.002","17.861","0.002","18.092","0.002","82.207","0.005","71.356","0.005","66.625","0.004","4855.8","1","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H234 Cd2 Ce4 Cl14 N66 O107 -","- C96 H96 Cd2 Ce4 Cl14 N66 O62 -","- C96 H96 Cd2 Ce4 Cl14 N66 O62 -","1","0.5","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.0979","0.0679","","","0.1885","0.2087","","","","","","0.969","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213553","17.1436","0.0006","18.0998","0.0006","18.3169","0.0006","84.896","0.001","65.733","0.001","71.546","0.001","4909.4","0.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H240 Cd2 Cl14 N66 Nd4 O110 -","- C96 H96 Cd2 Cl14 N66 Nd4 O62 -","- C96 H96 Cd2 Cl14 N66 Nd4 O62 -","1","0.5","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.0777","0.0594","","","0.176","0.1934","","","","","","1.031","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213554","17.0632","0.001","18.0202","0.001","18.284","0.001","84.728","0.002","65.772","0.002","71.667","0.002","4862.1","0.5","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H250 Cd2 Cl14 N66 O115 Sm4 -","- C96 H96 Cd2 Cl14 N66 O62 Sm4 -","- C96 H96 Cd2 Cl14 N66 O62 Sm4 -","1","0.5","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.0878","0.0687","","","0.2066","0.2254","","","","","","1.126","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213555","17.0389","0.0017","17.9558","0.0017","18.3397","0.0019","84.823","0.004","65.727","0.004","71.616","0.004","4848.9","0.9","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H284 Cd2 Cl14 Eu4 N66 O132 -","- C96 H96 Cd2 Cl14 Eu4 N66 O62 -","- C96 H96 Cd2 Cl14 Eu4 N66 O62 -","1","0.5","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.1313","0.1102","","","0.3205","0.3432","","","","","","1.251","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213556","28.3249","0.0019","28.3249","0.0019","21.949","0.003","90","","90","","90","","17610","3","223","2","223","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C96 H229 Cl4 Gd N64 O98 -","- C96 H96 Cl4 Gd N64 O36 -","- C384 H384 Cl16 Gd4 N256 O144 -","4","0.25","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.125","0.0894","","","0.2683","0.2925","","","","","","1.055","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213557","28.3123","0.0019","28.3123","0.0019","21.934","0.003","90","","90","","90","","17582","3","223","2","223","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C96 H235 Cl4 N64 O101 Tb -","- C96 H96 Cl4 N64 O36 Tb -","- C384 H384 Cl16 N256 O144 Tb4 -","4","0.25","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.1109","0.0791","","","0.2312","0.2506","","","","","","1.038","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213558","28.464","0.004","28.464","0.004","21.992","0.003","90","","90","","90","","17818","4","223","2","223","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C96 H239 Cl4 Ho N64 O103 -","- C96 H96 Cl4 Ho N64 O36 -","- C384 H384 Cl16 Ho4 N256 O144 -","4","0.25","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.1202","0.0832","","","0.2333","0.2562","","","","","","0.992","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213559","28.44","0.003","28.44","0.003","22.01","0.005","90","","90","","90","","17802","5","223","2","223","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C96 H241 Cl4 Er N64 O104 -","- C96 H96 Cl4 Er0.9998 N64 O36 -","- C384 H384 Cl16 Er3.9992 N256 O144 -","4","0.25","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.1363","0.0752","","","0.2098","0.2323","","","","","","0.944","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213560","28.4011","0.0018","28.4011","0.0018","21.939","0.003","90","","90","","90","","17696","3","223","2","223","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C96 H247 Cl4 N64 O107 Tm -","- C96 H96 Cl4 N64 O36 Tm -","- C384 H384 Cl16 N256 O144 Tm4 -","4","0.25","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.148","0.088","","","0.2448","0.2711","","","","","","0.967","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213561","28.388","0.003","28.388","0.003","22.036","0.005","90","","90","","90","","17758","5","223","2","223","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C96 H237 Cl4 N64 O102 Yb -","- C96 H96 Cl4 N64 O36 Yb -","- C384 H384 Cl16 N256 O144 Yb4 -","4","0.25","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.1579","0.0893","","","0.2612","0.2945","","","","","","0.948","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213562","28.3363","0.0019","28.3363","0.0019","21.928","0.003","90","","90","","90","","17607","3","223","2","223","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C96 H241 Cl3.5 Lu N64 O104 -","- C96 H96 Cl4 Lu N64 O36 -","- C384 H384 Cl16 Lu4 N256 O144 -","4","0.25","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.1176","0.0775","","","0.2289","0.2475","","","","","","1.027","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213563","22.228","0.008","8.878","0.003","17.393","0.005","86.265","0.014","82.354","0.014","79.121","0.011","3337.9","1.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis[di(2-pyridylmethyl)aminecopper(II)]-(μ~2~-1,2-bis(4-pyridyl)ethane) Tetraperchlorate Dihydrate","","- C36 H42 Cl4 Cu2 N8 O18 -","- C36 H38 Cl4 Cu2 N8 O18 -","- C108 H114 Cl12 Cu6 N24 O54 -","3","1.5","","Massoud, Salah S.; Taylor, Eric; Liu, Yuemin; Grebowicz, Janusz; Vicente, Ramon; Lalancette, Roger; Mukhopadhyay, Udai; Bernal, Ivan; Watkins, Steven F.","Synthesis, structure, thermal, magnetic properties and quantum mechanical calculations of bridged [bis(di(2-methylpyridyl)amine)-(μ2-1,2-bis(4-pyridyl)ethane)-tetraperchlorato-dicopper(ii)] dihydrate complex","CrystEngComm","2014","16","2","175","","10.1039/c3ce41821a","","x-ray","0.7107","MoKα","","","0.0771","","","","0.2206","","","","","","1.047","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213564","8.529","0.004","8.617","0.004","17.434","0.011","86.31","0.04","81.71","0.03","62.9","0.02","1128.7","1.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Bis[di(2-pyridylmethyl)aminecopper(II)]-(μ~2~-1,2-bis(4-pyridyl)ethane) Tetraperchlorate Dihydrate","","- C36 H42 Cl4 Cu2 N8 O18 -","- C36 H38 Cl4 Cu2 N8 O18 -","- C36 H38 Cl4 Cu2 N8 O18 -","1","0.5","","Massoud, Salah S.; Taylor, Eric; Liu, Yuemin; Grebowicz, Janusz; Vicente, Ramon; Lalancette, Roger; Mukhopadhyay, Udai; Bernal, Ivan; Watkins, Steven F.","Synthesis, structure, thermal, magnetic properties and quantum mechanical calculations of bridged [bis(di(2-methylpyridyl)amine)-(μ2-1,2-bis(4-pyridyl)ethane)-tetraperchlorato-dicopper(ii)] dihydrate complex","CrystEngComm","2014","16","2","175","","10.1039/c3ce41821a","","x-ray","0.7107","MoKα","","","0.0904","","","","0.2443","","","","","","1.071","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213565","8.569","0.003","8.666","0.003","17.564","0.007","87.05","0.02","82","0.02","62.917","0.013","1149.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis[di(2-pyridylmethyl)aminecopper(II)]-(μ~2~-1,2-bis(4-pyridyl)ethane) Tetraperchlorate Dihydrate","","- C36 H42 Cl4 Cu2 N8 O18 -","- C36 H38 Cl4 Cu2 N8 O18 -","- C36 H38 Cl4 Cu2 N8 O18 -","1","0.5","","Massoud, Salah S.; Taylor, Eric; Liu, Yuemin; Grebowicz, Janusz; Vicente, Ramon; Lalancette, Roger; Mukhopadhyay, Udai; Bernal, Ivan; Watkins, Steven F.","Synthesis, structure, thermal, magnetic properties and quantum mechanical calculations of bridged [bis(di(2-methylpyridyl)amine)-(μ2-1,2-bis(4-pyridyl)ethane)-tetraperchlorato-dicopper(ii)] dihydrate complex","CrystEngComm","2014","16","2","175","","10.1039/c3ce41821a","","x-ray","0.7107","MoKα","","","0.0484","","","","0.1261","","","","","","1.065","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213566","4.26162","0.00009","12.71748","0.00028","13.95174","0.00031","90","","98.2979","0.0009","90","","748.23","0.03","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 Br D5 I N -","- C5 Br D5 I N -","- C20 Br4 D20 I4 N4 -","4","1","","Jones, Richard H.; Knight, Kevin S.; Marshall, William G.; Clews, John; Darton, Richard J.; Pyatt, Daniel; Coles, Simon J.; Horton, Peter N.","Colossal thermal expansion and negative thermal expansion in simple halogen bonded complexes","CrystEngComm","2014","16","2","237","","10.1039/c3ce41909f","powder diffraction","neutron","","neutron","","","","","","","","0.09156","","2.88","","","","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213567","4.2564","0.0001","12.7251","0.0004","13.9443","0.0003","90","","98.358","0.002","90","","747.25","0.03","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Br I N -","- C5 H5 Br I N -","- C20 H20 Br4 I4 N4 -","4","1","","Jones, Richard H.; Knight, Kevin S.; Marshall, William G.; Clews, John; Darton, Richard J.; Pyatt, Daniel; Coles, Simon J.; Horton, Peter N.","Colossal thermal expansion and negative thermal expansion in simple halogen bonded complexes","CrystEngComm","2014","16","2","237","","10.1039/c3ce41909f","","","0.71073","MoKα","","0.0267","0.0251","","0.0647","0.0642","0.0647","","","","","","0.9808","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213568","4.3813","0.0002","12.6339","0.0005","14.1942","0.0004","90","","97.706","0.002","90","","778.59","0.05","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Br I N -","- C5 H5 Br I N -","- C20 H20 Br4 I4 N4 -","4","1","","Jones, Richard H.; Knight, Kevin S.; Marshall, William G.; Clews, John; Darton, Richard J.; Pyatt, Daniel; Coles, Simon J.; Horton, Peter N.","Colossal thermal expansion and negative thermal expansion in simple halogen bonded complexes","CrystEngComm","2014","16","2","237","","10.1039/c3ce41909f","","","0.71073","MoKα","","0.0455","0.0363","","0.1079","0.1009","0.1079","","","","","","1.0417","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213569","4.1628","0.0002","12.3376","0.0007","13.9514","0.0007","90","","95.073","0.004","90","","713.72","0.06","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Cl I N -","- C5 H5 Cl I N -","- C20 H20 Cl4 I4 N4 -","4","1","","Jones, Richard H.; Knight, Kevin S.; Marshall, William G.; Clews, John; Darton, Richard J.; Pyatt, Daniel; Coles, Simon J.; Horton, Peter N.","Colossal thermal expansion and negative thermal expansion in simple halogen bonded complexes","CrystEngComm","2014","16","2","237","","10.1039/c3ce41909f","","","0.71073","MoKα","","0.027","0.0243","","0.0486","0.046","0.0486","","","","","","1.0147","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213570","4.2746","0.0002","12.3214","0.0008","14.1019","0.0008","90","","94.883","0.004","90","","740.04","0.07","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Cl I N -","- C5 H5 Cl I N -","- C20 H20 Cl4 I4 N4 -","4","1","","Jones, Richard H.; Knight, Kevin S.; Marshall, William G.; Clews, John; Darton, Richard J.; Pyatt, Daniel; Coles, Simon J.; Horton, Peter N.","Colossal thermal expansion and negative thermal expansion in simple halogen bonded complexes","CrystEngComm","2014","16","2","237","","10.1039/c3ce41909f","","","0.71073","MoKα","","0.0399","0.032","","0.0537","0.0482","0.0537","","","","","","1.0139","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213571","11.642","0.0009","4.6349","0.0004","18.8292","0.0018","90","","95.453","0.005","90","","1011.42","0.15","91","2","91","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(2-methoxybenzyl)-1,3,4-thiadiazole-2(3H)-thione","","- C10 H10 N2 O2 S -","- C10 H10 N2 O2 S -","- C40 H40 N8 O8 S4 -","4","1","","Khan, Imtiaz; Ibrar, Aliya; Simpson, Jim","Similarities and differences in the crystal packing of methoxybenzyl and methoxyphenylethyl-1,3,4-oxadiazole-2(3H)-thiones","CrystEngComm","2014","16","2","164","","10.1039/c3ce42000k","","","0.71073","MoKα","","0.0457","0.0335","","","0.0736","0.0795","","","","","","1.049","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213572","8.6916","0.0007","13.2144","0.0011","8.9458","0.0007","90","","93.96","0.004","90","","1025.01","0.14","91","2","91","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(3-methoxybenzyl)-1,3,4-thiadiazole-2(3H)-thione","","- C10 H10 N2 O2 S -","- C10 H10 N2 O2 S -","- C40 H40 N8 O8 S4 -","4","1","","Khan, Imtiaz; Ibrar, Aliya; Simpson, Jim","Similarities and differences in the crystal packing of methoxybenzyl and methoxyphenylethyl-1,3,4-oxadiazole-2(3H)-thiones","CrystEngComm","2014","16","2","164","","10.1039/c3ce42000k","","","0.71073","MoKα","","0.0479","0.0398","","","0.0938","0.0993","","","","","","1.052","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213573","7.5365","0.0003","5.5019","0.0003","24.9737","0.0012","90","","92.956","0.002","90","","1034.16","0.09","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(4-methoxybenzyl)-1,3,4-thiadiazole-2(3H)-thione","","- C10 H10 N2 O2 S -","- C10 H10 N2 O2 S -","- C40 H40 N8 O8 S4 -","4","1","","Khan, Imtiaz; Ibrar, Aliya; Simpson, Jim","Similarities and differences in the crystal packing of methoxybenzyl and methoxyphenylethyl-1,3,4-oxadiazole-2(3H)-thiones","CrystEngComm","2014","16","2","164","","10.1039/c3ce42000k","","","0.71073","MoKα","","0.0423","0.0364","","","0.0889","0.0933","","","","","","1.046","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213574","9.8668","0.0008","6.9888","0.0006","16.1978","0.0013","90","","98.855","0.004","90","","1103.64","0.16","92","2","92","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(2-methoxyphenethyl)-1,3,4-thiadiazole-2(3H)-thione","","- C11 H12 N2 O2 S -","- C11 H12 N2 O2 S -","- C44 H48 N8 O8 S4 -","4","1","","Khan, Imtiaz; Ibrar, Aliya; Simpson, Jim","Similarities and differences in the crystal packing of methoxybenzyl and methoxyphenylethyl-1,3,4-oxadiazole-2(3H)-thiones","CrystEngComm","2014","16","2","164","","10.1039/c3ce42000k","","","0.71073","MoKα","","0.0407","0.0335","","","0.0876","0.0924","","","","","","1.072","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213575","7.8075","0.0008","11.2905","0.0013","13.2898","0.0018","88.359","0.007","80.741","0.006","73.514","0.006","1108.5","0.2","92","2","92","2","","","","","","","","5","P -1","-P 1","2","","5-(4-methoxyphenethyl)-1,3,4-thiadiazole-2(3H)-thione","","- C11 H12 N2 O2 S -","- C11 H12 N2 O2 S -","- C44 H48 N8 O8 S4 -","4","2","","Khan, Imtiaz; Ibrar, Aliya; Simpson, Jim","Similarities and differences in the crystal packing of methoxybenzyl and methoxyphenylethyl-1,3,4-oxadiazole-2(3H)-thiones","CrystEngComm","2014","16","2","164","","10.1039/c3ce42000k","","","0.71073","MoKα","","0.0788","0.0566","","","0.1502","0.1733","","","","","","1.051","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213576","11.4959","0.0007","19.4686","0.0012","18.3104","0.0011","90","","105.464","0.001","90","","3949.7","0.4","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 Mo5 N6 O22 P2 -","- C28 H32 Mo5 N6 O22 P2 -","- C112 H128 Mo20 N24 O88 P8 -","4","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0165","0.0154","","","0.0394","0.0401","","","","","","0.93","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213577","11.1778","0.0007","11.1778","0.0007","27.641","0.0017","90","","90","","120","","2990.9","0.3","90","2","90","2","","","","","","","","6","P 32","P 32","145","","","","- C28 H30 Mo5 N6 O21 P2 -","- C28 H30 Mo5 N6 O21 P2 -","- C84 H90 Mo15 N18 O63 P6 -","3","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.035","0.0338","","","0.0902","0.0908","","","","","","1.049","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213578","23.327","0.003","21.115","0.003","9.7462","0.0014","90","","90","","90","","4800.5","1.1","90","2","90","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C38 H35 Co Mo5 N6 O23 P2 -","- C38 H32 Co Mo5 N6 O23 P2 -","- C152 H128 Co4 Mo20 N24 O92 P8 -","4","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0494","0.0395","","","0.0864","0.0903","","","","","","1.03","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213579","14.574","0.003","17.358","0.003","20.413","0.004","90","","90","","90","","5164","1.7","90","2","90","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H47 Co Mo5 N6 O28 P2 -","- C38 H44 Co Mo5 N6 O28 P2 -","- C152 H176 Co4 Mo20 N24 O112 P8 -","4","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0478","0.0377","","","0.0735","0.0766","","","","","","0.973","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213580","13.0366","0.0013","13.0703","0.0013","20.989","0.002","76.271","0.003","85.514","0.003","60.541","0.003","3021.9","0.5","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H52 Cu2 Mo5 N8 O27 P2 -","- C48 H46 Cu2 Mo5 N8 O24 P2 -","- C96 H92 Cu4 Mo10 N16 O48 P4 -","2","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0678","0.0457","","","0.1376","0.1533","","","","","","1.041","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213581","13.4404","0.0014","21.237","0.002","18.1894","0.0014","90","","118.357","0.006","90","","4568.9","0.8","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Cu2 Mo5 N4 O29 P2 -","- C32 H40 Cu2 Mo5 N4 O29 P2 -","- C128 H160 Cu8 Mo20 N16 O116 P8 -","4","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0505","0.035","","","0.0743","0.0822","","","","","","1.108","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213582","53.884","0.003","9.5839","0.0005","18.7832","0.0009","90","","91.589","0.001","90","","9696.3","0.9","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 Cu2 Mo5 N4 O26 P3 -","- C36 H34 Cu2 Mo5 N4 O26 P3 -","- C288 H272 Cu16 Mo40 N32 O208 P24 -","8","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0476","0.0317","","","0.062","0.0661","","","","","","1.033","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213583","15.6642","0.0011","17.0366","0.0013","18.1045","0.0013","90","","110.366","0.001","90","","4529.4","0.6","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 Mo5 N4 Ni O29 P2 -","- C28 H42 Mo5 N4 Ni O29 P2 -","- C112 H168 Mo20 N16 Ni4 O116 P8 -","4","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0229","0.0183","","","0.0428","0.0448","","","","","","1.031","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213584","14.3824","0.0013","23.955","0.002","20.6777","0.0019","90","","100.325","0.002","90","","7008.7","1.1","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H58 Mo6 N12 Ni2 O33 P2 -","- C56 H56 Mo6 N12 Ni2 O33 P2 -","- C224 H224 Mo24 N48 Ni8 O132 P8 -","4","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0909","0.0487","","","0.0981","0.1154","","","","","","0.943","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213585","24.135","0.004","11.8418","0.0018","20.308","0.003","90","","112.14","0.004","90","","5376.1","1.5","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 Mo2 N3 Ni O15 P2 -","- C20 H22 Mo2 N3 Ni O15 P2 -","- C160 H176 Mo16 N24 Ni8 O120 P16 -","8","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0508","0.0428","","","0.1143","0.1189","","","","","","1.023","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213586","17.3753","0.0012","11.3661","0.0008","22.3579","0.0015","90","","103.118","0.001","90","","4300.2","0.5","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 Mo5 N6 Ni2 O25 P2 -","- C28 H30 Mo5 N6 Ni2 O25 P2 -","- C112 H120 Mo20 N24 Ni8 O100 P8 -","4","0.5","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0442","0.0317","","","0.0636","0.0672","","","","","","1.033","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213587","10.9305","0.0012","12.2497","0.0014","16.2618","0.0018","85.669","0.002","76.269","0.002","66.823","0.002","1944.1","0.4","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H35 Cu2 F3 Mo2 N4 O16 P2 -","- C32 H34 Cu2 F3 Mo2 N4 O16 P2 -","- C64 H68 Cu4 F6 Mo4 N8 O32 P4 -","2","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0582","0.0411","","","0.1162","0.1279","","","","","","1.047","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213588","8.9981","0.0006","20.6917","0.0016","21.1555","0.0016","113.586","0.002","96.089","0.002","95.629","0.002","3546.5","0.5","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","","","- C61 H56 Cu3 F7 Mo4 N9 O23 P4 -","- C61 H56 Cu3 F7 Mo4 N9 O23 P4 -","- C122 H112 Cu6 F14 Mo8 N18 O46 P8 -","2","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0605","0.0351","","","0.0633","0.0705","","","","","","1.007","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213589","8.562","0.002","19.809","0.005","13.219","0.003","90","","103.447","0.003","90","","2180.5","0.9","90","2","90","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 Cu3 F2 Mo2 N4 O18 P4 -","- C36 H36 Cu3 F2 Mo2 N4 O18 P4 -","- C72 H72 Cu6 F4 Mo4 N8 O36 P8 -","2","0.5","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0573","0.0485","","","0.1262","0.1302","","","","","","1.062","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213590","6.309","0.0006","10.7274","0.0009","6.3907","0.0006","90","","90","","90","","432.52","0.07","100","2","100","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C3 H3 Br O2 -","- C3 H3 Br O2 -","- C12 H12 Br4 O8 -","4","0.5","","Deringer, Volker L.; Pan, Fangfang; George, Janine; Müller, Paul; Dronskowski, Richard; Englert, Ulli","Intermolecular contacts in bromomalonic aldehyde—intuition, experiment, and theory","CrystEngComm","2014","16","2","135","","10.1039/c3ce41779d","","","0.71073","MoKα","","0.0526","0.0384","","","0.0792","0.083","","","","","","0.999","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213591","6.503","0.013","10.85","0.02","6.429","0.013","90","","90","","90","","453.6","1.5","291","2","291","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C3 H3 Br O2 -","- C3 H3 Br O2 -","- C12 H12 Br4 O8 -","4","0.5","","Deringer, Volker L.; Pan, Fangfang; George, Janine; Müller, Paul; Dronskowski, Richard; Englert, Ulli","Intermolecular contacts in bromomalonic aldehyde—intuition, experiment, and theory","CrystEngComm","2014","16","2","135","","10.1039/c3ce41779d","","","0.71073","MoKα","","0.0212","0.019","","","0.0398","0.0406","","","","","","1.033","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213592","20.8479","0.0005","35.6759","0.0009","38.2974","0.0008","90","","92.107","0.002","90","","28465.1","1.2","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C26 H239 Fe6 Ge6 K9 N26 O282 Sm6 W60 -","- C12 H60 Fe6 Ge6 K9 N12 O282 Sm6 W60 -","- C48 H240 Fe24 Ge24 K36 N48 O1128 Sm24 W240 -","4","0.5","","Wang, Jun; Zhao, Jun-Wei; Zhao, Hai-Yan; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","Syntheses, structures and properties of two multi-iron‒samarium/multi-iron substituted germanotungstates","CrystEngComm","2014","16","2","252","","10.1039/c3ce42023j","","","0.71073","MoKα","","0.0795","0.0491","","","0.1024","0.1127","","","","","","1.069","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213593","20.7644","0.0004","25.0049","0.0006","22.6513","0.0005","90","","100.729","0.002","90","","11555.2","0.4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C12 H87 Fe6 Ge3 K N12 O107 W24 -","- C2 H10 Fe6 Ge3 K N2 O104 W24 -","- C8 H40 Fe24 Ge12 K4 N8 O416 W96 -","4","1","","Wang, Jun; Zhao, Jun-Wei; Zhao, Hai-Yan; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","Syntheses, structures and properties of two multi-iron‒samarium/multi-iron substituted germanotungstates","CrystEngComm","2014","16","2","252","","10.1039/c3ce42023j","","","0.71073","MoKα","","0.1123","0.0667","","","0.166","0.1867","","","","","","1.071","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213594","14.0054","0.0003","15.1789","0.0003","18.5649","0.0003","90","","94.108","0.002","90","","3936.51","0.13","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Ag2 Cd I2 N4 O11 -","- C36 H28 Ag2 Cd I2 N4 O11 -","- C144 H112 Ag8 Cd4 I8 N16 O44 -","4","1","","Wei, Yong-Li; Li, Xiao-Yuan; Kang, Ting-Ting; Wang, Su-Na; Zang, Shuang-Quan","A series of Ag(i)‒Cd(ii) hetero- and Ag(i) homo-nuclear coordination polymers based on 5-iodo-isophthalic acid and N-donor ancillary ligands","CrystEngComm","2014","16","2","223","","10.1039/c3ce41714j","","","0.71073","MoKα","","0.0566","0.0398","","","0.0758","0.0806","","","","","","1.082","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213595","15.794","0.0005","13.4071","0.0006","17.8147","0.0008","90","","93.021","0.003","90","","3767.1","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H24 Ag2 Cd I2 N4 O9 -","- C40 H24 Ag2 Cd I2 N4 O9 -","- C160 H96 Ag8 Cd4 I8 N16 O36 -","4","1","","Wei, Yong-Li; Li, Xiao-Yuan; Kang, Ting-Ting; Wang, Su-Na; Zang, Shuang-Quan","A series of Ag(i)‒Cd(ii) hetero- and Ag(i) homo-nuclear coordination polymers based on 5-iodo-isophthalic acid and N-donor ancillary ligands","CrystEngComm","2014","16","2","223","","10.1039/c3ce41714j","","","0.71073","MoKα","","0.0831","0.0675","","","0.1563","0.1624","","","","","","1.061","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213596","26.099","0.0017","8.7015","0.0003","15.0839","0.0009","90","","116.468","0.008","90","","3066.5","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Ag2 I N O4 -","- C14 H10 Ag2 I N O4 -","- C112 H80 Ag16 I8 N8 O32 -","8","1","","Wei, Yong-Li; Li, Xiao-Yuan; Kang, Ting-Ting; Wang, Su-Na; Zang, Shuang-Quan","A series of Ag(i)‒Cd(ii) hetero- and Ag(i) homo-nuclear coordination polymers based on 5-iodo-isophthalic acid and N-donor ancillary ligands","CrystEngComm","2014","16","2","223","","10.1039/c3ce41714j","","","0.71073","MoKα","","0.0475","0.0387","","","0.0882","0.0928","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213597","9.2367","0.0009","9.3456","0.0008","13.4445","0.0011","88.897","0.007","71.282","0.008","67.893","0.008","1011.53","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H15 Ag2 I N2 O4 -","- C20 H15 Ag2 I N2 O4 -","- C40 H30 Ag4 I2 N4 O8 -","2","1","","Wei, Yong-Li; Li, Xiao-Yuan; Kang, Ting-Ting; Wang, Su-Na; Zang, Shuang-Quan","A series of Ag(i)‒Cd(ii) hetero- and Ag(i) homo-nuclear coordination polymers based on 5-iodo-isophthalic acid and N-donor ancillary ligands","CrystEngComm","2014","16","2","223","","10.1039/c3ce41714j","","","0.71073","MoKα","","0.0466","0.0332","","","0.0665","0.0717","","","","","","1.001","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213598","11.2576","0.0004","12.6293","0.0004","16.9504","0.0005","102.542","0.003","93.087","0.003","106.942","0.003","2232.56","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H34 Ag4 I2 N8 O8 -","- C44 H34 Ag4 I2 N8 O8 -","- C88 H68 Ag8 I4 N16 O16 -","2","1","","Wei, Yong-Li; Li, Xiao-Yuan; Kang, Ting-Ting; Wang, Su-Na; Zang, Shuang-Quan","A series of Ag(i)‒Cd(ii) hetero- and Ag(i) homo-nuclear coordination polymers based on 5-iodo-isophthalic acid and N-donor ancillary ligands","CrystEngComm","2014","16","2","223","","10.1039/c3ce41714j","","","0.71073","MoKα","","0.0629","0.0453","","","0.1092","0.1176","","","","","","1.004","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213599","24.461","0.006","12.134","0.003","14.921","0.004","90","","114.525","0.004","90","","4029.1","1.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H48 Dy N19 O17 -","- C24 H48 Dy N19 O17 -","- C96 H192 Dy4 N76 O68 -","4","0.5","","Liu, Qing-Yan; Li, Yi-Lei; Xiong, Wei-Lu; Wang, Yu-Ling; Luo, Feng; Liu, Cai-Ming; Chen, Li-Li","Urothermal synthesis of mononuclear lanthanide compounds: slow magnetization relaxation observed in Dy analogue","CrystEngComm","2014","16","4","585","","10.1039/c3ce41762j","","","0.71073","MoKα","","0.0333","0.0312","","","0.0832","0.0864","","","","","","1.003","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213600","24.3791","0.0012","12.1598","0.0006","14.82","0.0007","90","","114.394","0.001","90","","4001.1","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H48 N19 O17 Tb -","- C24 H48 N19 O17 Tb -","- C96 H192 N76 O68 Tb4 -","4","0.5","","Liu, Qing-Yan; Li, Yi-Lei; Xiong, Wei-Lu; Wang, Yu-Ling; Luo, Feng; Liu, Cai-Ming; Chen, Li-Li","Urothermal synthesis of mononuclear lanthanide compounds: slow magnetization relaxation observed in Dy analogue","CrystEngComm","2014","16","4","585","","10.1039/c3ce41762j","","","0.71073","MoKα","","0.0381","0.034","","","0.0908","0.0965","","","","","","1","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213601","7.392","0.0002","10.792","0.0003","11.641","0.0004","80.286","0.001","88.272","0.001","77.08","0.001","892.14","0.05","113","2","113","2","","","","","","","","6","P -1","-P 1","2","1","","","- C10 H14 Ag2 Cl2 N2 O12 -","- C10 H14 Ag2 Cl2 N2 O12 -","- C20 H28 Ag4 Cl4 N4 O24 -","2","1","","Puttreddy, Rakesh; Steel, Peter J.","Pyridine N-oxide: a hyperdentate argentophile","CrystEngComm","2014","16","4","556","","10.1039/c3ce42030b","","","0.71073","MoKα","","0.022","0.0211","","","0.0547","0.0553","","","","","","1.023","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213602","21.9957","0.0002","21.9957","0.0002","14.0739","0.0001","90","","90","","120","","5896.86","0.09","120","2","120","2","","","","","","","","6","R 3 :H","R 3","146","2","","","- C20 H20 Ag2 Cl2 N4 O12 -","- C20 H20 Ag2 Cl2 N4 O12 -","- C180 H180 Ag18 Cl18 N36 O108 -","9","1","","Puttreddy, Rakesh; Steel, Peter J.","Pyridine N-oxide: a hyperdentate argentophile","CrystEngComm","2014","16","4","556","","10.1039/c3ce42030b","","","0.71073","MoKα","","0.0215","0.0203","","","0.0504","0.0512","","","","","","1.158","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213603","13.3014","0.0003","13.3014","0.0003","5.9918","0.0002","90","","90","","120","","918.08","0.04","120","2","120","2","","","","","","","","6","P 63/m","-P 6c","176","3","","","- C15 H15 Ag Cl N3 O8 -","- C15 H15 Ag Cl N3 O8 -","- C30 H30 Ag2 Cl2 N6 O16 -","2","0.166667","","Puttreddy, Rakesh; Steel, Peter J.","Pyridine N-oxide: a hyperdentate argentophile","CrystEngComm","2014","16","4","556","","10.1039/c3ce42030b","","","0.71073","MoKα","","0.0454","0.0412","","","0.1019","0.1051","","","","","","1.169","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213604","8.26718","0.00008","10.26639","0.00013","11.74637","0.00013","86.5046","0.001","81.1991","0.0009","88.269","0.0009","983.171","0.019","120","2","120","2","","","","","","","","7","P -1","-P 1","2","4","","","- C12 H10 Ag2 F6 N2 O8 S2 -","- C12 H10 Ag2 F6 N2 O8 S2 -","- C24 H20 Ag4 F12 N4 O16 S4 -","2","1","","Puttreddy, Rakesh; Steel, Peter J.","Pyridine N-oxide: a hyperdentate argentophile","CrystEngComm","2014","16","4","556","","10.1039/c3ce42030b","","","0.71073","MoKα","","0.0239","0.0206","","","0.0476","0.05","","","","","","1.095","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213605","7.5719","0.0004","7.8718","0.0004","9.8803","0.0006","104.448","0.005","108.242","0.005","96.225","0.004","530.37","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1","P 1","1","","","","- C20 H23 N3 O6 S2 -","- C20 H23 N3 O6 S2 -","- C20 H23 N3 O6 S2 -","1","1","","Dai, Yiqiang; Tan, Jifeng; Ye, Ning; Yang, Zhou","Synthesis and crystal growth of thienyl-substituted pyridinium derivatives for second-order nonlinear optics","CrystEngComm","2014","16","4","636","","10.1039/c3ce41938j","","","0.7107","MoKα","","0.0285","0.0274","","","0.0678","0.0687","","","","","","1.032","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213606","8.765","0.003","10.24","0.004","12.354","0.005","103.59","0.005","104.227","0.006","91.636","0.004","1040.3","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 N2 O3 S2 -","- C22 H26 N2 O3 S2 -","- C44 H52 N4 O6 S4 -","2","1","","Dai, Yiqiang; Tan, Jifeng; Ye, Ning; Yang, Zhou","Synthesis and crystal growth of thienyl-substituted pyridinium derivatives for second-order nonlinear optics","CrystEngComm","2014","16","4","636","","10.1039/c3ce41938j","","","0.71073","MoKα","","0.0606","0.0558","","","0.135","0.1383","","","","","","1.152","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213607","12.0822","0.0008","23.676","0.0016","29.4806","0.0019","90","","90","","90","","8433.2","1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H28 N4 O4 Zn -","- C37 H28 N4 O4 Zn -","- C296 H224 N32 O32 Zn8 -","8","1","","Meng, Fandian; Qin, Ling; Zhang, Mingdao; Zheng, Hegen","Two pairs of isomorphism and two 3D metal‒organic frameworks based on a star-like ligand tri(4-pyridylphenyl)amine","CrystEngComm","2014","16","4","698","","10.1039/c3ce41694a","","","0.71073","MoKα","","0.0961","0.0707","","","0.1843","0.1966","","","","","","1.152","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213608","13.749","0.0012","17.0006","0.0015","13.165","0.0011","90","","93.109","0.001","90","","3072.7","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H26 Cd N4 O4 -","- C37 H26 Cd N4 O4 -","- C148 H104 Cd4 N16 O16 -","4","0.5","","Meng, Fandian; Qin, Ling; Zhang, Mingdao; Zheng, Hegen","Two pairs of isomorphism and two 3D metal‒organic frameworks based on a star-like ligand tri(4-pyridylphenyl)amine","CrystEngComm","2014","16","4","698","","10.1039/c3ce41694a","","","0.71073","MoKα","","0.0539","0.0446","","","0.1","0.1034","","","","","","0.954","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213609","11.9824","0.0013","32.547","0.004","10.7535","0.0012","90","","98.598","0.002","90","","4146.6","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H32 Cd N4 O5 -","- C47 H32 Cd N4 O5 -","- C188 H128 Cd4 N16 O20 -","4","1","","Meng, Fandian; Qin, Ling; Zhang, Mingdao; Zheng, Hegen","Two pairs of isomorphism and two 3D metal‒organic frameworks based on a star-like ligand tri(4-pyridylphenyl)amine","CrystEngComm","2014","16","4","698","","10.1039/c3ce41694a","","","0.71073","MoKα","","0.0736","0.0653","","","0.1736","0.1797","","","","","","1.074","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213610","11.6417","0.0011","32.11","0.003","10.837","0.0011","90","","98.525","0.002","90","","4006.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H32 Co N4 O5 -","- C47 H32 Co N4 O5 -","- C188 H128 Co4 N16 O20 -","4","1","","Meng, Fandian; Qin, Ling; Zhang, Mingdao; Zheng, Hegen","Two pairs of isomorphism and two 3D metal‒organic frameworks based on a star-like ligand tri(4-pyridylphenyl)amine","CrystEngComm","2014","16","4","698","","10.1039/c3ce41694a","","","0.71073","MoKα","","0.0655","0.0523","","","0.1324","0.1401","","","","","","0.953","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213611","19.407","0.007","13.628","0.005","16.307","0.006","90","","90","","90","","4313","3","293","2","293","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C50 H32 F6 N4 O4 Zn -","- C50 H32 F6 N4 O4 Zn -","- C200 H128 F24 N16 O16 Zn4 -","4","0.5","","Meng, Fandian; Qin, Ling; Zhang, Mingdao; Zheng, Hegen","Two pairs of isomorphism and two 3D metal‒organic frameworks based on a star-like ligand tri(4-pyridylphenyl)amine","CrystEngComm","2014","16","4","698","","10.1039/c3ce41694a","","","0.71073","MoKα","","0.0825","0.0637","","","0.1809","0.2015","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213612","19.414","0.004","13.605","0.002","16.216","0.003","90","","90","","90","","4283.1","1.3","296","2","296","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C50 H32 Co F6 N4 O4 -","- C50 H32 Co F6 N4 O4 -","- C200 H128 Co4 F24 N16 O16 -","4","0.5","","Meng, Fandian; Qin, Ling; Zhang, Mingdao; Zheng, Hegen","Two pairs of isomorphism and two 3D metal‒organic frameworks based on a star-like ligand tri(4-pyridylphenyl)amine","CrystEngComm","2014","16","4","698","","10.1039/c3ce41694a","","","0.71073","MoKα","","0.079","0.0454","","","0.1107","0.1246","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213613","17.6223","0.0008","6.783","0.0005","11.4011","0.0005","90","","90","","90","","1362.8","0.13","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H15 N O8 S -","- C10 H15 N O8 S -","- C40 H60 N4 O32 S4 -","4","0.5","","Nowak, Anna M.; Kurc, Teresa; Janczak, Jan; Videnova-Adrabinska, Veneta","Synthesis and structural analysis of alkylammonium sulfoisophthalates: cation size and geometry effects on the hydrogen bonded network","CrystEngComm","2014","16","4","591","","10.1039/c3ce41526k","","","0.71073","MoKα","","0.1686","0.0621","","","0.0933","0.1153","","","","","","1.006","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213614","12.235","0.002","8.073","0.001","15.736","0.003","90","","105.62","0.01","90","","1496.9","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 N O7 S -","- C12 H17 N O7 S -","- C48 H68 N4 O28 S4 -","4","1","","Nowak, Anna M.; Kurc, Teresa; Janczak, Jan; Videnova-Adrabinska, Veneta","Synthesis and structural analysis of alkylammonium sulfoisophthalates: cation size and geometry effects on the hydrogen bonded network","CrystEngComm","2014","16","4","591","","10.1039/c3ce41526k","","","0.71073","MoKα","","0.0521","0.0347","","","0.0968","0.1202","","","","","","1.013","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213615","13.1122","0.0003","9.5655","0.0002","14.8057","0.0005","90","","105.892","0.003","90","","1786.03","0.09","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 N O8 S -","- C14 H23 N O8 S -","- C56 H92 N4 O32 S4 -","4","1","","Nowak, Anna M.; Kurc, Teresa; Janczak, Jan; Videnova-Adrabinska, Veneta","Synthesis and structural analysis of alkylammonium sulfoisophthalates: cation size and geometry effects on the hydrogen bonded network","CrystEngComm","2014","16","4","591","","10.1039/c3ce41526k","","","0.71073","MoKα","","0.0825","0.0377","","","0.0722","0.098","","","","","","1.001","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213616","11.9085","0.0014","17.017","0.002","17.936","0.002","74.992","0.002","90.255","0.002","88.732","0.002","3509.6","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H42 Cu7 N14 Nd3 O22 -","- C58 H42 Cu7 N14 Nd3 O22 -","- C116 H84 Cu14 N28 Nd6 O44 -","2","1","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.071","0.0454","","","0.0783","0.0867","","","","","","1.082","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213617","11.8797","0.0008","17.3366","0.0012","17.9107","0.0013","74.332","0.001","88.418","0.001","86.236","0.001","3543.9","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H44 Cu7 Eu3 N14 O23 -","- C58 H44 Cu7 Eu3 N14 O23 -","- C116 H88 Cu14 Eu6 N28 O46 -","2","1","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0433","0.0343","","","0.0792","0.084","","","","","","1.019","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213618","11.8653","0.0011","17.36","0.0016","17.9132","0.0016","74.368","0.001","88.417","0.001","86.158","0.001","3545.2","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H44 Cu7 Gd3 N14 O23 -","- C58 H44 Cu7 Gd3 N14 O23 -","- C116 H88 Cu14 Gd6 N28 O46 -","2","1","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0457","0.036","","","0.0843","0.0896","","","","","","1.05","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213619","11.8612","0.0004","17.3255","0.0005","17.9096","0.0005","74.402","0.002","88.414","0.002","86.095","0.002","3536.5","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H44 Cu7 N14 O23 Tb3 -","- C58 H44 Cu7 N14 O23 Tb3 -","- C116 H88 Cu14 N28 O46 Tb6 -","2","1","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0377","0.0277","","","0.056","0.0601","","","","","","0.993","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213620","11.83","0.0008","17.3115","0.0011","17.8851","0.0012","74.425","0.001","88.424","0.001","86.063","0.001","3519.8","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H44 Cu7 Dy3 N14 O23 -","- C58 H44 Cu7 Dy3 N14 O23 -","- C116 H88 Cu14 Dy6 N28 O46 -","2","1","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0533","0.0389","","","0.0796","0.0867","","","","","","1.078","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213621","9.896","0.002","16.21","0.004","18.443","0.004","92.002","0.003","103.58","0.003","92.51","0.003","2869.9","1.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H88 Cl6 Cu13 N19 O44 Tb4 -","- C89 H88 Cl6 Cu13.001 N19 O44 Tb4 -","- C89 H88 Cl6 Cu13.001 N19 O44 Tb4 -","1","0.5","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0647","0.0462","","","0.0844","0.0911","","","","","","1.09","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213622","9.914","0.002","16.143","0.003","18.407","0.004","92.009","0.002","103.583","0.002","91.941","0.002","2859","1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H88 Cl6 Cu13 Dy4 N19 O44 -","- C89 H88 Cl6 Cu13 Dy4 N19 O44 -","- C89 H88 Cl6 Cu13 Dy4 N19 O44 -","1","0.5","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0638","0.0463","","","0.1039","0.1133","","","","","","1.082","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213623","37.632","0.004","7.7785","0.0007","17.7721","0.0017","90","","97.212","0.001","90","","5161.1","0.9","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C40 H26 Cu5 F5 N10 O17 S Tb4 -","- C40 H26 Cu5 F5 N10 O17 S Tb4 -","- C160 H104 Cu20 F20 N40 O68 S4 Tb16 -","4","0.5","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0353","0.0293","","","0.0686","0.0718","","","","","","1.041","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213624","37.632","0.004","7.7785","0.0007","17.7721","0.0017","90","","97.212","0.001","90","","5161.1","0.9","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C40 H26 Cu5 Dy4 F5 N10 O17 S -","- C40 H26 Cu5 Dy4 F5 N10 O17 S -","- C160 H104 Cu20 Dy16 F20 N40 O68 S4 -","4","0.5","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0417","0.036","","","0.0901","0.0948","","","","","","1.033","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213625","11.7096","0.0009","12.7197","0.001","18.5102","0.0015","108.956","0.001","95.649","0.001","97.916","0.001","2552.3","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C87 H68 Cu9 N19 O38 Tb6 -","- C87 H68 Cu9 N19 O38 Tb6 -","- C87 H68 Cu9 N19 O38 Tb6 -","1","0.5","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0414","0.032","","","0.072","0.0767","","","","","","1.05","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213626","11.7096","0.0009","12.7197","0.001","18.5102","0.0015","108.956","0.001","95.649","0.001","97.916","0.001","2552.3","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C87 H68 Cu9 Dy6 N19 O38 -","- C87 H68 Cu9 Dy6 N19 O38 -","- C87 H68 Cu9 Dy6 N19 O38 -","1","0.5","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0469","0.0354","","","0.0786","0.0848","","","","","","1.03","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213627","17.8782","0.001","30.743","0.0018","9.0004","0.0005","90","","104.069","0.001","90","","4798.5","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H31 Cu5 N10 O16 Tb2 -","- C42 H31 Cu5 N10 O16 Tb2 -","- C168 H124 Cu20 N40 O64 Tb8 -","4","1","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0385","0.0274","","","0.0539","0.0579","","","","","","1.034","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213628","17.857","0.004","30.693","0.007","8.995","0.002","90","","104.064","0.003","90","","4782.2","1.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H31 Cu5 Dy2 N10 O16 -","- C42 H31 Cu5 Dy2 N10 O16 -","- C168 H124 Cu20 Dy8 N40 O64 -","4","1","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0551","0.0413","","","0.0819","0.0873","","","","","","1.077","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213629","10.5187","0.0003","9.635","0.0003","15.331","0.0004","90","","102.261","0.002","90","","1518.32","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N14 Ni O4 S2 -","- C28 H20 N14 Ni O4 S2 -","- C56 H40 N28 Ni2 O8 S4 -","2","0.5","","Saha, Sandeepta; Sasmal, Ashok; Pilet, Guillaume; Bauzá, Antonio; Frontera, Antonio; Mitra, Samiran","An unusual nitroso⋯nitroso interaction in the coordination polymer structures of Ni(ii) and Co(ii) complexes with the α,ω-bis(benzotriazoloxy)alkane system","CrystEngComm","2014","16","4","654","","10.1039/c3ce41765d","","","0.71073","MoKα","","0.063","0.0393","","","0.0797","0.0861","","","","","","1.062","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213630","9.6417","0.0006","10.264","0.0006","11.8286","0.0006","66.695","0.006","67.466","0.005","64.424","0.006","937.31","0.11","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 N14 Ni O4 S2 -","- C32 H28 N14 Ni O4 S2 -","- C32 H28 N14 Ni O4 S2 -","1","0.5","","Saha, Sandeepta; Sasmal, Ashok; Pilet, Guillaume; Bauzá, Antonio; Frontera, Antonio; Mitra, Samiran","An unusual nitroso⋯nitroso interaction in the coordination polymer structures of Ni(ii) and Co(ii) complexes with the α,ω-bis(benzotriazoloxy)alkane system","CrystEngComm","2014","16","4","654","","10.1039/c3ce41765d","","","0.71073","MoKα","","0.0542","0.0398","","0.0619","0.0486","0.046","","","","","","1.0813","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213631","10.9405","0.0003","25.4462","0.0006","13.6306","0.0004","90","","95.718","0.002","90","","3775.8","0.18","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 Co N14 O4 S2 -","- C34 H32 Co N14 O4 S2 -","- C136 H128 Co4 N56 O16 S8 -","4","0.5","","Saha, Sandeepta; Sasmal, Ashok; Pilet, Guillaume; Bauzá, Antonio; Frontera, Antonio; Mitra, Samiran","An unusual nitroso⋯nitroso interaction in the coordination polymer structures of Ni(ii) and Co(ii) complexes with the α,ω-bis(benzotriazoloxy)alkane system","CrystEngComm","2014","16","4","654","","10.1039/c3ce41765d","","","0.71073","MoKα","","0.061","0.0485","","0.0526","0.0505","0.0503","","","","","","1.0977","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213632","8.9041","0.0008","11.5928","0.0007","14.2517","0.001","71.388","0.006","81.39","0.007","88.826","0.006","1377.88","0.19","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H6 Ag5 F12 N3 O9 -","- C17 H6 Ag5 F12 N3 O9 -","- C34 H12 Ag10 F24 N6 O18 -","2","1","","Li, Bo; Huang, Ren-Wu; Yao, Hong-Chang; Zang, Shuang-Quan; Mak, Thomas C. W.","Silver(i)‒organic frameworks assembled with flexible supramolecular synthons with a pendant ethynide arm attached to the heteroaryl skeleton","CrystEngComm","2014","16","4","723","","10.1039/c3ce41752b","","","0.71073","MoKα","","0.062","0.0511","","","0.1309","0.138","","","","","","1.065","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213633","16.0991","0.0016","8.8039","0.001","23.399","0.003","90","","120.917","0.007","90","","2845.2","0.6","296","","296","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C17 H8 Ag5 F12 N3 O10 -","- C17 H8 Ag5 F12 N3 O10 -","- C68 H32 Ag20 F48 N12 O40 -","4","1","","Li, Bo; Huang, Ren-Wu; Yao, Hong-Chang; Zang, Shuang-Quan; Mak, Thomas C. W.","Silver(i)‒organic frameworks assembled with flexible supramolecular synthons with a pendant ethynide arm attached to the heteroaryl skeleton","CrystEngComm","2014","16","4","723","","10.1039/c3ce41752b","","","0.71073","MoKα","","0.151","0.0884","","","0.1675","0.1955","","","","","","1.006","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213634","8.0193","0.0016","24.904","0.005","26.491","0.005","90","","93.01","0.03","90","","5283.3","1.8","296","","296","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C83 H46 Ag14 F30 N4 O27 S4 -","- C83 H46 Ag14 F30 N4 O27 S4 -","- C166 H92 Ag28 F60 N8 O54 S8 -","2","0.5","","Li, Bo; Huang, Ren-Wu; Yao, Hong-Chang; Zang, Shuang-Quan; Mak, Thomas C. W.","Silver(i)‒organic frameworks assembled with flexible supramolecular synthons with a pendant ethynide arm attached to the heteroaryl skeleton","CrystEngComm","2014","16","4","723","","10.1039/c3ce41752b","","","0.71073","MoKα","","0.117","0.0988","","","0.2915","0.3087","","","","","","1.116","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213635","15.346","0.003","24.558","0.005","22.739","0.005","90","","109.46","0.03","90","","8080","3","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C70 H58 Ag9 N9 O22 S7 -","- C70 H58 Ag9 N9 O22 S7 -","- C280 H232 Ag36 N36 O88 S28 -","4","1","","Li, Bo; Huang, Ren-Wu; Yao, Hong-Chang; Zang, Shuang-Quan; Mak, Thomas C. W.","Silver(i)‒organic frameworks assembled with flexible supramolecular synthons with a pendant ethynide arm attached to the heteroaryl skeleton","CrystEngComm","2014","16","4","723","","10.1039/c3ce41752b","","","0.71073","MoKα","","0.0827","0.0763","","","0.2095","0.2161","","","","","","1.081","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213636","7.5491","0.0005","8.7078","0.0005","10.824","0.0007","106.654","0.001","102.66","0.001","94.38","0.001","657.69","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H12 Eu N O10 -","- C9 H12 Eu N O10 -","- C18 H24 Eu2 N2 O20 -","2","1","","Feng, Xun; Chen, Jun-Ling; Wang, Li-Ya; Xie, Shi-Yu; Yang, Song; Huo, Su-Zhen; Ng, Seik-Weng","A series of homonuclear lanthanide complexes incorporating isonicotinic based carboxylate tectonic and oxalate coligand: structures, luminescent and magnetic properties","CrystEngComm","2014","16","7","1334","","10.1039/c3ce41674g","","","0.71073","MoKα","","0.015","0.0143","","","0.0361","0.0365","","","","","","1.046","","","","has coordinates,has disorder","194002","2020-10-21","18:00:00",""
"7213637","7.569","","8.766","","10.893","","106.6","","102.73","","94.14","","668.503","","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H12 Gd N O10 -","- C9 H10 Gd N O10 -","- C18 H20 Gd2 N2 O20 -","2","1","","Feng, Xun; Chen, Jun-Ling; Wang, Li-Ya; Xie, Shi-Yu; Yang, Song; Huo, Su-Zhen; Ng, Seik-Weng","A series of homonuclear lanthanide complexes incorporating isonicotinic based carboxylate tectonic and oxalate coligand: structures, luminescent and magnetic properties","CrystEngComm","2014","16","7","1334","","10.1039/c3ce41674g","","","0.71073","MoKα","","0.032","0.0316","","","0.09","0.0903","","","","","","1.106","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213638","7.481","0.003","8.648","0.004","10.771","0.004","106.586","0.004","102.53","0.004","94.388","0.004","644.8","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 N O9 Tb -","- C9 H10 N O9 Tb -","- C18 H20 N2 O18 Tb2 -","2","1","","Feng, Xun; Chen, Jun-Ling; Wang, Li-Ya; Xie, Shi-Yu; Yang, Song; Huo, Su-Zhen; Ng, Seik-Weng","A series of homonuclear lanthanide complexes incorporating isonicotinic based carboxylate tectonic and oxalate coligand: structures, luminescent and magnetic properties","CrystEngComm","2014","16","7","1334","","10.1039/c3ce41674g","","","0.71073","MoKα","","0.0398","0.0383","","","0.1014","0.1027","","","","","","1.041","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213639","7.4292","0.0009","8.6094","0.0011","10.7126","0.0013","106.552","0.001","102.334","0.001","94.421","0.001","634.64","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Ho2 N2 O18 -","- C18 H20 Ho2 N2 O18 -","- C18 H20 Ho2 N2 O18 -","1","0.5","","Feng, Xun; Chen, Jun-Ling; Wang, Li-Ya; Xie, Shi-Yu; Yang, Song; Huo, Su-Zhen; Ng, Seik-Weng","A series of homonuclear lanthanide complexes incorporating isonicotinic based carboxylate tectonic and oxalate coligand: structures, luminescent and magnetic properties","CrystEngComm","2014","16","7","1334","","10.1039/c3ce41674g","","","0.71073","MoKα","","0.0685","0.0602","","","0.1573","0.1652","","","","","","1.055","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213640","7.5714","0.001","8.7324","0.0012","10.8446","0.0015","106.671","0.001","102.674","0.001","94.37","0.001","662.67","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 N O9 Sm -","- C9 H10 N O9 Sm -","- C18 H20 N2 O18 Sm2 -","2","1","","Feng, Xun; Chen, Jun-Ling; Wang, Li-Ya; Xie, Shi-Yu; Yang, Song; Huo, Su-Zhen; Ng, Seik-Weng","A series of homonuclear lanthanide complexes incorporating isonicotinic based carboxylate tectonic and oxalate coligand: structures, luminescent and magnetic properties","CrystEngComm","2014","16","7","1334","","10.1039/c3ce41674g","","","0.71073","MoKα","","0.0152","0.015","","","0.0388","0.0389","","","","","","1.071","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213641","7.2339","0.0004","22.332","0.0014","23.4396","0.0013","90","","90","","90","","3786.6","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 Ba Cd N O14 -","- C32 H30 Ba Cd N O14 -","- C128 H120 Ba4 Cd4 N4 O56 -","4","1","","Zhang, Huabin; Lin, Ping; Shan, Xiaochen; Han, Liwei; Du, Shaowu","Absolute helicity induction: chiral information transfer from metal centre to the framework","CrystEngComm","2014","16","7","1245","","10.1039/c3ce42157k","","","0.71073","MoKα","","0.0381","0.0367","","","0.112","0.1142","","","","","","1.108","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7213642","7.2243","0.0006","22.315","0.002","23.376","0.002","90","","90","","90","","3768.5","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 Ba Cd N O14 -","- C32 H30 Ba Cd N O14 -","- C128 H120 Ba4 Cd4 N4 O56 -","4","1","","Zhang, Huabin; Lin, Ping; Shan, Xiaochen; Han, Liwei; Du, Shaowu","Absolute helicity induction: chiral information transfer from metal centre to the framework","CrystEngComm","2014","16","7","1245","","10.1039/c3ce42157k","","","0.71073","MoKα","","0.0693","0.0585","","","0.1708","0.1822","","","","","","0.927","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213643","12.1624","0.0009","13.1051","0.0013","17.8595","0.0016","106.905","0.005","94.129","0.002","97.344","0.004","2683.3","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H52 Co2 N6 O15 S2 -","- C52 H52 Co2 N6 O15 S2 -","- C104 H104 Co4 N12 O30 S4 -","2","1","","Bu, Yang; Jiang, Feilong; Zhou, Kang; Gai, Yanli; Hong, Maochun","From 3D interpenetrated polythreading to 3D non-interpenetrated polythreading: SBU modulation in a dual-ligand system","CrystEngComm","2014","16","7","1249","","10.1039/c3ce42050g","","","0.71073","MoKα","","0.0635","0.0434","","","0.1164","0.1831","","","","","","1","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213644","11.6947","0.0002","12.879","0.0003","17.9851","0.0003","82.552","0.002","71.924","0.002","72.78","0.002","2457.59","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H46 Cd2 N6 O12 S2 -","- C52 H46 Cd2 N6 O12 S2 -","- C104 H92 Cd4 N12 O24 S4 -","2","1","","Bu, Yang; Jiang, Feilong; Zhou, Kang; Gai, Yanli; Hong, Maochun","From 3D interpenetrated polythreading to 3D non-interpenetrated polythreading: SBU modulation in a dual-ligand system","CrystEngComm","2014","16","7","1249","","10.1039/c3ce42050g","","","0.71073","MoKα","","0.0294","0.024","","","0.0543","0.058","","","","","","1","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213645","11.439","0.005","14.807","0.005","19.751","0.005","82.658","0.005","86.874","0.005","76.935","0.005","3231","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H85 Dy Mn3 N6 Na O23 -","- C56 H85 Dy Mn3 N6 Na O23 -","- C112 H170 Dy2 Mn6 N12 Na2 O46 -","2","1","","Chandrasekhar, Vadapalli; Dey, Atanu; Das, Sourav; Kundu, Subrata","Syntheses and structures of a family of heterometallic pentanuclear [MnIII3LnNa] (Ln = Dy, Tb, Gd and Nd) complexes: H-bonding reduces the nuclearity from nine to five","CrystEngComm","2014","16","7","1304","","10.1039/c3ce41863d","","","0.71069","MoKα","","0.0926","0.0713","","","0.1915","0.2127","","","","","","1.052","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213646","11.455","0.005","14.841","0.005","19.776","0.005","82.715","0.005","87.032","0.005","76.958","0.005","3248","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H85 Mn3 N6 Na O23 Tb -","- C56 H85 Mn3 N6 Na O23 Tb -","- C112 H170 Mn6 N12 Na2 O46 Tb2 -","2","1","","Chandrasekhar, Vadapalli; Dey, Atanu; Das, Sourav; Kundu, Subrata","Syntheses and structures of a family of heterometallic pentanuclear [MnIII3LnNa] (Ln = Dy, Tb, Gd and Nd) complexes: H-bonding reduces the nuclearity from nine to five","CrystEngComm","2014","16","7","1304","","10.1039/c3ce41863d","","","0.71069","MoKα","","0.0716","0.0587","","","0.1536","0.1676","","","","","","1.041","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213647","11.405","0.005","14.776","0.005","19.775","0.005","82.63","0.005","86.886","0.005","76.901","0.005","3218","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H85 Gd Mn3 N6 Na O23 -","- C56 H85 Gd Mn3 N6 Na O23 -","- C112 H170 Gd2 Mn6 N12 Na2 O46 -","2","1","","Chandrasekhar, Vadapalli; Dey, Atanu; Das, Sourav; Kundu, Subrata","Syntheses and structures of a family of heterometallic pentanuclear [MnIII3LnNa] (Ln = Dy, Tb, Gd and Nd) complexes: H-bonding reduces the nuclearity from nine to five","CrystEngComm","2014","16","7","1304","","10.1039/c3ce41863d","","","0.71069","MoKα","","0.1473","0.0966","","","0.242","0.2829","","","","","","1.039","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213648","11.45","0.005","14.85","0.005","19.884","0.005","82.488","0.005","86.821","0.005","76.78","0.005","3262","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H85 Mn3 N6 Na Nd O23 -","- C56 H85 Mn3 N6 Na Nd O23 -","- C112 H170 Mn6 N12 Na2 Nd2 O46 -","2","1","","Chandrasekhar, Vadapalli; Dey, Atanu; Das, Sourav; Kundu, Subrata","Syntheses and structures of a family of heterometallic pentanuclear [MnIII3LnNa] (Ln = Dy, Tb, Gd and Nd) complexes: H-bonding reduces the nuclearity from nine to five","CrystEngComm","2014","16","7","1304","","10.1039/c3ce41863d","","","0.71069","MoKα","","0.1275","0.0818","","","0.2346","0.2757","","","","","","1.102","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213649","36.831","0.003","6.1181","0.0004","12.2456","0.0012","90","","99.224","0.007","90","","2723.7","0.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 N2 -","- C34 H32 N2 -","- C136 H128 N8 -","4","0.5","","Bastien, Guillaume; Lemouchi, Cyprien; Allain, Magali; Wzietek, Pawel; Rodríguez-Fortea, Antonio; Canadell, Enric; Iliopoulos, Konstantinos; Gindre, Denis; Chrysos, Michael; Batail, Patrick","Changing gears to neutral in a polymorph of one-dimensional arrays of cogwheel-like pairs of molecular rotors","CrystEngComm","2014","16","7","1241","","10.1039/c3ce42054j","","x-ray","0.71073","MoKα","","0.1565","0.059","","","0.1181","0.1512","","","","","","1.029","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213650","11.8637","0.0016","13.8353","0.0018","14.0619","0.0018","111.781","0.001","113.229","0.001","92.745","0.002","1917.9","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 N6 Ni O14 -","- C40 H36 N6 Ni O14 -","- C80 H72 N12 Ni2 O28 -","2","1","","Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Zarghami, Sara; Bauzá, Antonio; Frontera, Antonio; Mague, Joel T.; Habibi, Morteza; Shamsipur, Mojtaba","Crystal engineering with coordination compounds of 2,6-dicarboxy-4-hydroxypyridine and 9-aminoacridine fragments driven by different nature of the face-to-face π⋯π stacking","CrystEngComm","2014","16","7","1359","","10.1039/c3ce41730a","","","0.71073","MoKα","","0.0487","0.0416","","","0.104","0.1105","","","","","","1.031","","","","has coordinates,has disorder","301864","2025-08-22","15:14:32",""
"7213651","10.574","0.003","23.672","0.006","14.903","0.004","90","","104.379","0.003","90","","3613.5","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 Co N6 O13 -","- C40 H34 Co N6 O13 -","- C160 H136 Co4 N24 O52 -","4","1","","Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Zarghami, Sara; Bauzá, Antonio; Frontera, Antonio; Mague, Joel T.; Habibi, Morteza; Shamsipur, Mojtaba","Crystal engineering with coordination compounds of 2,6-dicarboxy-4-hydroxypyridine and 9-aminoacridine fragments driven by different nature of the face-to-face π⋯π stacking","CrystEngComm","2014","16","7","1359","","10.1039/c3ce41730a","","","0.71073","MoKα","","0.0485","0.035","","","0.0838","0.0924","","","","","","1.023","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213652","7.8867","0.0012","11.0204","0.0017","16.859","0.003","84.453","0.002","89.358","0.002","75.087","0.002","1409.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H21 Cr N4 O14 -","- C27 H20.962 Cr N4 O14 -","- C54 H41.924 Cr2 N8 O28 -","2","1","","Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Zarghami, Sara; Bauzá, Antonio; Frontera, Antonio; Mague, Joel T.; Habibi, Morteza; Shamsipur, Mojtaba","Crystal engineering with coordination compounds of 2,6-dicarboxy-4-hydroxypyridine and 9-aminoacridine fragments driven by different nature of the face-to-face π⋯π stacking","CrystEngComm","2014","16","7","1359","","10.1039/c3ce41730a","","","0.71073","MoKα","","0.0666","0.0573","","","0.1532","0.163","","","","","","1.058","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213653","12.058","0.0012","13.9067","0.0014","14.0032","0.0015","111.967","0.001","115.126","0.001","94.003","0.002","1897.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 Cd N6 O14 -","- C40 H36 Cd N6 O14 -","- C80 H72 Cd2 N12 O28 -","2","1","","Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Zarghami, Sara; Bauzá, Antonio; Frontera, Antonio; Mague, Joel T.; Habibi, Morteza; Shamsipur, Mojtaba","Crystal engineering with coordination compounds of 2,6-dicarboxy-4-hydroxypyridine and 9-aminoacridine fragments driven by different nature of the face-to-face π⋯π stacking","CrystEngComm","2014","16","7","1359","","10.1039/c3ce41730a","","","0.71073","MoKα","","0.0337","0.0318","","","0.086","0.0874","","","","","","1.084","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213654","11.2796","0.0005","16.9872","0.0008","33.1264","0.0017","90","","92.11","0.004","90","","6343","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Co4(N3)4(PTA)3(4-CV)2]n.2nH2O","","","- C60 H44 Co4 N18 O14 -","- C60 H40 Co4 N18 O14 -","- C240 H160 Co16 N72 O56 -","4","0.5","","Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Liu, Zhi-Fa; Chen, Jun; Xiao, Yu; Li, Rong; Guo, Guo-Cong","Assembly of Co(ii)/Cu(ii)‒azido polynuclear polymers: structural diversity and magnetic behavior","CrystEngComm","2014","16","10","2009","","10.1039/c3ce42130a","","","0.71073","MoKα","","0.0566","0.0494","","","0.1519","0.1584","","","","","","1.063","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213655","11.2319","0.0009","17.004","0.0013","33.097","0.003","90","","95.524","0.006","90","","6291.7","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Co4(N3)4(PTA)3(3-CV)2]n.nH2O","","","- C60 H42 Co4 N18 O13 -","- C60 H40 Co4 N18 O13 -","- C240 H160 Co16 N72 O52 -","4","0.5","","Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Liu, Zhi-Fa; Chen, Jun; Xiao, Yu; Li, Rong; Guo, Guo-Cong","Assembly of Co(ii)/Cu(ii)‒azido polynuclear polymers: structural diversity and magnetic behavior","CrystEngComm","2014","16","10","2009","","10.1039/c3ce42130a","","","0.71073","MoKα","","0.0706","0.0566","","","0.1163","0.1234","","","","","","1.1","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213656","8.6131","0.0009","13.4894","0.0013","22.967","0.003","90","","97.547","0.007","90","","2645.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[Cu6(N3)14(4-CV)2]n","","","- C36 H28 Cu6 N48 -","- C36 H28 Cu6 N48 -","- C72 H56 Cu12 N96 -","2","0.5","","Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Liu, Zhi-Fa; Chen, Jun; Xiao, Yu; Li, Rong; Guo, Guo-Cong","Assembly of Co(ii)/Cu(ii)‒azido polynuclear polymers: structural diversity and magnetic behavior","CrystEngComm","2014","16","10","2009","","10.1039/c3ce42130a","","","0.71073","MoKα","","0.0774","0.0637","","","0.1589","0.1685","","","","","","1.054","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213657","8.3731","0.0017","8.4927","0.0017","13.562","0.003","90.66","0.03","98.89","0.03","110.09","0.03","892.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 Mn2 N8 O7 -","- C13 H12 Mn2 N8 O7 -","- C26 H24 Mn4 N16 O14 -","2","1","","Wang, Lei; Zhao, Rui; Xu, Long-Yang; Liu, Ting; Zhao, Jiong-Peng; Wang, Shi-Ming; Liu, Fu-Chen","The synthesis, structure, and magnetic properties of two novel manganese(ii) azido/formate coordination polymers with isonicotinic acid N-oxide as a coligand","CrystEngComm","2014","16","10","2070","","10.1039/c3ce42158a","","","0.71073","MoKα","","0.0661","0.0525","","","0.1121","0.1179","","","","","","1.129","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213658","24.124","0.003","24.124","0.003","7.4767","0.0015","90","","90","","120","","3768.2","1","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C7 H5 Mn N O5 -","- C7 H5 Mn N O5 -","- C126 H90 Mn18 N18 O90 -","18","1","","Wang, Lei; Zhao, Rui; Xu, Long-Yang; Liu, Ting; Zhao, Jiong-Peng; Wang, Shi-Ming; Liu, Fu-Chen","The synthesis, structure, and magnetic properties of two novel manganese(ii) azido/formate coordination polymers with isonicotinic acid N-oxide as a coligand","CrystEngComm","2014","16","10","2070","","10.1039/c3ce42158a","","","0.71073","MoKα","","0.0629","0.0469","","","0.0779","0.0823","","","","","","1.155","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213659","8.0959","0.0004","18.776","0.001","7.9719","0.0004","90","","111.19","0.003","90","","1129.86","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Li O6 -","- C12 H11 Li O6 -","- C48 H44 Li4 O24 -","4","1","","Raja, Duraisamy Senthil; Luo, Jheng-Hong; Yeh, Chun-Ting; Jiang, Yue-Chun; Hsu, Kuei-Fang; Lin, Chia-Her","Novel alkali and alkaline earth metal coordination polymers based on 1,4-naphthalenedicarboxylic acid: synthesis, structural characterization and properties","CrystEngComm","2014","16","10","1985","","10.1039/c3ce42208a","","","0.71073","MoKα","","0.0533","0.0418","","","0.1164","0.1267","","","","","","1.042","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213660","18.2186","0.0006","18.2186","0.0006","8.688","0.0003","90","","90","","120","","2497.36","0.14","295","2","295","2","","","","","","","","5","P 65","P 65","170","","","","- C15 H13 N Na2 O5 -","- C15 H13 N Na2 O5 -","- C90 H78 N6 Na12 O30 -","6","1","","Raja, Duraisamy Senthil; Luo, Jheng-Hong; Yeh, Chun-Ting; Jiang, Yue-Chun; Hsu, Kuei-Fang; Lin, Chia-Her","Novel alkali and alkaline earth metal coordination polymers based on 1,4-naphthalenedicarboxylic acid: synthesis, structural characterization and properties","CrystEngComm","2014","16","10","1985","","10.1039/c3ce42208a","","","0.71073","MoKα","","0.0788","0.0491","","","0.1173","0.132","","","","","","1.06","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7213661","14.7579","0.0002","30.9679","0.0004","11.3786","0.0002","90","","90","","90","","5200.26","0.13","295","2","295","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H17 Mg2 O11 -","- C24 H17 Mg2 O11 -","- C192 H136 Mg16 O88 -","8","1","","Raja, Duraisamy Senthil; Luo, Jheng-Hong; Yeh, Chun-Ting; Jiang, Yue-Chun; Hsu, Kuei-Fang; Lin, Chia-Her","Novel alkali and alkaline earth metal coordination polymers based on 1,4-naphthalenedicarboxylic acid: synthesis, structural characterization and properties","CrystEngComm","2014","16","10","1985","","10.1039/c3ce42208a","","","0.71073","MoKα","","0.0987","0.0647","","","0.1748","0.1906","","","","","","1.052","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213662","6.7017","0.0001","14.3958","0.0003","14.9405","0.0003","90","","90","","90","","1441.4","0.05","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Ca N O5 -","- C15 H13 Ca N O5 -","- C60 H52 Ca4 N4 O20 -","4","1","","Raja, Duraisamy Senthil; Luo, Jheng-Hong; Yeh, Chun-Ting; Jiang, Yue-Chun; Hsu, Kuei-Fang; Lin, Chia-Her","Novel alkali and alkaline earth metal coordination polymers based on 1,4-naphthalenedicarboxylic acid: synthesis, structural characterization and properties","CrystEngComm","2014","16","10","1985","","10.1039/c3ce42208a","","","0.71073","MoKα","","0.0349","0.0302","","","0.0687","0.0714","","","","","","1.024","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213663","6.8883","0.0001","14.7074","0.0002","14.981","0.0002","90","","90","","90","","1517.71","0.04","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N O5 Sr -","- C15 H13 N O5 Sr -","- C60 H52 N4 O20 Sr4 -","4","1","","Raja, Duraisamy Senthil; Luo, Jheng-Hong; Yeh, Chun-Ting; Jiang, Yue-Chun; Hsu, Kuei-Fang; Lin, Chia-Her","Novel alkali and alkaline earth metal coordination polymers based on 1,4-naphthalenedicarboxylic acid: synthesis, structural characterization and properties","CrystEngComm","2014","16","10","1985","","10.1039/c3ce42208a","","","0.71073","MoKα","","0.028","0.0257","","","0.0757","0.0772","","","","","","1.05","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213664","7.1269","0.0003","14.6724","0.0006","15.0027","0.0005","90","","90","","90","","1568.81","0.11","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Ba N O5 -","- C15 H13 Ba N O5 -","- C60 H52 Ba4 N4 O20 -","4","1","","Raja, Duraisamy Senthil; Luo, Jheng-Hong; Yeh, Chun-Ting; Jiang, Yue-Chun; Hsu, Kuei-Fang; Lin, Chia-Her","Novel alkali and alkaline earth metal coordination polymers based on 1,4-naphthalenedicarboxylic acid: synthesis, structural characterization and properties","CrystEngComm","2014","16","10","1985","","10.1039/c3ce42208a","","","0.71073","MoKα","","0.0316","0.0273","","","0.0498","0.0512","","","","","","1.012","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213665","10.944","0.0003","65.6499","0.0013","11.2294","0.0003","90","","110.447","0.003","90","","7559.7","0.4","294","2","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C82 H50 Br6 N12 O14 -","- C82 H50 Br6 N12 O14 -","- C328 H200 Br24 N48 O56 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Halogen bonding directed supramolecular assembly in bromo-substituted trezimides and tennimides","CrystEngComm","2014","16","10","1893","","10.1039/c3ce42168f","","","0.71073","MoKα","","0.1237","0.0747","","","0.1398","0.1587","","","","","","1.096","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213666","14.0441","0.0004","19.1432","0.0003","19.1482","0.0004","90","","90","","90","","5148","0.2","294","2","294","1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C52.8 H28.8 Br4 Cl2.4 N8 O8 -","- C52.8 H28.8 Br4 Cl2.4 N8 O8 -","- C211.2 H115.2 Br16 Cl9.6 N32 O32 -","4","0.5","","Mocilac, Pavle; Gallagher, John F.","Halogen bonding directed supramolecular assembly in bromo-substituted trezimides and tennimides","CrystEngComm","2014","16","10","1893","","10.1039/c3ce42168f","","","1.54184","CuKα","","0.0516","0.044","","","0.1154","0.1224","","","","","","1.042","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213667","12.815","0.0006","13.6159","0.0005","25.7452","0.0011","84.442","0.003","87.666","0.004","80.07","0.004","4402.8","0.3","294","2","294","1","","","","","","","","6","P -1","-P 1","2","11-124_(26BrIO)3_2CHCl3","","","- C38 H20 Br3 Cl6 N9 O6 -","- C38 H20 Br3 Cl6 N9 O6 -","- C152 H80 Br12 Cl24 N36 O24 -","4","2","","Mocilac, Pavle; Gallagher, John F.","Halogen bonding directed supramolecular assembly in bromo-substituted trezimides and tennimides","CrystEngComm","2014","16","10","1893","","10.1039/c3ce42168f","","","0.71073","MoKα","","0.1883","0.0793","","","0.1463","0.1931","","","","","","1.012","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213668","12.239","0.0005","13.6149","0.0005","13.6447","0.0005","100.749","0.003","99.99","0.003","95.463","0.003","2180.69","0.15","294","2","294","1","","","","","","","","6","P -1","-P 1","2","(26BrIO)3_CH2Cl2_[11-125]","","","- C38 H22 Br3 Cl4 N9 O6 -","- C38 H22 Br3 Cl4 N9 O6 -","- C76 H44 Br6 Cl8 N18 O12 -","2","1","","Mocilac, Pavle; Gallagher, John F.","Halogen bonding directed supramolecular assembly in bromo-substituted trezimides and tennimides","CrystEngComm","2014","16","10","1893","","10.1039/c3ce42168f","","","0.71073","MoKα","","0.1119","0.0667","","","0.1607","0.1867","","","","","","1.013","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213669","10.5779","0.0003","13.2805","0.0003","40.7855","0.0013","90","","95.936","0.002","90","","5698.8","0.3","294","2","294","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C99.8 H53.8 Br8 Cl11.4 N24 O17 -","- C99.8 H53.8 Br8 Cl11.4 N24 O17 -","- C199.6 H107.6 Br16 Cl22.8 N48 O34 -","2","0.5","","Mocilac, Pavle; Gallagher, John F.","Halogen bonding directed supramolecular assembly in bromo-substituted trezimides and tennimides","CrystEngComm","2014","16","10","1893","","10.1039/c3ce42168f","","","0.71073","MoKα","","0.1177","0.0763","","","0.182","0.2053","","","","","","1.032","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213670","15.3403","0.001","21.9052","0.001","16.9452","0.0014","90","","113.426","0.001","90","","5224.8","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H26.5 Cl Co0.5 N4 O4.25 -","- C24 H24 Cl Co0.5 N4 O3.25 -","- C192 H192 Cl8 Co4 N32 O26 -","8","1","","Liu, Qing-Xiang; Bi, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Wang, Jian-Hua; Wang, Xiu-Guang","Copper(ii) and cobalt(ii) complexes based on bis-benzimidazolyl ligand with 1,2-bis(2′-ethoxy)phenyl linker: synthesis, crystal structure and conformations","CrystEngComm","2014","16","10","1950","","10.1039/c3ce40957k","","","0.71073","MoKα","","0.0785","0.0683","","","0.2349","0.2463","","","","","","1.119","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213671","18.563","0.0009","12.6014","0.0006","19.9775","0.001","90","","90","","90","","4673.1","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H22 Cl2 Cu N4 O2 -","- C24 H22 Cl2 Cu N4 O2 -","- C192 H176 Cl16 Cu8 N32 O16 -","8","1","","Liu, Qing-Xiang; Bi, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Wang, Jian-Hua; Wang, Xiu-Guang","Copper(ii) and cobalt(ii) complexes based on bis-benzimidazolyl ligand with 1,2-bis(2′-ethoxy)phenyl linker: synthesis, crystal structure and conformations","CrystEngComm","2014","16","10","1950","","10.1039/c3ce40957k","","","0.71073","MoKα","","0.044","0.0337","","","0.0828","0.0897","","","","","","1.049","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213672","10.3233","0.0006","10.9891","0.0006","13.3452","0.0008","79.573","0.001","85.122","0.001","75.565","0.001","1440.66","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 Cu N7 O9 -","- C27 H29 Cu N7 O9 -","- C54 H58 Cu2 N14 O18 -","2","1","","Liu, Qing-Xiang; Bi, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Wang, Jian-Hua; Wang, Xiu-Guang","Copper(ii) and cobalt(ii) complexes based on bis-benzimidazolyl ligand with 1,2-bis(2′-ethoxy)phenyl linker: synthesis, crystal structure and conformations","CrystEngComm","2014","16","10","1950","","10.1039/c3ce40957k","","","0.71073","MoKα","","0.0321","0.0286","","","0.0761","0.0782","","","","","","1.056","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213673","9.8299","0.0004","11.2063","0.0005","11.6827","0.0005","102.816","0.001","103.306","0.001","98.245","0.001","1195.26","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Cu N4 O6 S -","- C24 H22 Cu N4 O6 S -","- C48 H44 Cu2 N8 O12 S2 -","2","1","","Liu, Qing-Xiang; Bi, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Wang, Jian-Hua; Wang, Xiu-Guang","Copper(ii) and cobalt(ii) complexes based on bis-benzimidazolyl ligand with 1,2-bis(2′-ethoxy)phenyl linker: synthesis, crystal structure and conformations","CrystEngComm","2014","16","10","1950","","10.1039/c3ce40957k","","","0.71073","MoKα","","0.0912","0.0853","","","0.2243","0.2304","","","","","","1.049","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213674","12.7947","0.0005","16.9353","0.0007","18.0105","0.0008","90","","104.74","0.001","90","","3774.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H40 Co N6 O8 -","- C38 H40 Co N6 O8 -","- C152 H160 Co4 N24 O32 -","4","1","","Liu, Qing-Xiang; Bi, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Wang, Jian-Hua; Wang, Xiu-Guang","Copper(ii) and cobalt(ii) complexes based on bis-benzimidazolyl ligand with 1,2-bis(2′-ethoxy)phenyl linker: synthesis, crystal structure and conformations","CrystEngComm","2014","16","10","1950","","10.1039/c3ce40957k","","","0.71073","MoKα","","0.0617","0.0456","","","0.1288","0.1424","","","","","","1.057","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213675","21.6962","0.0017","16.6659","0.0017","17.1799","0.0015","90","","102.019","0.002","90","","6075.8","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H33.5 Cu N4 O8.25 -","- C28.5 H30 Cu N4 O8.25 -","- C228 H240 Cu8 N32 O66 -","8","1","","Liu, Qing-Xiang; Bi, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Wang, Jian-Hua; Wang, Xiu-Guang","Copper(ii) and cobalt(ii) complexes based on bis-benzimidazolyl ligand with 1,2-bis(2′-ethoxy)phenyl linker: synthesis, crystal structure and conformations","CrystEngComm","2014","16","10","1950","","10.1039/c3ce40957k","","","0.71073","MoKα","","0.1108","0.0634","","","0.1724","0.2042","","","","","","1.054","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213676","9.7066","0.0005","10.7611","0.0005","13.1318","0.0006","112.448","0.001","96.662","0.001","103.768","0.001","1198.16","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Cl2 Co N4 O2 -","- C24 H22 Cl2 Co N4 O2 -","- C48 H44 Cl4 Co2 N8 O4 -","2","1","","Liu, Qing-Xiang; Bi, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Wang, Jian-Hua; Wang, Xiu-Guang","Copper(ii) and cobalt(ii) complexes based on bis-benzimidazolyl ligand with 1,2-bis(2′-ethoxy)phenyl linker: synthesis, crystal structure and conformations","CrystEngComm","2014","16","10","1950","","10.1039/c3ce40957k","","","0.71073","MoKα","","0.032","0.0283","","","0.0725","0.0748","","","","","","1.047","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213677","12.191","0.005","13.18","0.005","13.506","0.005","92.714","0.005","109.859","0.005","110.756","0.005","1873.6","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H43 Cu2 N16 O50 P W12 -","- C30 H22 Cu2 N16 O50 P W12 -","- C30 H22 Cu2 N16 O50 P W12 -","1","0.5","","Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Zhuanfang; Yu, Yan; Liu, Heng; Yu, Tingting","Tuning the dimension of POM-based inorganic‒organic hybrids from 3D self-penetrating framework to 1D poly-pendant chain via changing POM clusters and introducing secondary spacers","CrystEngComm","2014","16","10","2045","","10.1039/c3ce42064g","","","0.71069","MoKα","","0.0987","0.0715","","","0.1865","0.2044","","","","","","1.081","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213678","11.0152","0.0005","11.7744","0.0005","12.4173","0.0006","70.921","0.001","86.69","0.001","89.694","0.001","1519.33","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 Cu5 Mo8 N36 O28 -","- C30 H18 Cu5 Mo8 N36 O28 -","- C30 H18 Cu5 Mo8 N36 O28 -","1","0.5","","Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Zhuanfang; Yu, Yan; Liu, Heng; Yu, Tingting","Tuning the dimension of POM-based inorganic‒organic hybrids from 3D self-penetrating framework to 1D poly-pendant chain via changing POM clusters and introducing secondary spacers","CrystEngComm","2014","16","10","2045","","10.1039/c3ce42064g","","","0.71073","MoKα","","0.0216","0.0198","","","0.0525","0.0538","","","","","","1.018","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213679","16.437","0.004","21.933","0.006","21.811","0.006","90","","100.372","0.003","90","","7735","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H31 Cu5 N36 O47 P W12 -","- C30 H18 Cu5 N36 O47 P W12 -","- C120 H72 Cu20 N144 O188 P4 W48 -","4","0.5","","Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Zhuanfang; Yu, Yan; Liu, Heng; Yu, Tingting","Tuning the dimension of POM-based inorganic‒organic hybrids from 3D self-penetrating framework to 1D poly-pendant chain via changing POM clusters and introducing secondary spacers","CrystEngComm","2014","16","10","2045","","10.1039/c3ce42064g","","","0.71073","MoKα","","0.1326","0.0857","","","0.2171","0.2419","","","","","","1.087","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213680","10.7704","0.0005","11.2485","0.0005","12.3945","0.0005","63.892","0.005","66.121","0.004","73.689","0.007","1223.29","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H28 Cu4 Mo8 N14 O34 -","- C20 H14 Cu4 Mo8 N14 O34 -","- C20 H14 Cu4 Mo8 N14 O34 -","1","0.5","","Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Zhuanfang; Yu, Yan; Liu, Heng; Yu, Tingting","Tuning the dimension of POM-based inorganic‒organic hybrids from 3D self-penetrating framework to 1D poly-pendant chain via changing POM clusters and introducing secondary spacers","CrystEngComm","2014","16","10","2045","","10.1039/c3ce42064g","","","0.71073","MoKα","","0.0325","0.0268","","","0.0663","0.0692","","","","","","1.031","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213681","13.47","0.004","25.55","0.007","9.964","0.003","90","","91.569","0.004","90","","3427.9","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H50 Cl6 N6 O14 Pr2 -","- C72 H50 Cl6 N6 O14 Pr2 -","- C144 H100 Cl12 N12 O28 Pr4 -","2","0.5","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid–terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0576","0.0347","","","0.0682","0.0766","","","","","","0.984","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213682","9.8762","0.0014","13.3762","0.0019","13.76","0.002","85.263","0.002","85.703","0.002","71.627","0.002","1716.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Cl6 N6 Nd2 O14 -","- C72 H46 Cl6 N6 Nd2 O14 -","- C72 H46 Cl6 N6 Nd2 O14 -","1","0.5","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0615","0.0434","","","0.0957","0.1048","","","","","","1.038","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213683","9.87","0.004","13.299","0.005","13.741","0.005","85.436","0.006","85.671","0.005","71.838","0.005","1705.9","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Cl6 N6 O14 Sm2 -","- C72 H50 Cl6 N6 O14 Sm2 -","- C72 H50 Cl6 N6 O14 Sm2 -","1","0.5","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid–terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0801","0.056","","","0.1133","0.1245","","","","","","1.013","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213684","8.676","0.005","13.215","0.005","14.791","0.005","100.259","0.005","98.005","0.005","92.052","0.005","1649.3","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 N3 O7 Sm -","- C36 H25 Cl3 N3 O7 Sm -","- C72 H50 Cl6 N6 O14 Sm2 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid–terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0299","0.0255","","","0.0587","0.0601","","","","","","1.049","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213685","9.938","0.003","13.296","0.003","13.692","0.003","85.412","0.004","85.738","0.004","71.375","0.004","1706.7","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Cl6 Eu2 N6 O14 -","- C72 H50 Cl6 Eu2 N6 O14 -","- C72 H50 Cl6 Eu2 N6 O14 -","1","0.5","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid–terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0578","0.0446","","","0.0917","0.0978","","","","","","1.023","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213686","8.694","0.003","13.21","0.004","14.787","0.005","100.236","0.006","97.994","0.006","92.172","0.006","1651.6","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 Eu N3 O7 -","- C36 H25 Cl3 Eu N3 O7 -","- C72 H50 Cl6 Eu2 N6 O14 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid–terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.082","0.0516","","","0.0907","0.1033","","","","","","0.974","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213687","8.6934","0.0009","13.1762","0.0013","14.7709","0.0015","100.235","0.001","97.94","0.001","92.176","0.001","1645.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 Gd N3 O7 -","- C36 H25 Cl3 Gd N3 O7 -","- C72 H50 Cl6 Gd2 N6 O14 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid–terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0556","0.0387","","","0.0751","0.0812","","","","","","1.02","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213688","8.684","0.005","13.13","0.005","14.77","0.005","100.221","0.005","97.912","0.005","92.257","0.005","1638.1","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 N3 O7 Tb -","- C36 H25 Cl3 N3 O7 Tb -","- C72 H50 Cl6 N6 O14 Tb2 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid–terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0493","0.0368","","","0.0784","0.0817","","","","","","1.078","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213689","8.689","0.005","13.109","0.005","14.771","0.005","100.206","0.005","97.819","0.005","92.396","0.005","1636.7","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 Dy N3 O7 -","- C36 H23 Cl3 Dy N3 O7 -","- C72 H46 Cl6 Dy2 N6 O14 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0635","0.046","","","0.0934","0.0993","","","","","","1.039","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213690","8.703","0.002","13.1","0.003","14.761","0.004","100.253","0.004","97.766","0.004","92.399","0.004","1637.1","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 Ho N3 O7 -","- C36 H25 Cl3 Ho N3 O7 -","- C72 H50 Cl6 Ho2 N6 O14 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid–terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0729","0.0468","","","0.0812","0.0907","","","","","","0.994","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213691","8.7004","0.0018","13.066","0.003","14.779","0.003","100.219","0.003","97.697","0.003","92.384","0.003","1634.8","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 Er N3 O7 -","- C36 H23 Cl3 Er N3 O7 -","- C72 H46 Cl6 Er2 N6 O14 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0785","0.0507","","","0.1049","0.118","","","","","","0.986","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213692","8.692","0.005","13.033","0.005","14.775","0.005","100.252","0.005","97.701","0.005","92.426","0.005","1628.4","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 N3 O7 Tm -","- C36 H25 Cl3 N3 O7 Tm -","- C72 H50 Cl6 N6 O14 Tm2 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid–terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0472","0.0359","","","0.0722","0.0754","","","","","","0.967","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213693","8.6999","0.0008","13.0183","0.0012","14.8094","0.0014","100.207","0.001","97.549","0.001","92.53","0.001","1632.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 N3 O7 Yb -","- C36 H25 Cl3 N3 O7 Yb -","- C72 H50 Cl6 N6 O14 Yb2 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid–terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0416","0.0323","","","0.0622","0.066","","","","","","1.001","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213694","8.701","0.0008","13.0007","0.0012","14.7847","0.0014","100.22","0.002","97.514","0.002","92.537","0.002","1627.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 Lu N3 O7 -","- C36 H23 Cl3 Lu N3 O7 -","- C72 H46 Cl6 Lu2 N6 O14 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0648","0.0444","","","0.0797","0.0888","","","","","","0.997","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213695","8.706","0.003","13.108","0.005","14.788","0.005","100.278","0.006","97.723","0.006","92.392","0.006","1641.7","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 N3 O7 Y -","- C36 H25 Cl3 N3 O7 Y -","- C72 H50 Cl6 N6 O14 Y2 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid–terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.1085","0.0554","","","0.1031","0.1241","","","","","","0.977","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213696","21.065","0.005","12.657","0.003","11.992","0.003","90","","90","","90","","3197.3","1.3","100","3","100","3","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- C16 H112 Br O38 P -","- C16 H102.5 Br O38 P -","- C32 H205 Br2 O76 P2 -","2","0.25","","Muromachi, Sanehiro; Takeya, Satoshi; Yamamoto, Yoshitaka; Ohmura, Ryo","Characterization of tetra-n-butylphosphonium bromide semiclathrate hydrate by crystal structure analysis","CrystEngComm","2014","16","10","2056","","10.1039/c3ce41942h","","","0.7107","MoKα","","0.0715","0.0646","","","0.1858","0.1899","","","","","","1.119","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213697","10.4352","0.0016","9.1374","0.0013","42.862","0.007","90","","90.359","0.003","90","","4086.8","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 F5 N3 O3 -","- C21 H20 F5 N3 O3 -","- C168 H160 F40 N24 O24 -","8","2","","Wang, Ji-Liang; Xu, Jia-Su; Wang, Dong-Yun; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei","Anti-parallel sheet structures of side-chain-free γ-, δ-, and ε-dipeptides stabilized by benzene–pentafluorobenzene stacking","CrystEngComm","2014","16","10","2078","","10.1039/c3ce42060d","","","0.71073","MoKα","","0.1029","0.0638","","","0.1644","0.1862","","","","","","1.002","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213698","6.303","0.006","7.483","0.007","17.132","0.015","85.192","0.018","81.417","0.018","83.941","0.018","792.6","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 F5 N2 O2 -","- C17 H13 F5 N2 O2 -","- C34 H26 F10 N4 O4 -","2","1","","Wang, Ji-Liang; Xu, Jia-Su; Wang, Dong-Yun; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei","Anti-parallel sheet structures of side-chain-free γ-, δ-, and ε-dipeptides stabilized by benzene–pentafluorobenzene stacking","CrystEngComm","2014","16","10","2078","","10.1039/c3ce42060d","","","0.71073","MoKα","","0.0886","0.0565","","","0.1549","0.175","","","","","","1.009","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213699","6.214","0.006","7.246","0.007","15.518","0.014","93.009","0.012","96.517","0.012","95.237","0.013","689.9","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H9 F5 N2 O2 -","- C15 H9 F5 N2 O2 -","- C30 H18 F10 N4 O4 -","2","1","","Wang, Ji-Liang; Xu, Jia-Su; Wang, Dong-Yun; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei","Anti-parallel sheet structures of side-chain-free γ-, δ-, and ε-dipeptides stabilized by benzene–pentafluorobenzene stacking","CrystEngComm","2014","16","10","2078","","10.1039/c3ce42060d","","","0.71073","MoKα","","0.1059","0.089","","","0.2421","0.2584","","","","","","1.091","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213700","18.85","0.003","9.519","0.0013","13.5917","0.0019","90","","100.231","0.002","90","","2400","0.6","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 F5 N3 O3 -","- C25 H28 F5 N3 O3 -","- C100 H112 F20 N12 O12 -","4","1","","Wang, Ji-Liang; Xu, Jia-Su; Wang, Dong-Yun; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei","Anti-parallel sheet structures of side-chain-free γ-, δ-, and ε-dipeptides stabilized by benzene–pentafluorobenzene stacking","CrystEngComm","2014","16","10","2078","","10.1039/c3ce42060d","","","0.71073","MoKα","","0.0922","0.0811","","","0.3056","0.3173","","","","","","1.233","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213701","8.796","0.0009","20.174","0.002","10.7947","0.0012","90","","105.704","0.003","90","","1844","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 F5 N2 O2 -","- C19 H17 F5 N2 O2 -","- C76 H68 F20 N8 O8 -","4","1","","Wang, Ji-Liang; Xu, Jia-Su; Wang, Dong-Yun; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei","Anti-parallel sheet structures of side-chain-free γ-, δ-, and ε-dipeptides stabilized by benzene–pentafluorobenzene stacking","CrystEngComm","2014","16","10","2078","","10.1039/c3ce42060d","","","0.71073","MoKα","","0.0858","0.0463","","","0.1133","0.1318","","","","","","1.013","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213702","6.235","0.004","7.257","0.005","32.88","0.02","87.826","0.013","89.408","0.012","84.552","0.013","1479.9","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 F5 N2 O2 -","- C16 H11 F5 N2 O2 -","- C64 H44 F20 N8 O8 -","4","2","","Wang, Ji-Liang; Xu, Jia-Su; Wang, Dong-Yun; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei","Anti-parallel sheet structures of side-chain-free γ-, δ-, and ε-dipeptides stabilized by benzene–pentafluorobenzene stacking","CrystEngComm","2014","16","10","2078","","10.1039/c3ce42060d","","","0.71073","MoKα","","0.0885","0.0749","","","0.222","0.2331","","","","","","1.082","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213703","5.352","0.006","7.971","0.008","12.471","0.013","73.23","0.02","79.202","0.019","89.85","0.02","499.6","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","","Wang, Ji-Liang; Xu, Jia-Su; Wang, Dong-Yun; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei","Anti-parallel sheet structures of side-chain-free γ-, δ-, and ε-dipeptides stabilized by benzene–pentafluorobenzene stacking","CrystEngComm","2014","16","10","2078","","10.1039/c3ce42060d","","","0.71073","MoKα","","0.084","0.0646","","","0.177","0.1886","","","","","","0.96","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213704","16.8272","0.0018","9.5857","0.001","13.9962","0.0014","90","","91.955","0.002","90","","2256.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 F5 N3 O3 -","- C23 H24 F5 N3 O3 -","- C92 H96 F20 N12 O12 -","4","1","","Wang, Ji-Liang; Xu, Jia-Su; Wang, Dong-Yun; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei","Anti-parallel sheet structures of side-chain-free γ-, δ-, and ε-dipeptides stabilized by benzene–pentafluorobenzene stacking","CrystEngComm","2014","16","10","2078","","10.1039/c3ce42060d","","","0.71073","MoKα","","0.0704","0.0442","","","0.1268","0.1439","","","","","","0.982","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213705","5.434","0.004","9.157","0.007","24.3","0.019","90","","90","","90","","1209.1","1.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H6 F5 N O -","- C13 H6 F5 N O -","- C52 H24 F20 N4 O4 -","4","1","","Wang, Ji-Liang; Xu, Jia-Su; Wang, Dong-Yun; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei","Anti-parallel sheet structures of side-chain-free γ-, δ-, and ε-dipeptides stabilized by benzene–pentafluorobenzene stacking","CrystEngComm","2014","16","10","2078","","10.1039/c3ce42060d","","","0.71073","MoKα","","0.0454","0.0377","","","0.1027","0.1093","","","","","","1.026","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213706","24.102","0.002","11.0566","0.0009","21.667","0.002","90","","90.299","0.003","90","","5773.9","0.9","223","2","223","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C16 H48 Ag2 I9 La O8 Pb2 S8 -","- C16 H48 Ag2 I9 La O8 Pb2 S8 -","- C64 H192 Ag8 I36 La4 O32 Pb8 S32 -","4","0.5","","Tang, Chunying; Wang, Fang; Jia, Dingxian; Jiang, Wenqing; Zhang, Yong","Syntheses and characterizations of polymeric silver iodoplumbates, and iodoplumbates with lanthanide complexes","CrystEngComm","2014","16","10","2016","","10.1039/c3ce41759j","","","0.71073","MoKα","","0.0653","0.0573","","","0.1472","0.1529","","","","","","1.042","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213707","10.6777","0.001","24.857","0.002","22.051","0.002","90","","90","","90","","5852.7","0.9","223","2","223","2","","","","","","","","8","C c c m","-C 2 2c","66","","","","- C16 H48 Ag2 Gd I9 O8 Pb2 S8 -","- C16 Ag2 Gd I9 O8 Pb2 S8 -","- C64 Ag8 Gd4 I36 O32 Pb8 S32 -","4","0.25","","Tang, Chunying; Wang, Fang; Jia, Dingxian; Jiang, Wenqing; Zhang, Yong","Syntheses and characterizations of polymeric silver iodoplumbates, and iodoplumbates with lanthanide complexes","CrystEngComm","2014","16","10","2016","","10.1039/c3ce41759j","","","0.71073","MoKα","","0.077","0.0557","","","0.1573","0.1796","","","","","","1.047","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213708","10.717","0.002","24.883","0.005","21.972","0.004","90","","90","","90","","5859.3","1.9","293","2","293","2","","","","","","","","8","C c c m","-C 2 2c","66","","","","- C16 H48 Ag2 I9 O8 Pb2 S8 Tm -","- C16 Ag2 I9 O8 Pb2 S8 Tm -","- C64 Ag8 I36 O32 Pb8 S32 Tm4 -","4","0.25","","Tang, Chunying; Wang, Fang; Jia, Dingxian; Jiang, Wenqing; Zhang, Yong","Syntheses and characterizations of polymeric silver iodoplumbates, and iodoplumbates with lanthanide complexes","CrystEngComm","2014","16","10","2016","","10.1039/c3ce41759j","","","0.71073","MoKα","","0.0641","0.0561","","","0.1022","0.1048","","","","","","1.278","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213709","18.634","0.003","15.6835","0.0017","24.675","0.003","90","","107.995","0.003","90","","6858.4","1.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H54 I11 La O9 Pb4 S9 -","- C18 H30 I11 La O9 Pb4 S9 -","- C72 H120 I44 La4 O36 Pb16 S36 -","4","1","","Tang, Chunying; Wang, Fang; Jia, Dingxian; Jiang, Wenqing; Zhang, Yong","Syntheses and characterizations of polymeric silver iodoplumbates, and iodoplumbates with lanthanide complexes","CrystEngComm","2014","16","10","2016","","10.1039/c3ce41759j","","","0.71073","MoKα","","0.065","0.0428","","","0.0996","0.1205","","","","","","1.106","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213710","18.549","0.004","15.654","0.003","24.592","0.005","90","","107.85","0.03","90","","6797","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H54 I11 O9 Pb4 Pr S9 -","- C18 H24 I11 O9 Pb4 Pr S9 -","- C72 H96 I44 O36 Pb16 Pr4 S36 -","4","1","","Tang, Chunying; Wang, Fang; Jia, Dingxian; Jiang, Wenqing; Zhang, Yong","Syntheses and characterizations of polymeric silver iodoplumbates, and iodoplumbates with lanthanide complexes","CrystEngComm","2014","16","10","2016","","10.1039/c3ce41759j","","","0.71073","MoKα","","0.0683","0.0719","","","0.0938","0.1049","","","","","","1.11","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213711","18.6984","0.0019","15.5382","0.0012","24.498","0.003","90","","108.218","0.002","90","","6760.9","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H54 I11 Nd O9 Pb4 S9 -","- C18 H48 I11 Nd O9 Pb4 S9 -","- C72 H192 I44 Nd4 O36 Pb16 S36 -","4","1","","Tang, Chunying; Wang, Fang; Jia, Dingxian; Jiang, Wenqing; Zhang, Yong","Syntheses and characterizations of polymeric silver iodoplumbates, and iodoplumbates with lanthanide complexes","CrystEngComm","2014","16","10","2016","","10.1039/c3ce41759j","","","0.71073","MoKα","","0.0506","0.0328","","","0.0626","0.0909","","","","","","1.111","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213712","7.2256","0.0002","11.6583","0.0004","12.7817","0.0004","90","","90","","90","","1076.71","0.06","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- B5 Cs2 Li3 O10 -","- B5 Cs2 Li3 O10 -","- B20 Cs8 Li12 O40 -","4","0.5","","Yang, Yun; Su, Xin; Pan, Shilie; Zhang, Min; Wang, Ying; Han, Jian; Yang, Zhihua","Crystal growth and calculation of the electronic band structure and density of states of Li3Cs2B5O10","CrystEngComm","2014","16","10","1978","","10.1039/c3ce42084a","","","0.71073","MoKα","","0.0248","0.0246","","","0.0586","0.0587","","","","","","1.036","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213713","18.4648","0.001","18.9507","0.001","12.1406","0.0007","90","","114.522","0.001","90","","3865.1","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Cu2 I2 N4 -","- C16 H20 Cu2 I2 N4 -","- C128 H160 Cu16 I16 N32 -","8","1","","Yuan, Shuai; Liu, Shan-Shan; Sun, Di","Two isomeric [Cu4I4] luminophores: solvothermal/mechanochemical syntheses, structures and thermochromic luminescence properties","CrystEngComm","2014","16","10","1927","","10.1039/c3ce42195c","","","0.71073","MoKα","","0.0608","0.0589","","","0.1832","0.1856","","","","","","1.089","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213714","18.4469","0.001","18.9875","0.0011","12.1745","0.0007","90","","114.546","0.001","90","","3878.9","0.4","160","2","160","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Cu2 I2 N4 -","- C16 H20 Cu2 I2 N4 -","- C128 H160 Cu16 I16 N32 -","8","1","","Yuan, Shuai; Liu, Shan-Shan; Sun, Di","Two isomeric [Cu4I4] luminophores: solvothermal/mechanochemical syntheses, structures and thermochromic luminescence properties","CrystEngComm","2014","16","10","1927","","10.1039/c3ce42195c","","","0.71073","MoKα","","0.0582","0.0548","","","0.1711","0.1777","","","","","","1.069","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213715","18.4558","0.0011","19.0332","0.0011","12.2097","0.0008","90","","114.555","0.001","90","","3901.1","0.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Cu2 I2 N4 -","- C16 H20 Cu2 I2 N4 -","- C128 H160 Cu16 I16 N32 -","8","1","","Yuan, Shuai; Liu, Shan-Shan; Sun, Di","Two isomeric [Cu4I4] luminophores: solvothermal/mechanochemical syntheses, structures and thermochromic luminescence properties","CrystEngComm","2014","16","10","1927","","10.1039/c3ce42195c","","","0.71073","MoKα","","0.0507","0.0475","","","0.1356","0.1383","","","","","","1.088","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213716","18.4183","0.0015","19.1626","0.0016","12.278","0.001","90","","114.633","0.001","90","","3939.1","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Cu2 I2 N4 -","- C16 H20 Cu2 I2 N4 -","- C128 H160 Cu16 I16 N32 -","8","1","","Yuan, Shuai; Liu, Shan-Shan; Sun, Di","Two isomeric [Cu4I4] luminophores: solvothermal/mechanochemical syntheses, structures and thermochromic luminescence properties","CrystEngComm","2014","16","10","1927","","10.1039/c3ce42195c","","","0.71073","MoKα","","0.0339","0.0262","","","0.062","0.0654","","","","","","1.034","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213717","17.9843","0.0018","14.9569","0.0014","22.464","0.002","90","","111.631","0.002","90","","5617","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 Cu2 I2 N6 -","- C24 H30 Cu2 I2 N6 -","- C192 H240 Cu16 I16 N48 -","8","1","","Yuan, Shuai; Liu, Shan-Shan; Sun, Di","Two isomeric [Cu4I4] luminophores: solvothermal/mechanochemical syntheses, structures and thermochromic luminescence properties","CrystEngComm","2014","16","10","1927","","10.1039/c3ce42195c","","","0.71073","MoKα","","0.0818","0.0445","","","0.08","0.091","","","","","","0.856","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213718","8.156","0.0002","10.4612","0.0003","12.4373","0.0004","70.127","0.001","84.695","0.002","79.552","0.002","980.88","0.05","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 Cl4 Cu2 N8 O20 -","- C32 H28 Cl4 Cu2 N8 O20 -","- C32 H28 Cl4 Cu2 N8 O20 -","1","0.5","","Golenya, Irina A.; Gumienna-Kontecka, Elzbieta; Haukka, Matti; Korsun, Oleksandr M.; Kalugin, Oleg N.; Fritsky, Igor O.","Copper(ii) complexes of 3- and 4-picolinehydroxamic acids: from mononuclear compounds to 1D- and 2D-coordination polymers","CrystEngComm","2014","16","10","1904","","10.1039/c3ce42343c","","","0.71073","MoKα","","0.0449","0.0323","","","0.073","0.0781","","","","","","1.062","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213719","7.9852","0.0003","24.5926","0.0011","9.3471","0.0004","90","","100.87","0.003","90","","1802.62","0.13","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Cl Cu N4 O6 -","- C18 H13 Cl Cu N4 O6 -","- C72 H52 Cl4 Cu4 N16 O24 -","4","1","","Golenya, Irina A.; Gumienna-Kontecka, Elzbieta; Haukka, Matti; Korsun, Oleksandr M.; Kalugin, Oleg N.; Fritsky, Igor O.","Copper(ii) complexes of 3- and 4-picolinehydroxamic acids: from mononuclear compounds to 1D- and 2D-coordination polymers","CrystEngComm","2014","16","10","1904","","10.1039/c3ce42343c","","","0.71073","MoKα","","0.0793","0.0579","","","0.1444","0.1582","","","","","","1.021","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7213720","13.4187","0.0006","12.5647","0.0006","21.7018","0.0005","90","","100.669","0.003","90","","3595.7","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H82 Cu4 N16 O25 -","- C64 H82 Cu4 N16 O25 -","- C128 H164 Cu8 N32 O50 -","2","0.5","","Golenya, Irina A.; Gumienna-Kontecka, Elzbieta; Haukka, Matti; Korsun, Oleksandr M.; Kalugin, Oleg N.; Fritsky, Igor O.","Copper(ii) complexes of 3- and 4-picolinehydroxamic acids: from mononuclear compounds to 1D- and 2D-coordination polymers","CrystEngComm","2014","16","10","1904","","10.1039/c3ce42343c","","","0.71073","MoKα","","0.106","0.0548","","","0.1105","0.1289","","","","","","1.046","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213721","8.7094","0.0003","9.5978","0.0003","10.6996","0.0003","96.294","0.002","102.423","0.002","95.889","0.002","860.82","0.05","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H17 Cl Cu N2 O8 S2 -","- C10 H17 Cl Cu N2 O8 S2 -","- C20 H34 Cl2 Cu2 N4 O16 S4 -","2","1","","Golenya, Irina A.; Gumienna-Kontecka, Elzbieta; Haukka, Matti; Korsun, Oleksandr M.; Kalugin, Oleg N.; Fritsky, Igor O.","Copper(ii) complexes of 3- and 4-picolinehydroxamic acids: from mononuclear compounds to 1D- and 2D-coordination polymers","CrystEngComm","2014","16","10","1904","","10.1039/c3ce42343c","","","0.71073","MoKα","","0.0511","0.0335","","","0.0778","0.0847","","","","","","1.025","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213722","10.9002","0.0003","12.4076","0.0004","12.8803","0.0002","90","","98.5","0.002","90","","1722.87","0.08","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 Cl Cu N2 O8 S2 -","- C10 H17 Cl Cu N2 O8 S2 -","- C40 H68 Cl4 Cu4 N8 O32 S8 -","4","1","","Golenya, Irina A.; Gumienna-Kontecka, Elzbieta; Haukka, Matti; Korsun, Oleksandr M.; Kalugin, Oleg N.; Fritsky, Igor O.","Copper(ii) complexes of 3- and 4-picolinehydroxamic acids: from mononuclear compounds to 1D- and 2D-coordination polymers","CrystEngComm","2014","16","10","1904","","10.1039/c3ce42343c","","","0.71073","MoKα","","0.0435","0.0318","","","0.0711","0.076","","","","","","1.063","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213723","16.1013","0.0004","12.1614","0.0002","18.9485","0.0005","90","","90","","90","","3710.39","0.15","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H13 Cl Cu N4 O6 -","- C18 H13 Cl Cu N4 O6 -","- C144 H104 Cl8 Cu8 N32 O48 -","8","1","","Golenya, Irina A.; Gumienna-Kontecka, Elzbieta; Haukka, Matti; Korsun, Oleksandr M.; Kalugin, Oleg N.; Fritsky, Igor O.","Copper(ii) complexes of 3- and 4-picolinehydroxamic acids: from mononuclear compounds to 1D- and 2D-coordination polymers","CrystEngComm","2014","16","10","1904","","10.1039/c3ce42343c","","","0.71073","MoKα","","0.0578","0.0419","","","0.1155","0.1275","","","","","","1.079","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213724","14.1287","0.0007","8.6553","0.0003","15.737","0.0008","90","","110.535","0.002","90","","1802.17","0.14","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cl2 Cu N4 O12 -","- C12 H12 Cl2 Cu N4 O12 -","- C48 H48 Cl8 Cu4 N16 O48 -","4","0.5","","Golenya, Irina A.; Gumienna-Kontecka, Elzbieta; Haukka, Matti; Korsun, Oleksandr M.; Kalugin, Oleg N.; Fritsky, Igor O.","Copper(ii) complexes of 3- and 4-picolinehydroxamic acids: from mononuclear compounds to 1D- and 2D-coordination polymers","CrystEngComm","2014","16","10","1904","","10.1039/c3ce42343c","","","0.71073","MoKα","","0.0404","0.0323","","","0.0857","0.0912","","","","","","1.059","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213725","27.908","0.005","27.908","0.005","6.521","0.005","90","0.005","90","0.005","90","0.005","5079","4","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C28 H32 N2 O2 -","- C28 H32 N2 O2 -","- C224 H256 N16 O16 -","8","0.5","","Zhang, Ruilong; Zhang, Qiong; Liu, Zhaodi; Yang, Longmei; Wu, Jieying; Zhou, Hongping; Yang, Jiaxiang; Tian, Yupeng","Two polymorphs and cocrystal of styryl-pyridine derivatives with tuned emission induced by Co2+ and Zn(phen)32+","CrystEngComm","2014","16","10","2039","","10.1039/c3ce42069h","","","0.71069","MoKα","","0.1679","0.0749","","","0.1921","0.2462","","","","","","1.141","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213726","8.5234","0.0015","10.7419","0.0019","14.505","0.003","73.507","0.002","83.091","0.002","76.901","0.002","1238","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H32 N2 O2 -","- C28 H32 N2 O2 -","- C56 H64 N4 O4 -","2","1","","Zhang, Ruilong; Zhang, Qiong; Liu, Zhaodi; Yang, Longmei; Wu, Jieying; Zhou, Hongping; Yang, Jiaxiang; Tian, Yupeng","Two polymorphs and cocrystal of styryl-pyridine derivatives with tuned emission induced by Co2+ and Zn(phen)32+","CrystEngComm","2014","16","10","2039","","10.1039/c3ce42069h","","","0.71073","MoKα","","0.1809","0.0943","","","0.2441","0.3201","","","","","","1.059","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213727","10.976","0.005","12.928","0.005","18.049","0.005","90.231","0.005","92.082","0.005","113.369","0.005","2349","1.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H40 Cl2 N7 O9 Zn -","- C50 H40 Cl2 N7 O9 Zn -","- C100 H80 Cl4 N14 O18 Zn2 -","2","1","","Zhang, Ruilong; Zhang, Qiong; Liu, Zhaodi; Yang, Longmei; Wu, Jieying; Zhou, Hongping; Yang, Jiaxiang; Tian, Yupeng","Two polymorphs and cocrystal of styryl-pyridine derivatives with tuned emission induced by Co2+ and Zn(phen)32+","CrystEngComm","2014","16","10","2039","","10.1039/c3ce42069h","","","0.71069","MoKα","","0.1143","0.0731","","","0.2088","0.2326","","","","","","1.325","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213728","12.0653","0.0005","29.4244","0.0012","7.6893","0.0003","90","","90","","90","","2729.81","0.19","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Hup A Form H2","","","- C15 H20 N2 O2 -","- C15 H18 N2 O1.9435 -","- C120 H144 N16 O15.548 -","8","2","","Zhang, Qi; Lu, Liye; Dai, Wenjuan; Mei, Xuefeng","Polymorphism and isomorphism of Huperzine A solvates: structure, properties and form transformation","CrystEngComm","2014","16","10","1919","","10.1039/c3ce41965g","","","0.71073","MoKα","","0.1092","0.0497","","","0.0793","0.0912","","","","","","0.827","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213729","14.7583","0.0014","29.841","0.003","7.5013","0.0008","90","","90","","90","","3303.6","0.6","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Hup A Form S1","","","- C17.5 H24 N2 O1.5 -","- C17.5 H24 N2 O1.5 -","- C140 H192 N16 O12 -","8","2","","Zhang, Qi; Lu, Liye; Dai, Wenjuan; Mei, Xuefeng","Polymorphism and isomorphism of Huperzine A solvates: structure, properties and form transformation","CrystEngComm","2014","16","10","1919","","10.1039/c3ce41965g","","","0.71073","MoKα","","0.0879","0.0575","","","0.1286","0.143","","","","","","0.995","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213730","8.0666","0.0006","16.294","0.0012","12.7096","0.001","90","","94.054","0.004","90","","1666.3","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Hup A Form S4","","","- C18 H25 N2 O -","- C18 H25 N2 O -","- C72 H100 N8 O4 -","4","2","","Zhang, Qi; Lu, Liye; Dai, Wenjuan; Mei, Xuefeng","Polymorphism and isomorphism of Huperzine A solvates: structure, properties and form transformation","CrystEngComm","2014","16","10","1919","","10.1039/c3ce41965g","","","0.71073","MoKα","","0.0433","0.0422","","","0.1168","0.1186","","","","","","1.042","","","","has coordinates,has disorder","301864","2025-08-22","15:14:32",""
"7213731","12.1","0.002","29.76","0.006","7.7","0.0015","90","","90","","90","","2772.7","0.9","273","2","273","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Hup A Form s3","","","- C15.25 H18.75 N2.25 O1.5 -","- C15.25 H18.75 N2.25 O1.5 -","- C122 H150 N18 O12 -","8","2","","Zhang, Qi; Lu, Liye; Dai, Wenjuan; Mei, Xuefeng","Polymorphism and isomorphism of Huperzine A solvates: structure, properties and form transformation","CrystEngComm","2014","16","10","1919","","10.1039/c3ce41965g","","","0.71073","MoKα","","0.0821","0.056","","","0.1505","0.1681","","","","","","1.023","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213732","19.9216","0.0004","7.4733","0.0001","15.2146","0.0003","90","","130.274","0.001","90","","1728.22","0.06","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","Hup A Form S2","","","- C19 H26 N2 O2 -","- C19 H26 N2 O2 -","- C76 H104 N8 O8 -","4","1","","Zhang, Qi; Lu, Liye; Dai, Wenjuan; Mei, Xuefeng","Polymorphism and isomorphism of Huperzine A solvates: structure, properties and form transformation","CrystEngComm","2014","16","10","1919","","10.1039/c3ce41965g","","","0.71073","MoKα","","0.0369","0.0361","","","0.1011","0.102","","","","","","1.053","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213733","11.1699","0.0002","14.0489","0.0003","27.7447","0.0003","102.364","0.001","97.794","0.001","100.39","0.002","4113.77","0.13","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H63 Cl Cu5 I4 N6 O25 Sm3 -","- C74 Cl Cu5 I4 N6 O25 Sm3 -","- C148 Cl2 Cu10 I8 N12 O50 Sm6 -","2","1","","Fang, Wei-Hui; Yang, Guo-Yu","Constructing heterometallic frameworks with highly connected topology based on edge-to-edge hexanuclear lanthanide clusters","CrystEngComm","2014","16","10","1885","","10.1039/c3ce42224k","","","1.54178","CuKα","","0.0881","0.076","","","0.2019","0.2164","","","","","","0.991","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213734","11.2148","0.0002","17.3605","0.0002","26.9709","0.0005","84.067","0.001","85.012","0.002","71.92","0.002","4956.7","0.15","293","2","293","2","","","","","","","","8","P 1","P 1","1","","","","- C168 H142 Cl2 Cu14 I12 N14 O53 Sm6 -","- C168 Cl2 Cu14 I12 N14 O53 Sm6 -","- C168 Cl2 Cu14 I12 N14 O53 Sm6 -","1","1","","Fang, Wei-Hui; Yang, Guo-Yu","Constructing heterometallic frameworks with highly connected topology based on edge-to-edge hexanuclear lanthanide clusters","CrystEngComm","2014","16","10","1885","","10.1039/c3ce42224k","","","0.71073","MoKα","","0.0534","0.0475","","","0.1328","0.1382","","","","","","1.026","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213735","10.6782","0.0002","8.3255","0.0001","20.312","0.0005","90","","105.218","0.003","90","","1742.44","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>N</i>-(2-Ethyl-1,1-dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(3-nitro-benzylidene)-hydrazine","<i>N</i>-(2-Ethyl-1,1-dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(3-nitro-benzylidene)-hydrazine","","- C17 H16 N4 O4 S -","- C17 H16 N4 O4 S -","- C68 H64 N16 O16 S4 -","4","1","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.0397","0.0366","","","0.1008","0.1048","","","","","","1.039","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213736","14.3069","0.0003","7.0786","0.0002","14.4568","0.0006","90","","91.803","0.002","90","","1463.36","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(2-methyl-benzylidene)-hydrazine","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(2-methyl-benzylidene)-hydrazine","","- C16 H15 N3 O2 S -","- C16 H15 N3 O2 S -","- C64 H60 N12 O8 S4 -","4","1","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.0352","0.0334","","","0.0975","0.0995","","","","","","1.07","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213737","7.317","0.0001","13.0149","0.0002","16.1806","0.0002","90","","90","","90","","1540.88","0.04","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methyl-benzylidene)-hydrazine","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methyl-benzylidene)-hydrazine","","- C16 H15 N3 O2 S -","- C16 H15 N3 O2 S -","- C64 H60 N12 O8 S4 -","4","1","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.029","0.0275","","","0.0756","0.0772","","","","","","1.065","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213738","8.1464","0.0003","8.3969","0.0003","11.1659","0.0004","86.728","0.003","84.54","0.003","86.4","0.003","757.83","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(3-methyl-benzylidene)-hydrazine","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(3-methyl-benzylidene)-hydrazine","","- C16 H15 N3 O2 S -","- C16 H15 N3 O2 S -","- C32 H30 N6 O4 S2 -","2","1","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.0388","0.0346","","","0.1022","0.1081","","","","","","0.972","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213739","26.6368","0.001","7.1909","0.0002","8.6143","0.0003","90","","112.741","0.004","90","","1521.74","0.1","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methoxy-benzylidene)-hydrazine","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(3-methyl-benzylidene)-hydrazine","","- C16 H15 N3 O3 S -","- C16 H15 N3 O3 S -","- C64 H60 N12 O12 S4 -","4","2","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.0517","0.0419","","","0.1273","0.1377","","","","","","1.043","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213740","14.1043","0.0002","8.4919","0.0001","28.3452","0.0004","90","","93.671","0.002","90","","3388","0.08","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4-[(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1l6-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-hydrazonomethyl]-2-ethoxy-phenol","4-[(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1l6-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-hydrazonomethyl]-2-ethoxy-phenol","","- C18 H19 N3 O3 S -","- C18 H19 N3 O3 S -","- C144 H152 N24 O24 S8 -","8","1","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.062","0.06","","","0.1888","0.1915","","","","","","1.048","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213741","6.6454","0.0001","10.9886","0.0002","21.2138","0.0004","90","","90","","90","","1549.11","0.05","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(2-methoxy-benzylidene)-hydrazine","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(2-methoxy-benzylidene)-hydrazine","","- C16 H15 N3 O3 S -","- C16 H15 N3 O3 S -","- C64 H60 N12 O12 S4 -","4","1","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.0308","0.0297","","","0.0806","0.0818","","","","","","0.922","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213742","8.2437","0.0004","9.5959","0.0005","11.1377","0.0006","95.383","0.004","107.003","0.004","112.475","0.005","757.18","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(3-methoxy-benzylidene)-hydrazine","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(3-methoxy-benzylidene)-hydrazine","","- C16 H15 N3 O3 S -","- C16 H15 N3 O3 S -","- C32 H30 N6 O6 S2 -","2","1","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.0373","0.0348","","","0.0991","0.1024","","","","","","0.962","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213743","8.4612","0.0003","8.35","0.0003","24.9103","0.0009","90","","94.49","0.003","90","","1754.54","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","<i>N</i>-(2-Ethyl-1,1-dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methyl-benzylidene)-hydrazine","<i>N</i>-(2-Ethyl-1,1-dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methyl-benzylidene)-hydrazine","","- C18 H19 N3 O2 S -","- C18 H19 N3 O2 S -","- C72 H76 N12 O8 S4 -","4","1","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.0608","0.0533","","","0.1526","0.1637","","","","","","1.041","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213744","8.5087","0.0005","9.0853","0.0006","19.3952","0.0008","89.564","0.004","79.817","0.004","73.739","0.006","1415.28","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","<i>N</i>-(2-Ethyl-1,1-dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methyl-benzylidene)-hydrazine","<i>N</i>-(2-Ethyl-1,1-dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methyl-benzylidene)-hydrazine","","- C15 H13 N3 O2 S -","- C15 H13 N3 O2 S -","- C60 H52 N12 O8 S4 -","4","2","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.1163","0.0851","","","0.2201","0.2664","","","","","","1.05","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213745","6.3407","0.0001","16.6106","0.0004","14.4754","0.0003","90","","90","","90","","1524.59","0.05","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","<i>N</i>-(2-Ethyl-1,1-dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methyl-benzylidene)-hydrazine","<i>N</i>-(2-Ethyl-1,1-dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methyl-benzylidene)-hydrazine","","- C15 H12 Br N3 O2 S -","- C15 H12 Br N3 O2 S -","- C60 H48 Br4 N12 O8 S4 -","4","1","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.057","0.0565","","","0.1507","0.152","","","","","","1.039","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213746","9.215","0.0003","18.8491","0.0005","10.429","0.0003","90","","100.392","0.003","90","","1781.75","0.09","284","2","284","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Cu F6 N12 O6 S4 -","- C28 H24 Cu F6 N12 O6 S4 -","- C56 H48 Cu2 F12 N24 O12 S8 -","2","0.5","","Ma, Jian-Ping; Liu, Shao-Chen; Zhao, Chao-Wei; Zhang, Xiao-Meng; Sun, Chuan-Zhi; Dong, Yu-Bin","Reversible visual thermochromic coordination polymers via single-crystal-to-single-crystal transformation","CrystEngComm","2014","16","3","304","","10.1039/c3ce41886c","","","0.71073","MoKα","","0.0441","0.0333","","","0.0725","0.0781","","","","","","1.048","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213747","9.2224","0.0007","18.8786","0.0013","10.4661","0.0008","90","","100.366","0.007","90","","1792.5","0.2","323","2","323","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Cu F6 N12 O6 S4 -","- C28 H24 Cu F6 N12 O6 S4 -","- C56 H48 Cu2 F12 N24 O12 S8 -","2","0.5","","Ma, Jian-Ping; Liu, Shao-Chen; Zhao, Chao-Wei; Zhang, Xiao-Meng; Sun, Chuan-Zhi; Dong, Yu-Bin","Reversible visual thermochromic coordination polymers via single-crystal-to-single-crystal transformation","CrystEngComm","2014","16","3","304","","10.1039/c3ce41886c","","","0.71073","MoKα","","0.0754","0.0434","","","0.0823","0.0996","","","","","","1.081","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213748","9.2249","0.0009","18.8564","0.0013","10.4413","0.0011","90","","100.292","0.01","90","","1787","0.3","353","2","353","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Cu F6 N12 O6 S4 -","- C28 H24 Cu F6 N12 O6 S4 -","- C56 H48 Cu2 F12 N24 O12 S8 -","2","0.5","","Ma, Jian-Ping; Liu, Shao-Chen; Zhao, Chao-Wei; Zhang, Xiao-Meng; Sun, Chuan-Zhi; Dong, Yu-Bin","Reversible visual thermochromic coordination polymers via single-crystal-to-single-crystal transformation","CrystEngComm","2014","16","3","304","","10.1039/c3ce41886c","","","0.71073","MoKα","","0.0689","0.0444","","","0.0874","0.1007","","","","","","1.079","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213749","9.2121","0.0008","18.8386","0.0013","10.4187","0.001","90","","100.408","0.009","90","","1778.3","0.3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Cu F6 N12 O6 S4 -","- C28 H24 Cu F6 N12 O6 S4 -","- C56 H48 Cu2 F12 N24 O12 S8 -","2","0.5","","Ma, Jian-Ping; Liu, Shao-Chen; Zhao, Chao-Wei; Zhang, Xiao-Meng; Sun, Chuan-Zhi; Dong, Yu-Bin","Reversible visual thermochromic coordination polymers via single-crystal-to-single-crystal transformation","CrystEngComm","2014","16","3","304","","10.1039/c3ce41886c","","","0.71073","MoKα","","0.0853","0.0488","","","0.0847","0.1047","","","","","","1.06","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213750","8.4724","0.0015","9.3461","0.0017","11.4906","0.0019","82.012","0.002","76.92","0.002","69.835","0.002","830.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H7 N4 O8 Zn2 -","- C15 H7 N4 O8 Zn2 -","- C30 H14 N8 O16 Zn4 -","2","1","","He, Hongming; Sun, Fuxing; Su, Hongmin; Jia, Jiangtao; Li, Qin; Zhu, Guangshan","Syntheses, structures and luminescence properties of three metal‒organic frameworks based on 5-(4-(2H-tetrazol-5-yl)phenoxy)isophthalic acid","CrystEngComm","2014","16","3","339","","10.1039/c3ce41764f","","","0.71073","MoKα","","0.0399","0.0382","","","0.1037","0.1049","","","","","","1.082","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213751","9.1794","0.0009","9.46","0.0009","11.1538","0.001","90.726","0.001","100.252","0.001","105.265","0.001","917.66","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H7 Cd2 N4 O9 -","- C15 H7 Cd2 N4 O9 -","- C30 H14 Cd4 N8 O18 -","2","1","","He, Hongming; Sun, Fuxing; Su, Hongmin; Jia, Jiangtao; Li, Qin; Zhu, Guangshan","Syntheses, structures and luminescence properties of three metal‒organic frameworks based on 5-(4-(2H-tetrazol-5-yl)phenoxy)isophthalic acid","CrystEngComm","2014","16","3","339","","10.1039/c3ce41764f","","","0.71073","MoKα","","0.031","0.0244","","","0.057","0.0604","","","","","","1.034","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213752","9.117","0.016","9.452","0.016","10.914","0.019","97.53","0.03","92.11","0.02","103.25","0.03","905","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H7 Co2 N4 O9 -","- C15 H7 Co2 N4 O9 -","- C30 H14 Co4 N8 O18 -","2","1","","He, Hongming; Sun, Fuxing; Su, Hongmin; Jia, Jiangtao; Li, Qin; Zhu, Guangshan","Syntheses, structures and luminescence properties of three metal‒organic frameworks based on 5-(4-(2H-tetrazol-5-yl)phenoxy)isophthalic acid","CrystEngComm","2014","16","3","339","","10.1039/c3ce41764f","","","0.71073","MoKα","","0.0877","0.0603","","","0.1572","0.1768","","","","","","1.022","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213753","12.9517","0.0017","14.733","0.002","20.052","0.003","90","","129.256","0.008","90","","2962.8","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Cu3 N28 O2 -","- C30 H30 Cu3 N28 O2 -","- C60 H60 Cu6 N56 O4 -","2","0.5","","Goswami, Soumyabrata; Sanda, Suresh; Konar, Sanjit","A porous metal organic framework with a bcu-type topology involving in situ ligand formation ‒ synthesis, structure, magnetic property and gas adsorption studies","CrystEngComm","2014","16","3","369","","10.1039/c3ce41612g","","","0.71073","MoKα","","0.1281","0.0634","","","0.1371","0.1537","","","","","","0.905","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213754","9.4435","0.0004","11.7657","0.0005","14.9918","0.0007","110.335","0.002","90.018","0.002","93.142","0.002","1559.23","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 F6 La2 O20 P6 -","- C18 H22 F6 La2 O20 P6 -","- C36 H44 F12 La4 O40 P12 -","2","1","","Vilela, Sérgio M. F.; Fernandes, José A.; Ananias, Duarte; Carlos, Luís D.; Rocha, João; Tomé, João P. C.; Almeida Paz, Filipe A.","Photoluminescent layered lanthanide‒organic framework based on a novel trifluorotriphosphonate organic linker","CrystEngComm","2014","16","3","344","","10.1039/c3ce41482e","","","0.71073","MoKα","","0.0805","0.0512","","","0.1148","0.1266","","","","","","1.083","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213755","9.7829","0.0005","9.9524","0.0005","17.051","0.0009","90","","100.424","0.002","90","","1632.74","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H16 F3 O11 P3 -","- C9 H16 F3 O11 P3 -","- C36 H64 F12 O44 P12 -","4","1","","Vilela, Sérgio M. F.; Fernandes, José A.; Ananias, Duarte; Carlos, Luís D.; Rocha, João; Tomé, João P. C.; Almeida Paz, Filipe A.","Photoluminescent layered lanthanide–organic framework based on a novel trifluorotriphosphonate organic linker","CrystEngComm","2014","16","3","344","","10.1039/c3ce41482e","","","0.71073","MoKα","","0.0449","0.0345","","","0.0924","0.0977","","","","","","1.054","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213756","8.1025","0.0003","8.7996","0.0003","14.951","0.0006","90","","90","","90","","1065.99","0.07","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H6 Cl3 F3 -","- C9 H6 Cl3 F3 -","- C36 H24 Cl12 F12 -","4","1","","Vilela, Sérgio M. F.; Fernandes, José A.; Ananias, Duarte; Carlos, Luís D.; Rocha, João; Tomé, João P. C.; Almeida Paz, Filipe A.","Photoluminescent layered lanthanide–organic framework based on a novel trifluorotriphosphonate organic linker","CrystEngComm","2014","16","3","344","","10.1039/c3ce41482e","","","0.71073","MoKα","","0.0399","0.0314","","","0.0671","0.0717","","","","","","1.042","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213757","10.3141","0.0006","10.5339","0.0006","15.0122","0.001","69.566","0.003","71.856","0.003","69.669","0.003","1399.25","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H36 F3 O9 P3 -","- C21 H36 F3 O9 P3 -","- C42 H72 F6 O18 P6 -","2","1","","Vilela, Sérgio M. F.; Fernandes, José A.; Ananias, Duarte; Carlos, Luís D.; Rocha, João; Tomé, João P. C.; Almeida Paz, Filipe A.","Photoluminescent layered lanthanide–organic framework based on a novel trifluorotriphosphonate organic linker","CrystEngComm","2014","16","3","344","","10.1039/c3ce41482e","","","0.71073","MoKα","","0.1017","0.052","","","0.1122","0.1298","","","","","","1.021","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213758","12.3512","0.0007","20.7502","0.0012","18.8896","0.0011","90","","90.759","0.001","90","","4840.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H31 Dy3 N2 O20 -","- C46 H31 Dy3 N2 O20 -","- C184 H124 Dy12 N8 O80 -","4","1","","Liu, Qing-Yan; Li, Yi-Lei; Wang, Yu-Ling; Liu, Cai-Ming; Ding, Li-Wen; Liu, Ying","Ionothermal synthesis of a 3D dysprosium‒1,4-benzenedicarboxylate framework based on the 1D rod-shaped dysprosium‒carboxylate building blocks exhibiting slow magnetization relaxation","CrystEngComm","2014","16","3","486","","10.1039/c3ce41624k","","","0.71073","MoKα","","0.0439","0.0256","","","0.0566","0.0647","","","","","","1.001","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213759","7.126","0.0014","10.736","0.002","10.971","0.002","60.99","0.03","89.03","0.03","86.86","0.03","732.9","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Naphthalene-perylene-7,7,8,8-tetracyanoquinodimethane complex","","- C42 H24 N4 -","- C42 H24 N4 -","- C42 H24 N4 -","1","0.5","","Dobrowolski, Michał A.; Garbarino, Gaston; Mezouar, Mohamed; Ciesielski, Arkadiusz; Cyrański, Michał K.","Structural diversities of charge transfer organic complexes. Focus on benzenoid hydrocarbons and 7,7,8,8-tetracyanoquinodimethane","CrystEngComm","2014","16","3","415","","10.1039/c3ce41703d","","","0.71073","MoKα","","0.0851","0.0509","","","0.1182","0.1394","","","","","","0.896","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213760","7.2362","0.0015","11.072","0.003","11.308","0.003","62.06","0.02","86.353","0.019","81.766","0.019","792.1","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Pyrene-perylene-7,7,8,8-tetracyanoquinodimethane complex","","- C48 H26 N4 -","- C48 H26 N4 -","- C48 H26 N4 -","1","0.5","","Dobrowolski, Michał A.; Garbarino, Gaston; Mezouar, Mohamed; Ciesielski, Arkadiusz; Cyrański, Michał K.","Structural diversities of charge transfer organic complexes. Focus on benzenoid hydrocarbons and 7,7,8,8-tetracyanoquinodimethane","CrystEngComm","2014","16","3","415","","10.1039/c3ce41703d","","","0.71073","MoKα","","0.1154","0.0903","","","0.2492","0.2735","","","","","","1.077","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213761","7.004","0.002","10.09","0.005","11.783","0.005","107.42","0.05","106.46","0.03","93.44","0.04","752.4","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Pyrene-7,7,8,8-tetracyanoquinodimethane complex (2:1)","","- C44 H24 N4 -","- C44 H24 N4 -","- C44 H24 N4 -","1","0.5","","Dobrowolski, Michał A.; Garbarino, Gaston; Mezouar, Mohamed; Ciesielski, Arkadiusz; Cyrański, Michał K.","Structural diversities of charge transfer organic complexes. Focus on benzenoid hydrocarbons and 7,7,8,8-tetracyanoquinodimethane","CrystEngComm","2014","16","3","415","","10.1039/c3ce41703d","","","0.71073","MoKα","","0.1418","0.0945","","","0.2292","0.2737","","","","","","0.977","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213762","6.9917","0.0014","10.069","0.002","14.671","0.003","90","","103.52","0.03","90","","1004.2","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Pyrene-7,7,8,8-tetracyanoquinodimethane complex","","- C28 H14 N4 -","- C28 H14 N4 -","- C56 H28 N8 -","2","0.5","","Dobrowolski, Michał A.; Garbarino, Gaston; Mezouar, Mohamed; Ciesielski, Arkadiusz; Cyrański, Michał K.","Structural diversities of charge transfer organic complexes. Focus on benzenoid hydrocarbons and 7,7,8,8-tetracyanoquinodimethane","CrystEngComm","2014","16","3","415","","10.1039/c3ce41703d","","","0.71073","MoKα","","0.0407","0.0337","","","0.0792","0.0823","","","","","","1.036","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213763","7.1533","0.0005","7.9721","0.0005","9.2258","0.0005","80.107","0.005","89.79","0.005","86.67","0.005","517.41","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Chrysene-7,7,8,8-tetracyanoquinodimethane complex","","- C30 H16 N4 -","- C30 H16 N4 -","- C30 H16 N4 -","1","0.5","","Dobrowolski, Michał A.; Garbarino, Gaston; Mezouar, Mohamed; Ciesielski, Arkadiusz; Cyrański, Michał K.","Structural diversities of charge transfer organic complexes. Focus on benzenoid hydrocarbons and 7,7,8,8-tetracyanoquinodimethane","CrystEngComm","2014","16","3","415","","10.1039/c3ce41703d","","","0.71073","MoKα","","0.0372","0.033","","","0.0887","0.0916","","","","","","1.088","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213764","6.7083","0.0009","8.0897","0.0012","9.118","0.002","101.212","0.016","97.72","0.015","99.521","0.012","471.54","0.15","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Phenanthrene-7,7,8,8-tetracyanoquinodimethane complex","","- C26 H14 N4 -","- C26 H14 N4 -","- C26 H14 N4 -","1","0.5","","Dobrowolski, Michał A.; Garbarino, Gaston; Mezouar, Mohamed; Ciesielski, Arkadiusz; Cyrański, Michał K.","Structural diversities of charge transfer organic complexes. Focus on benzenoid hydrocarbons and 7,7,8,8-tetracyanoquinodimethane","CrystEngComm","2014","16","3","415","","10.1039/c3ce41703d","","","0.71073","MoKα","","0.1716","0.0761","","","0.1763","0.2282","","","","","","0.967","","","","has coordinates,has disorder","301864","2025-08-22","15:14:32",""
"7213765","7.4928","0.001","7.8003","0.001","8.1026","0.0011","84.297","0.006","81.124","0.006","61.343","0.005","410.4","0.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Naphthalene-TCNQ complex","","- C22 H12 N4 -","- C22 H12 N4 -","- C22 H12 N4 -","1","0.5","","Dobrowolski, Michał A.; Garbarino, Gaston; Mezouar, Mohamed; Ciesielski, Arkadiusz; Cyrański, Michał K.","Structural diversities of charge transfer organic complexes. Focus on benzenoid hydrocarbons and 7,7,8,8-tetracyanoquinodimethane","CrystEngComm","2014","16","3","415","","10.1039/c3ce41703d","","","0.71073","MoKα","","0.035","0.0292","","","0.0795","0.0833","","","","","","1.054","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213766","7.9666","0.0016","9.4084","0.0019","9.6154","0.0019","89.66","0.03","71.19","0.03","69.77","0.03","635.6","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 Cu I N3 O -","- C12 H11 Cu I N3 O -","- C24 H22 Cu2 I2 N6 O2 -","2","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Zhang, Xian-Fa; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Self-assembly of [Cu3I2]- or [CuI]n-based (n = 2, 4, and ∞) coordination polymers from unsymmetrical bis(pyridyl) and in situ ligands: syntheses, structures, and properties","CrystEngComm","2014","16","3","359","","10.1039/c3ce41774c","","","0.71073","MoKα","","0.0945","0.0607","","","0.1218","0.1664","","","","","","1.078","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213767","23.0737","0.0014","11.5118","0.0007","16.6416","0.0009","90","","90","","90","","4420.3","0.4","295","2","295","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C42 H39 Cu3 I2 N4 P2 -","- C40 H36 Cu3 I2 N3 P2 -","- C160 H144 Cu12 I8 N12 P8 -","4","0.5","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Zhang, Xian-Fa; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Self-assembly of [Cu3I2]- or [CuI]n-based (n = 2, 4, and ∞) coordination polymers from unsymmetrical bis(pyridyl) and in situ ligands: syntheses, structures, and properties","CrystEngComm","2014","16","3","359","","10.1039/c3ce41774c","","","0.71073","MoKα","","0.0966","0.051","","","0.122","0.1531","","","","","","1.099","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213768","9.825","0.002","12.261","0.003","11.798","0.002","90","","93.34","0.03","90","","1418.8","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Cu2 I2 N3 -","- C11 H9 Cu2 I2 N3 -","- C44 H36 Cu8 I8 N12 -","4","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Zhang, Xian-Fa; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Self-assembly of [Cu3I2]- or [CuI]n-based (n = 2, 4, and ∞) coordination polymers from unsymmetrical bis(pyridyl) and in situ ligands: syntheses, structures, and properties","CrystEngComm","2014","16","3","359","","10.1039/c3ce41774c","","","0.71073","MoKα","","0.084","0.0491","","","0.1025","0.1369","","","","","","1.055","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213769","18.782","0.004","9.3645","0.0019","18.609","0.004","90","","97.15","0.03","90","","3247.6","1.2","295","2","295","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C22 H24 Cu4 I4 N6 O -","- C22 H22 Cu4 I4 N6 O -","- C88 H88 Cu16 I16 N24 O4 -","4","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Zhang, Xian-Fa; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Self-assembly of [Cu3I2]- or [CuI]n-based (n = 2, 4, and ∞) coordination polymers from unsymmetrical bis(pyridyl) and in situ ligands: syntheses, structures, and properties","CrystEngComm","2014","16","3","359","","10.1039/c3ce41774c","","","0.71073","MoKα","","0.0955","0.0544","","","0.1434","0.1933","","","","","","1.094","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213770","18.5585","0.001","4.28","0.0002","19.0844","0.0009","90","","108.395","0.005","90","","1438.43","0.13","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H11 Cu2 I2 N3 -","- C11 H11 Cu2 I2 N3 -","- C44 H44 Cu8 I8 N12 -","4","0.5","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Zhang, Xian-Fa; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Self-assembly of [Cu3I2]- or [CuI]n-based (n = 2, 4, and ∞) coordination polymers from unsymmetrical bis(pyridyl) and in situ ligands: syntheses, structures, and properties","CrystEngComm","2014","16","3","359","","10.1039/c3ce41774c","","","0.71073","MoKα","","0.0541","0.0376","","","0.0804","0.0896","","","","","","1.046","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213771","12.797","0.003","13.532","0.003","14.117","0.003","77.43","0.03","82.7","0.03","75.15","0.03","2299.7","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H60 Ag4 N14 O42 Si W12 -","- C70 H56 Ag4 N14 O42 Si W12 -","- C70 H56 Ag4 N14 O42 Si W12 -","1","0.5","","Wang, La-Mei; Wang, Yan; Fan, Yong; Xiao, Li-Na; Hu, Yang-Yang; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The design, syntheses and characterization of a series of hybrids based on polyoxometalates and metal complexes","CrystEngComm","2014","16","3","430","","10.1039/c3ce41611a","","","0.71073","MoKα","","0.1192","0.102","","","0.229","0.2414","","","","","","1.196","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213772","12.208","0.002","22.96","0.005","12.372","0.003","90","","113.85","0.03","90","","3171.7","1.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H37 Cu Mo12 N8 O41 Si -","- C40 H32 Cu Mo12 N8 O41 Si -","- C80 H64 Cu2 Mo24 N16 O82 Si2 -","2","1","","Wang, La-Mei; Wang, Yan; Fan, Yong; Xiao, Li-Na; Hu, Yang-Yang; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The design, syntheses and characterization of a series of hybrids based on polyoxometalates and metal complexes","CrystEngComm","2014","16","3","430","","10.1039/c3ce41611a","","","0.71073","MoKα","","0.0567","0.0525","","","0.1274","0.1321","","","","","","1.015","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213773","30.526","0.006","14.052","0.003","19.953","0.004","90","","118.88","0.03","90","","7494","3","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C46 H40 Cd2 Mo12 N8 O50 P V2 -","- C46 H32 Cd2 Mo12 N8 O50 P V2 -","- C184 H128 Cd8 Mo48 N32 O200 P4 V8 -","4","0.5","","Wang, La-Mei; Wang, Yan; Fan, Yong; Xiao, Li-Na; Hu, Yang-Yang; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The design, syntheses and characterization of a series of hybrids based on polyoxometalates and metal complexes","CrystEngComm","2014","16","3","430","","10.1039/c3ce41611a","","","0.71073","MoKα","","0.0813","0.0576","","","0.141","0.155","","","","","","1.056","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213774","24.293","0.005","10.896","0.002","29.975","0.006","90","","90","","90","","7934","3","296","2","296","2","","","","","","","","8","P c c a","-P 2a 2ac","54","","","","- C52 H46 Cu4 Mo12 N10 O45 P V2 -","- C52 H40 Cu4 Mo12 N10 O45 P V2 -","- C208 H160 Cu16 Mo48 N40 O180 P4 V8 -","4","0.5","","Wang, La-Mei; Wang, Yan; Fan, Yong; Xiao, Li-Na; Hu, Yang-Yang; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The design, syntheses and characterization of a series of hybrids based on polyoxometalates and metal complexes","CrystEngComm","2014","16","3","430","","10.1039/c3ce41611a","","","0.71073","MoKα","","0.1097","0.0672","","","0.1975","0.2277","","","","","","1.014","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213775","13.2145","0.0011","24.934","0.002","27.184","0.002","90","","90","","90","","8956.9","1.2","296","2","296","2","","","","","","","","8","I b a m","-I 2 2c","72","","","","- C68 H48 Cu4 Mo12 N12 O42 Si V2 -","- C68 H48 Cu4 Mo12 N12 O42 Si V2 -","- C272 H192 Cu16 Mo48 N48 O168 Si4 V8 -","4","0.25","","Wang, La-Mei; Wang, Yan; Fan, Yong; Xiao, Li-Na; Hu, Yang-Yang; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The design, syntheses and characterization of a series of hybrids based on polyoxometalates and metal complexes","CrystEngComm","2014","16","3","430","","10.1039/c3ce41611a","","","0.71073","MoKα","","0.0716","0.0518","","","0.1347","0.1477","","","","","","1.046","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213776","13.2295","0.0008","24.9102","0.0017","27.2377","0.0019","90","","90","","90","","8976.2","1","296","2","296","2","","","","","","","","8","I b a m","-I 2 2c","72","","","","- C68 H48 Cu4 Ge Mo12 N12 O42 V2 -","- C68 H48 Cu4 Ge Mo12 N12 O42 V2 -","- C272 H192 Cu16 Ge4 Mo48 N48 O168 V8 -","4","0.25","","Wang, La-Mei; Wang, Yan; Fan, Yong; Xiao, Li-Na; Hu, Yang-Yang; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The design, syntheses and characterization of a series of hybrids based on polyoxometalates and metal complexes","CrystEngComm","2014","16","3","430","","10.1039/c3ce41611a","","","0.71073","MoKα","","0.0844","0.0602","","","0.1708","0.1923","","","","","","1.038","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213777","10.5623","0.0005","18.0907","0.0005","23.0081","0.001","90","","102.177","0.003","90","","4297.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H37 Gd N8 Ni O13 -","- C41 H37 Gd N8 Ni O13 -","- C164 H148 Gd4 N32 Ni4 O52 -","4","1","","Ion, Adrian E.; Nica, Simona; Madalan, Augustin M.; Maxim, Catalin; Julve, Miguel; Lloret, Francesc; Andruh, Marius","One-dimensional coordination polymers constructed from di- and trinuclear {3d‒4f} tectons. A new useful spacer in crystal engineering: 1,3-bis(4-pyridyl)azulene","CrystEngComm","2014","16","3","319","","10.1039/c3ce41592a","","","0.71073","MoKα","","0.0607","0.0461","","","0.101","0.1068","","","","","","1.062","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213778","9.406","0.0014","13.526","0.003","18.568","0.003","74.727","0.013","81.42","0.012","80.592","0.013","2234.2","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H36 Eu N7 O14 Zn -","- C39 H34 Eu N7 O14 Zn -","- C78 H68 Eu2 N14 O28 Zn2 -","2","1","","Ion, Adrian E.; Nica, Simona; Madalan, Augustin M.; Maxim, Catalin; Julve, Miguel; Lloret, Francesc; Andruh, Marius","One-dimensional coordination polymers constructed from di- and trinuclear {3d‒4f} tectons. A new useful spacer in crystal engineering: 1,3-bis(4-pyridyl)azulene","CrystEngComm","2014","16","3","319","","10.1039/c3ce41592a","","","0.71073","MoKα","","0.1402","0.0878","","","0.2089","0.239","","","","","","0.984","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213779","9.0187","0.0018","9.5438","0.0019","10.835","0.002","87.16","0.017","89.548","0.017","61.353","0.015","817.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H22 Cu2 Gd N7 O14 -","- C28 H22 Cu2 Gd N7 O14 -","- C28 H22 Cu2 Gd N7 O14 -","1","0.5","","Ion, Adrian E.; Nica, Simona; Madalan, Augustin M.; Maxim, Catalin; Julve, Miguel; Lloret, Francesc; Andruh, Marius","One-dimensional coordination polymers constructed from di- and trinuclear {3d‒4f} tectons. A new useful spacer in crystal engineering: 1,3-bis(4-pyridyl)azulene","CrystEngComm","2014","16","3","319","","10.1039/c3ce41592a","","","0.71073","MoKα","","0.066","0.0484","","","0.109","0.1165","","","","","","0.958","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213780","15.051","0.003","30.966","0.006","16.201","0.003","90","","93.23","0.03","90","","7539","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 Dy N3 Ni2 O23 -","- C40 H30 Dy N3 Ni2 O23 -","- C160 H120 Dy4 N12 Ni8 O92 -","4","1","","Ion, Adrian E.; Nica, Simona; Madalan, Augustin M.; Maxim, Catalin; Julve, Miguel; Lloret, Francesc; Andruh, Marius","One-dimensional coordination polymers constructed from di- and trinuclear {3d‒4f} tectons. A new useful spacer in crystal engineering: 1,3-bis(4-pyridyl)azulene","CrystEngComm","2014","16","3","319","","10.1039/c3ce41592a","","","0.71073","MoKα","","0.093","0.0578","","","0.1515","0.1652","","","","","","0.951","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213781","11.595","0.002","13.96","0.003","12.667","0.002","90","","102.092","0.003","90","","2004.9","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H38 Mn N8 O5 -","- C46 H38 Mn N8 O5 -","- C92 H76 Mn2 N16 O10 -","2","1","","Wu, Zhe; Sun, Wujuan; Chai, Ying; Zhao, Wenjie; Wu, He; Shi, Ting; Yang, Xuwu","A series of coordination polymers based on a new 2′,5′-dimethyl-1,1′:4′,1′′-terphenyl-3,3′′-dicarboxylic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2014","16","3","406","","10.1039/c3ce41971a","","","0.71073","MoKα","","0.1042","0.0717","","","0.174","0.207","","","","","","1","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213782","10.551","0.003","12.28","0.003","14.417","0.004","82.256","0.005","88.642","0.005","79.904","0.004","1822.3","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 Cd N4 O4 -","- C40 H30 Cd N4 O4 -","- C80 H60 Cd2 N8 O8 -","2","1","","Wu, Zhe; Sun, Wujuan; Chai, Ying; Zhao, Wenjie; Wu, He; Shi, Ting; Yang, Xuwu","A series of coordination polymers based on a new 2′,5′-dimethyl-1,1′:4′,1′′-terphenyl-3,3′′-dicarboxylic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2014","16","3","406","","10.1039/c3ce41971a","","","0.71073","MoKα","","0.0418","0.0367","","","0.0972","0.1057","","","","","","1.078","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213783","11.4316","0.001","22.867","0.002","14.3083","0.0012","90","","91.096","0.002","90","","3739.6","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H64 Cd3 N4 O12 -","- C90 H64 Cd3 N4 O12 -","- C180 H128 Cd6 N8 O24 -","2","0.5","","Wu, Zhe; Sun, Wujuan; Chai, Ying; Zhao, Wenjie; Wu, He; Shi, Ting; Yang, Xuwu","A series of coordination polymers based on a new 2′,5′-dimethyl-1,1′:4′,1′′-terphenyl-3,3′′-dicarboxylic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2014","16","3","406","","10.1039/c3ce41971a","","","0.71073","MoKα","","0.1103","0.0562","","","0.1106","0.1435","","","","","","0.992","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213784","11.3771","0.0014","22.53","0.003","14.3009","0.0017","90","","91.055","0.002","90","","3665.1","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H64 Mn3 N4 O12 -","- C90 H64 Mn3 N4 O12 -","- C180 H128 Mn6 N8 O24 -","2","0.5","","Wu, Zhe; Sun, Wujuan; Chai, Ying; Zhao, Wenjie; Wu, He; Shi, Ting; Yang, Xuwu","A series of coordination polymers based on a new 2′,5′-dimethyl-1,1′:4′,1′′-terphenyl-3,3′′-dicarboxylic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2014","16","3","406","","10.1039/c3ce41971a","","","0.71073","MoKα","","0.0767","0.0449","","","0.1237","0.1532","","","","","","1","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213785","21.075","0.002","7.0239","0.0007","31.99","0.003","90","","104.356","0.002","90","","4587.6","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H48 Mn2 N2 O11 -","- C50 H48 Mn2 N2 O11 -","- C200 H192 Mn8 N8 O44 -","4","1","","Wu, Zhe; Sun, Wujuan; Chai, Ying; Zhao, Wenjie; Wu, He; Shi, Ting; Yang, Xuwu","A series of coordination polymers based on a new 2′,5′-dimethyl-1,1′:4′,1′′-terphenyl-3,3′′-dicarboxylic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2014","16","3","406","","10.1039/c3ce41971a","","","0.71073","MoKα","","0.1255","0.0596","","","0.1447","0.202","","","","","","0.996","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213786","19.134","0.004","12.902","0.003","22.579","0.005","90","","91.1","0.03","90","","5573","2","153","2","426","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C100 H98 Cl4 Fe6 N4 O26 S10 -","- C100 H98 Cl4 Fe6 N4 O26 S10 -","- C200 H196 Cl8 Fe12 N8 O52 S20 -","2","0.5","","Jiang, Guomin; Wang, Miao; Gu, Xuefang; Chen, Tingting; Shang, Yanfang; Tang, Yanfeng; Jiang, Guoqing; Shi, Yujun","Synthesis, structure and characterization of Fe6 molecular clusters with peripheral sulfur atom-capped silver nanoparticles","CrystEngComm","2014","16","3","472","","10.1039/c3ce41444b","","","0.71073","MoKα","","0.1081","0.0856","","","0.2021","0.2197","","","","","","1.091","","","","has coordinates,has disorder","301864","2025-08-22","15:14:32",""
"7213787","15.365","0.003","31.833","0.006","16.779","0.003","90","","90","","90","","8207","3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C58 H72 Mn4 N28 O32 -","- C58 H53 Mn4 N28 O28 -","- C232 H212 Mn16 N112 O112 -","4","0.5","","Li, Huijun; Xu, Zhouqing; Zhao, Bei; Jia, Yanyuan; Ding, Ran; Hou, Hongwei; Fan, Yaoting","Nuclearity control of manganese polymers dependent on structural differences in the coligands and magnetic properties studies","CrystEngComm","2014","16","12","2470","","10.1039/c3ce41553h","","","0.71073","MoKα","","0.1058","0.0878","","","0.2055","0.2171","","","","","","1.104","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213788","13.519","0.003","14.955","0.003","15.356","0.003","102.35","0.03","109.47","0.03","110.99","0.03","2529.4","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H52 Mn3 N10 O22 -","- C43 H50 Mn3 N10 O22 -","- C86 H100 Mn6 N20 O44 -","2","1","","Li, Huijun; Xu, Zhouqing; Zhao, Bei; Jia, Yanyuan; Ding, Ran; Hou, Hongwei; Fan, Yaoting","Nuclearity control of manganese polymers dependent on structural differences in the coligands and magnetic properties studies","CrystEngComm","2014","16","12","2470","","10.1039/c3ce41553h","","","0.71073","MoKα","","0.045","0.0402","","","0.1055","0.1098","","","","","","1.089","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213789","13.527","0.003","14.982","0.003","15.036","0.003","62.09","0.03","67.21","0.03","74.82","0.03","2470.4","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H50 Mn3 N10 O22 -","- C42 H48 Mn3 N10 O21 -","- C84 H96 Mn6 N20 O42 -","2","1","","Li, Huijun; Xu, Zhouqing; Zhao, Bei; Jia, Yanyuan; Ding, Ran; Hou, Hongwei; Fan, Yaoting","Nuclearity control of manganese polymers dependent on structural differences in the coligands and magnetic properties studies","CrystEngComm","2014","16","12","2470","","10.1039/c3ce41553h","","","0.71073","MoKα","","0.088","0.0772","","","0.2068","0.2168","","","","","","1.067","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213790","28.334","0.006","13.063","0.003","6.7989","0.0014","90","","90","","90","","2516.5","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H27 Mn N5 O9 -","- C25 H27 Mn N5 O9 -","- C100 H108 Mn4 N20 O36 -","4","1","","Li, Huijun; Xu, Zhouqing; Zhao, Bei; Jia, Yanyuan; Ding, Ran; Hou, Hongwei; Fan, Yaoting","Nuclearity control of manganese polymers dependent on structural differences in the coligands and magnetic properties studies","CrystEngComm","2014","16","12","2470","","10.1039/c3ce41553h","","","0.71073","MoKα","","0.051","0.0435","","","0.0958","0.1107","","","","","","1.032","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213791","9.7736","0.0004","6.5159","0.0002","11.9527","0.0005","90","","105.729","0.002","90","","732.69","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C34 H38 N2 O6 -","2","1","","Karmakar, Sibasree; Khanra, Sumit","Polynuclear coordination compounds: a magnetostructural study of ferromagnetically coupled Ni4O4 cubane core motif","CrystEngComm","2014","16","12","2371","","10.1039/c3ce41125g","","","0.71073","MoKα","","0.0349","0.0339","","","0.0964","0.099","","","","","","0.825","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213792","24.03","0.003","24.03","0.003","15.0512","0.0019","90","","90","","90","","8691.2","1.9","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C68 H72 N8 Ni4 O16 -","- C68 H72 N8 Ni4 O16 -","- C272 H288 N32 Ni16 O64 -","4","0.25","","Karmakar, Sibasree; Khanra, Sumit","Polynuclear coordination compounds: a magnetostructural study of ferromagnetically coupled Ni4O4 cubane core motif","CrystEngComm","2014","16","12","2371","","10.1039/c3ce41125g","","","0.71073","MoKα","","0.0931","0.0488","","","0.1235","0.1385","","","","","","0.936","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213793","23.871","0.0019","15.5094","0.0013","19.9409","0.0019","90","","107.492","0.005","90","","7041.2","1.1","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C56 H40 N8 Ni4 O20 -","- C56 H40 N8 Ni4 O20 -","- C224 H160 N32 Ni16 O80 -","4","1","","Karmakar, Sibasree; Khanra, Sumit","Polynuclear coordination compounds: a magnetostructural study of ferromagnetically coupled Ni4O4 cubane core motif","CrystEngComm","2014","16","12","2371","","10.1039/c3ce41125g","","","0.71073","MoKα","","0.0493","0.0391","","","0.101","0.1063","","","","","","1.048","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213794","26.43","0.0019","15.9077","0.0011","35.039","0.003","90","","109.497","0.001","90","","13887.1","1.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C67 H66 N12 Ni4 O20 -","- C67 H66 N12 Ni4 O20 -","- C536 H528 N96 Ni32 O160 -","8","1","","Karmakar, Sibasree; Khanra, Sumit","Polynuclear coordination compounds: a magnetostructural study of ferromagnetically coupled Ni4O4 cubane core motif","CrystEngComm","2014","16","12","2371","","10.1039/c3ce41125g","","","0.71073","MoKα","","0.068","0.0574","","","0.1302","0.136","","","","","","1.042","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213795","14.3328","0.0017","16.1942","0.0019","16.976","0.002","71.996","0.002","68.484","0.002","66.013","0.002","3289.3","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H84 N4 Ni4 O16 -","- C56 H84 N4 Ni4 O16 -","- C112 H168 N8 Ni8 O32 -","2","1","","Karmakar, Sibasree; Khanra, Sumit","Polynuclear coordination compounds: a magnetostructural study of ferromagnetically coupled Ni4O4 cubane core motif","CrystEngComm","2014","16","12","2371","","10.1039/c3ce41125g","","","0.71073","MoKα","","0.03","0.0242","","","0.0624","0.0643","","","","","","1.055","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213796","14.8226","0.0012","15.9005","0.0013","17.7741","0.0014","85.655","0.002","66.279","0.001","72.521","0.002","3653.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H74 N4 Ni4 O16 -","- C72 H74 N4 Ni4 O16 -","- C144 H148 N8 Ni8 O32 -","2","1","","Karmakar, Sibasree; Khanra, Sumit","Polynuclear coordination compounds: a magnetostructural study of ferromagnetically coupled Ni4O4 cubane core motif","CrystEngComm","2014","16","12","2371","","10.1039/c3ce41125g","","","0.71073","MoKα","","0.1314","0.1272","","","0.2762","0.2784","","","","","","1.055","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213797","27.7056","0.0006","23.395","0.0006","21.0709","0.0004","90","","113.911","0.002","90","","12485.4","0.5","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C139 H58 O96 Tm12 -","- C139 H58 O96 Tm12 -","- C278 H116 O192 Tm24 -","2","0.25","","Zhang, Liying; Song, Tianyou; Xu, Jianing; Sun, Jiayin; Zeng, Shuangli; Wu, Yuncong; Fan, Yong; Wang, Li","Polymorphic Ln(iii) and BPTC-based porous metal‒organic frameworks with visible, NIR photoluminescent and magnetic properties","CrystEngComm","2014","16","12","2440","","10.1039/c3ce42181c","","","0.71073","MoKα","","0.0439","0.0326","","","0.0727","0.0757","","","","","","0.937","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213798","12.143","0.002","24.875","0.005","19.669","0.004","90","","102.9","0.03","90","","5791","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H6 Nd O10 -","- C16 H6 Nd O10 -","- C128 H48 Nd8 O80 -","8","1","","Zhang, Liying; Song, Tianyou; Xu, Jianing; Sun, Jiayin; Zeng, Shuangli; Wu, Yuncong; Fan, Yong; Wang, Li","Polymorphic Ln(iii) and BPTC-based porous metal‒organic frameworks with visible, NIR photoluminescent and magnetic properties","CrystEngComm","2014","16","12","2440","","10.1039/c3ce42181c","","","0.71073","MoKα","","0.0598","0.0504","","","0.1486","0.1536","","","","","","1.114","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213799","11.66","0.002","12.245","0.002","13.568","0.003","64.88","0.03","68.25","0.03","88.14","0.03","1611.1","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H18 Eu3 O26 -","- C48 H18 Eu3 O26 -","- C48 H18 Eu3 O26 -","1","0.5","","Zhang, Liying; Song, Tianyou; Xu, Jianing; Sun, Jiayin; Zeng, Shuangli; Wu, Yuncong; Fan, Yong; Wang, Li","Polymorphic Ln(iii) and BPTC-based porous metal‒organic frameworks with visible, NIR photoluminescent and magnetic properties","CrystEngComm","2014","16","12","2440","","10.1039/c3ce42181c","","","0.71073","MoKα","","0.0407","0.0325","","","0.0838","0.0995","","","","","","1.076","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213800","11.609","0.002","12.227","0.002","13.554","0.003","65","0.03","69.14","0.03","87.75","0.03","1615.2","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H18 O26 Tb3 -","- C48 H18 O26 Tb3 -","- C48 H18 O26 Tb3 -","1","0.5","","Zhang, Liying; Song, Tianyou; Xu, Jianing; Sun, Jiayin; Zeng, Shuangli; Wu, Yuncong; Fan, Yong; Wang, Li","Polymorphic Ln(iii) and BPTC-based porous metal‒organic frameworks with visible, NIR photoluminescent and magnetic properties","CrystEngComm","2014","16","12","2440","","10.1039/c3ce42181c","","","0.71073","MoKα","","0.0467","0.0393","","","0.1218","0.1247","","","","","","1.145","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213801","11.647","0.002","12.247","0.002","13.604","0.003","65.01","0.03","67.88","0.03","88.32","0.03","1609.8","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H18 N0 O26 Sm3 -","- C48 H18 O26 Sm3 -","- C48 H18 O26 Sm3 -","1","0.5","","Zhang, Liying; Song, Tianyou; Xu, Jianing; Sun, Jiayin; Zeng, Shuangli; Wu, Yuncong; Fan, Yong; Wang, Li","Polymorphic Ln(iii) and BPTC-based porous metal‒organic frameworks with visible, NIR photoluminescent and magnetic properties","CrystEngComm","2014","16","12","2440","","10.1039/c3ce42181c","","","0.71073","MoKα","","0.0309","0.0274","","","0.0882","0.0899","","","","","","1.098","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213802","11.5976","0.0011","12.213","0.0011","13.5187","0.0012","65.039","0.006","68.351","0.006","87.858","0.006","1597.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H18 Dy3 N0 O26 -","- C48 H18 Dy3 O26 -","- C48 H18 Dy3 O26 -","1","0.5","","Zhang, Liying; Song, Tianyou; Xu, Jianing; Sun, Jiayin; Zeng, Shuangli; Wu, Yuncong; Fan, Yong; Wang, Li","Polymorphic Ln(iii) and BPTC-based porous metal‒organic frameworks with visible, NIR photoluminescent and magnetic properties","CrystEngComm","2014","16","12","2440","","10.1039/c3ce42181c","","","0.71073","MoKα","","0.0428","0.0333","","","0.0802","0.083","","","","","","0.927","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213803","19.318","0.004","14.082","0.003","8.8793","0.0018","90","","100.31","0.03","90","","2376.5","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H6 Er2 O16 -","- C19 H6 Er2 O16 -","- C76 H24 Er8 O64 -","4","0.5","","Zhang, Liying; Song, Tianyou; Xu, Jianing; Sun, Jiayin; Zeng, Shuangli; Wu, Yuncong; Fan, Yong; Wang, Li","Polymorphic Ln(iii) and BPTC-based porous metal‒organic frameworks with visible, NIR photoluminescent and magnetic properties","CrystEngComm","2014","16","12","2440","","10.1039/c3ce42181c","","","0.71073","MoKα","","0.0206","0.0193","","","0.0471","0.0476","","","","","","1.099","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213804","10.5171","0.0004","18.7049","0.0006","10.6498","0.0006","90","","102.156","0.004","90","","2048.07","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N2 O8 -","- C24 H20 N2 O8 -","- C96 H80 N8 O32 -","4","1","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.0924","0.0494","","","0.0809","0.096","","","","","","1.001","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213805","19.8521","0.0019","17.5183","0.001","10.0543","0.0006","90","","90.024","0.007","90","","3496.6","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Co N O9 -","- C12 H16 Co N O9 -","- C96 H128 Co8 N8 O72 -","8","1","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.0989","0.0776","","","0.1738","0.188","","","","","","1.056","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213806","19.9019","0.0015","17.4988","0.0009","10.0418","0.0004","90","","90.003","0.005","90","","3497.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Mn N O9 -","- C12 H16 Mn N O9 -","- C96 H128 Mn8 N8 O72 -","8","1","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.0911","0.0711","","","0.1638","0.1718","","","","","","1.035","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213807","20.073","0.009","17.96","0.008","10.293","0.006","90","","94.471","0.01","90","","3699","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Cd N O8 -","- C12 H16 Cd N O8 -","- C96 H128 Cd8 N8 O64 -","8","1","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.1119","0.0795","","","0.1821","0.1961","","","","","","1.062","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213808","27.733","0.015","10.217","0.006","14.405","0.008","90","","92.45","0.009","90","","4078","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H32 N6 O11 Zn2 -","- C44 H32 N6 O11 Zn2 -","- C176 H128 N24 O44 Zn8 -","4","0.5","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.0745","0.0527","","","0.1482","0.1624","","","","","","1.057","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213809","10.235","0.005","9.554","0.005","24.242","0.009","90","","112.62","0.016","90","","2188.2","1.8","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C44 H42 Cd2 N6 O13 -","- C44 H36 Cd2 N6 O13 -","- C88 H72 Cd4 N12 O26 -","2","0.5","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.0483","0.0384","","","0.0971","0.1027","","","","","","1.014","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213810","27.937","0.008","10.472","0.003","14.34","0.005","90","","90.467","0.007","90","","4195","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 N3 O5 Zn -","- C24 H16 N3 O5 Zn -","- C192 H128 N24 O40 Zn8 -","8","1","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.0987","0.0546","","","0.1234","0.1392","","","","","","1.035","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213811","10.746","0.004","15.84","0.005","15.859","0.006","90","","130.94","0.04","90","","2039.2","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cu N3 O5 -","- C24 H18 Cu N3 O5 -","- C96 H72 Cu4 N12 O20 -","4","1","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.0512","0.0388","","","0.0907","0.0972","","","","","","1.014","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213812","28.13","0.004","9.703","0.005","15.619","0.006","90","","100.37","0.03","90","","4193","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N3 Ni O6 -","- C22 H18 N3 Ni O6 -","- C176 H144 N24 Ni8 O48 -","8","1","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.1319","0.0631","","","0.1327","0.1569","","","","","","1.033","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213813","10.523","0.004","16.289","0.007","11.71","0.004","90","","91.087","0.007","90","","2006.8","1.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N3 O5 Zn -","- C24 H18 N3 O5 Zn -","- C96 H72 N12 O20 Zn4 -","4","1","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.0832","0.0525","","","0.1122","0.1274","","","","","","0.977","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213814","11.405","0.0008","11.156","0.0008","15.193","0.0011","90","","94.211","0.001","90","","1927.9","0.2","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C44 H34 Cu N6 O8 -","- C44 H34 Cu N6 O8 -","- C88 H68 Cu2 N12 O16 -","2","1","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.0625","0.0402","","","0.0731","0.0786","","","","","","1.005","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213815","14.424","0.005","16.241","0.006","16.635","0.01","104.014","0.009","105.078","0.009","109.873","0.006","3296","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H49 N5 O4 -","- C33 H49 N5 O4 -","- C132 H196 N20 O16 -","4","2","","Maity, Suman Kumar; Bera, Santu; Paikar, Arpita; Pramanik, Apurba; Haldar, Debasish","Fabrication of self-assembled peptidomimetic microspheres and hydrogen peroxide responsive release of nicotinamide","CrystEngComm","2014","16","12","2527","","10.1039/c3ce41796d","","","0.71073","MoKα","","0.1274","0.0887","","","0.2717","0.3288","","","","","","1.258","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213816","7.1357","0.0005","20.7857","0.0012","7.6013","0.0004","90","","116.33","0.003","90","","1010.46","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N3 O4 -","- C9 H9 N3 O4 -","- C36 H36 N12 O16 -","4","1","","Maity, Suman Kumar; Bera, Santu; Paikar, Arpita; Pramanik, Apurba; Haldar, Debasish","Fabrication of self-assembled peptidomimetic microspheres and hydrogen peroxide responsive release of nicotinamide","CrystEngComm","2014","16","12","2527","","10.1039/c3ce41796d","","","0.71073","MoKα","","0.0806","0.0582","","","0.1594","0.1824","","","","","","0.923","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213817","13.466","0.005","9.033","0.003","18.952","0.007","90","","95.102","0.005","90","","2296.2","1.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cl2 N6 O3 S4 U -","- C14 H12 Cl2 N6 O3 S4 U -","- C56 H48 Cl8 N24 O12 S16 U4 -","4","0.5","","Surbella III, Robert G.; Cahill, Christopher L.","The exploration of supramolecular interactions stemming from the [UO2(NCS)4(H2O)]2− tecton and substituted pyridinium cations","CrystEngComm","2014","16","12","2352","","10.1039/c3ce42106f","","x-ray","0.71073","MoKα","","0.0354","0.0281","","","0.0541","0.0561","","","","","","1.008","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213818","6.4685","0.0013","15.007","0.003","25.732","0.005","90","","90","","90","","2497.9","0.9","100","2","100","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C14 H14 Br2 N6 O4 S4 U -","- C14 H10 Br2 N6 O4 S4 U -","- C56 H40 Br8 N24 O16 S16 U4 -","4","0.5","","Surbella III, Robert G.; Cahill, Christopher L.","The exploration of supramolecular interactions stemming from the [UO2(NCS)4(H2O)]2− tecton and substituted pyridinium cations","CrystEngComm","2014","16","12","2352","","10.1039/c3ce42106f","","x-ray","0.71073","MoKα","","0.0313","0.0243","","","0.0526","0.0549","","","","","","1.057","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213819","6.6151","0.0018","14.993","0.004","25.896","0.007","90","","91.068","0.004","90","","2567.9","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 I2 N6 O4 S4 U -","- C14 H10 I2 N6 O4 S4 U -","- C56 H40 I8 N24 O16 S16 U4 -","4","1","","Surbella III, Robert G.; Cahill, Christopher L.","The exploration of supramolecular interactions stemming from the [UO2(NCS)4(H2O)]2− tecton and substituted pyridinium cations","CrystEngComm","2014","16","12","2352","","10.1039/c3ce42106f","","x-ray","0.71073","MoKα","","0.0736","0.057","","","0.1276","0.1333","","","","","","1.15","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213820","6.7452","0.0004","15.1032","0.0008","25.9377","0.0014","90","","90","","90","","2642.4","0.3","293","2","293","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C14 H14 I2 N6 O4 S4 U -","- C14 H10 I2 N6 O4 S4 U -","- C56 H40 I8 N24 O16 S16 U4 -","4","0.5","","Surbella III, Robert G.; Cahill, Christopher L.","The exploration of supramolecular interactions stemming from the [UO2(NCS)4(H2O)]2− tecton and substituted pyridinium cations","CrystEngComm","2014","16","12","2352","","10.1039/c3ce42106f","","x-ray","0.71073","MoKα","","0.072","0.0358","","","0.0648","0.0752","","","","","","1.001","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213821","13.407","0.003","8.8724","0.0017","24.9","0.005","90","","102.363","0.003","90","","2893.2","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 N8 O7 S6 U -","- C16 H10 N8 O7 S6 U -","- C64 H40 N32 O28 S24 U4 -","4","0.5","","Surbella III, Robert G.; Cahill, Christopher L.","The exploration of supramolecular interactions stemming from the [UO2(NCS)4(H2O)]2− tecton and substituted pyridinium cations","CrystEngComm","2014","16","12","2352","","10.1039/c3ce42106f","","x-ray","0.71073","MoKα","","0.0338","0.0317","","","0.0765","0.0775","","","","","","1.032","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213822","14.654","0.002","9.0207","0.0014","17.766","0.003","90","","92.078","0.002","90","","2346.9","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 N6 O3 S4 U -","- C16 H16 N6 O3 S4 U -","- C64 H64 N24 O12 S16 U4 -","4","0.5","","Surbella III, Robert G.; Cahill, Christopher L.","The exploration of supramolecular interactions stemming from the [UO2(NCS)4(H2O)]2− tecton and substituted pyridinium cations","CrystEngComm","2014","16","12","2352","","10.1039/c3ce42106f","","x-ray","0.71073","MoKα","","0.0264","0.0223","","","0.0449","0.046","","","","","","1.067","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213823","8.761","0.002","16.018","0.004","16.129","0.004","90","","95.282","0.004","90","","2253.8","0.9","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H18 N6 O3 S4 U -","- C16 H16 N6 O3 S4 U -","- C64 H64 N24 O12 S16 U4 -","4","1","","Surbella III, Robert G.; Cahill, Christopher L.","The exploration of supramolecular interactions stemming from the [UO2(NCS)4(H2O)]2− tecton and substituted pyridinium cations","CrystEngComm","2014","16","12","2352","","10.1039/c3ce42106f","","x-ray","0.71073","MoKα","","0.0591","0.0418","","","0.0909","0.0986","","","","","","1.031","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213824","8.758","0.0007","16.0178","0.0014","16.1291","0.0014","90","","95.253","0.001","90","","2253.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C14 H16 N8 O3 S4 U -","- C14 H14 N8 O3 S4 U -","- C56 H56 N32 O12 S16 U4 -","4","1","","Surbella III, Robert G.; Cahill, Christopher L.","The exploration of supramolecular interactions stemming from the [UO2(NCS)4(H2O)]2− tecton and substituted pyridinium cations","CrystEngComm","2014","16","12","2352","","10.1039/c3ce42106f","","x-ray","0.71073","MoKα","","0.0497","0.0345","","","0.0594","0.0631","","","","","","1.061","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213825","13.3879","0.0015","8.6863","0.001","23.486","0.003","90","","98.305","0.001","90","","2702.6","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 N8 O3 S4 U -","- C18 H22 N8 O3 S4 U -","- C72 H88 N32 O12 S16 U4 -","4","0.5","","Surbella III, Robert G.; Cahill, Christopher L.","The exploration of supramolecular interactions stemming from the [UO2(NCS)4(H2O)]2− tecton and substituted pyridinium cations","CrystEngComm","2014","16","12","2352","","10.1039/c3ce42106f","","x-ray","0.71073","MoKα","","0.0156","0.0151","","","0.0345","0.0347","","","","","","1.215","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213826","8.4358","0.0018","10.074","0.002","15.079","0.003","71.071","0.005","87.931","0.006","67.631","0.006","1115.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 N3 O9 Zn1.5 -","- C22 H21 N3 O9 Zn1.5 -","- C44 H42 N6 O18 Zn3 -","2","1","","Niu, Yan-Fei; Zhao, Wen; Han, Jie; GeTian,; Zhao, Xiao-Li","Unprecedented metal-ion metathesis in a metal‒carboxylate chain-based metal‒organic framework","CrystEngComm","2014","16","12","2344","","10.1039/c3ce42214c","","","0.71073","MoKα","","0.0445","0.0411","","","0.1209","0.1268","","","","","","1.114","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213827","6.4411","0.0004","6.8211","0.0004","10.012","0.0006","94.14","0.003","93.01","0.003","117.31","0.003","388.01","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H5 N O5 Sr -","- C7 H5 N O5 Sr -","- C14 H10 N2 O10 Sr2 -","2","1","","Chen, Yanmei; She, Shixiong; Gao, Qian; Gao, Dandan; Wang, Derong; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, structures and properties of the first series of SrII–MII (M = Cu, Co, Ni and Zn) coordination polymers based on pyridine-2,5-dicarboxylic acid","CrystEngComm","2014","16","6","1091","","10.1039/c3ce41975d","","","0.71073","MoKα","","0.0186","0.0181","","","0.0488","0.0491","","","","","","1.169","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213828","7.4636","0.0015","10.502","0.002","11.744","0.002","98.5","0.03","94.57","0.03","92.14","0.03","906.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Cu N2 O12 Sr -","- C14 H14 Cu N2 O12 Sr -","- C28 H28 Cu2 N4 O24 Sr2 -","2","1","","Chen, Yanmei; She, Shixiong; Gao, Qian; Gao, Dandan; Wang, Derong; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, structures and properties of the first series of SrII‒MII (M = Cu, Co, Ni and Zn) coordination polymers based on pyridine-2,5-dicarboxylic acid","CrystEngComm","2014","16","6","1091","","10.1039/c3ce41975d","","","0.71073","MoKα","","0.029","0.022","","","0.0568","0.0594","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213829","7.3083","0.0005","12.0765","0.0009","13.4566","0.0009","112.818","0.001","95.89","0.001","103.909","0.001","1036.85","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H38 Co2 N4 O29 Sr2 -","- C28 H38 Co2 N4 O29 Sr2 -","- C28 H38 Co2 N4 O29 Sr2 -","1","0.5","","Chen, Yanmei; She, Shixiong; Gao, Qian; Gao, Dandan; Wang, Derong; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, structures and properties of the first series of SrII–MII (M = Cu, Co, Ni and Zn) coordination polymers based on pyridine-2,5-dicarboxylic acid","CrystEngComm","2014","16","6","1091","","10.1039/c3ce41975d","","","0.71073","MoKα","","0.0376","0.0281","","","0.0619","0.0654","","","","","","1.009","","","","has coordinates,has disorder","301864","2025-08-22","15:14:32",""
"7213830","18.324","0.003","13.794","0.003","8.7635","0.0017","90","","107.405","0.003","90","","2113.7","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H20 N2 Ni O15 Sr -","- C14 H20 N2 Ni O15 Sr -","- C56 H80 N8 Ni4 O60 Sr4 -","4","0.5","","Chen, Yanmei; She, Shixiong; Gao, Qian; Gao, Dandan; Wang, Derong; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, structures and properties of the first series of SrII‒MII (M = Cu, Co, Ni and Zn) coordination polymers based on pyridine-2,5-dicarboxylic acid","CrystEngComm","2014","16","6","1091","","10.1039/c3ce41975d","","","0.71073","MoKα","","0.04","0.0336","","","0.0936","0.0967","","","","","","1.048","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213831","7.323","0.004","22.223","0.011","16.991","0.009","90","","90","","90","","2765","3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H28 N2 Ni O19 Sr -","- C14 H27 N2 Ni O19 Sr -","- C56 H108 N8 Ni4 O76 Sr4 -","4","0.5","","Chen, Yanmei; She, Shixiong; Gao, Qian; Gao, Dandan; Wang, Derong; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, structures and properties of the first series of SrII‒MII (M = Cu, Co, Ni and Zn) coordination polymers based on pyridine-2,5-dicarboxylic acid","CrystEngComm","2014","16","6","1091","","10.1039/c3ce41975d","","","0.71073","MoKα","","0.0412","0.0342","","","0.1276","0.1323","","","","","","1.16","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213832","8.5324","0.0013","22.302","0.003","16.57","0.002","90","","93.783","0.003","90","","3146.2","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 N3 Ni O22 Sr2 -","- C21 H29 N3 Ni O22 Sr2 -","- C84 H116 N12 Ni4 O88 Sr8 -","4","1","","Chen, Yanmei; She, Shixiong; Gao, Qian; Gao, Dandan; Wang, Derong; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, structures and properties of the first series of SrII‒MII (M = Cu, Co, Ni and Zn) coordination polymers based on pyridine-2,5-dicarboxylic acid","CrystEngComm","2014","16","6","1091","","10.1039/c3ce41975d","","","0.71073","MoKα","","0.0534","0.0334","","","0.0681","0.0745","","","","","","1.011","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213833","7.917","0.004","10.835","0.005","20.769","0.01","90","","92.825","0.01","90","","1779.4","1.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N2 O13 Sr Zn -","- C14 H14 N2 O13 Sr Zn -","- C56 H56 N8 O52 Sr4 Zn4 -","4","1","","Chen, Yanmei; She, Shixiong; Gao, Qian; Gao, Dandan; Wang, Derong; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, structures and properties of the first series of SrII‒MII (M = Cu, Co, Ni and Zn) coordination polymers based on pyridine-2,5-dicarboxylic acid","CrystEngComm","2014","16","6","1091","","10.1039/c3ce41975d","","","0.71073","MoKα","","0.0479","0.0378","","","0.1015","0.1107","","","","","","1.06","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213834","16.484","0.003","14.875","0.003","26.826","0.005","90","","90","","90","","6578","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H33 N3 O24 Sr2 Zn -","- C21 H31 N3 O24 Sr2 Zn -","- C168 H248 N24 O192 Sr16 Zn8 -","8","1","","Chen, Yanmei; She, Shixiong; Gao, Qian; Gao, Dandan; Wang, Derong; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, structures and properties of the first series of SrII‒MII (M = Cu, Co, Ni and Zn) coordination polymers based on pyridine-2,5-dicarboxylic acid","CrystEngComm","2014","16","6","1091","","10.1039/c3ce41975d","","","0.71073","MoKα","","0.0354","0.0248","","","0.0551","0.0586","","","","","","1.027","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213835","9.86","0.002","13.113","0.003","11.65","0.002","90","","101.99","0.03","90","","1473.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cd N2 O6 -","- C12 H12 Cd N2 O6 -","- C48 H48 Cd4 N8 O24 -","4","1","","Gao, Song; Fan, Rui-Qing; Qiang, Liang-Sheng; Wang, Ping; Chen, Shuo; Wang, Xin-Ming; Yang, Yu-Lin","Effects of solvents and temperature on the luminescence properties of Cd-isonicotinic acid frameworks based on mono-, bi-, and trinuclear cluster units","CrystEngComm","2014","16","6","1113","","10.1039/c3ce42216j","","","0.71073","MoKα","","0.1051","0.1022","","","0.2763","0.2771","","","","","","1.078","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213836","10.39","0.002","12.295","0.003","12.497","0.003","79.31","0.03","68.2","0.03","69.58","0.03","1386.2","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 Cd2 N4 O10 S -","- C18 H22 Cd2 N4 O10 S -","- C36 H44 Cd4 N8 O20 S2 -","2","1","","Gao, Song; Fan, Rui-Qing; Qiang, Liang-Sheng; Wang, Ping; Chen, Shuo; Wang, Xin-Ming; Yang, Yu-Lin","Effects of solvents and temperature on the luminescence properties of Cd-isonicotinic acid frameworks based on mono-, bi-, and trinuclear cluster units","CrystEngComm","2014","16","6","1113","","10.1039/c3ce42216j","","","0.71073","MoKα","","0.0832","0.0555","","","0.1563","0.1735","","","","","","1.057","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213837","12.048","0.002","12.28","0.003","19.092","0.004","91.92","0.03","98.1","0.03","117.88","0.03","2455.9","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H23 Cd3 N5.5 O11.5 -","- C33 H21 Cd3 N5.5 O11.5 -","- C66 H42 Cd6 N11 O23 -","2","1","","Gao, Song; Fan, Rui-Qing; Qiang, Liang-Sheng; Wang, Ping; Chen, Shuo; Wang, Xin-Ming; Yang, Yu-Lin","Effects of solvents and temperature on the luminescence properties of Cd-isonicotinic acid frameworks based on mono-, bi-, and trinuclear cluster units","CrystEngComm","2014","16","6","1113","","10.1039/c3ce42216j","","","0.71073","MoKα","","0.045","0.0405","","","0.1332","0.1378","","","","","","1.063","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213838","8.8851","0.0004","14.3096","0.0004","8.3842","0.0004","90","","93.12","0.005","90","","1064.41","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cu N6 O10 -","- C22 H16 Cu N6 O10 -","- C44 H32 Cu2 N12 O20 -","2","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers constructed by the semi-rigid bifunctional ligand 5-((1H-1,2,4-triazol-1-yl)methoxy) isophthalic acid: syntheses, structures and the role of solvents","CrystEngComm","2014","16","6","1136","","10.1039/c3ce42048e","","","0.71073","MoKα","","0.0545","0.0355","","","0.0689","0.0752","","","","","","1.006","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213839","8.4928","0.0005","9.6404","0.0006","12.5967","0.0008","68.102","0.006","71.434","0.006","64.579","0.006","848.72","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 Cu N8 O12 -","- C30 H34 Cu N8 O12 -","- C30 H34 Cu N8 O12 -","1","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers constructed by the semi-rigid bifunctional ligand 5-((1H-1,2,4-triazol-1-yl)methoxy) isophthalic acid: syntheses, structures and the role of solvents","CrystEngComm","2014","16","6","1136","","10.1039/c3ce42048e","","","0.71073","MoKα","","0.0582","0.0429","","","0.0894","0.099","","","","","","1.061","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213840","9.4293","0.0004","10.2259","0.0005","17.1533","0.0011","91.634","0.005","99.933","0.004","93.062","0.004","1625.66","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 Co2 N8 O12 -","- C28 H21 Co2 N8 O12 -","- C56 H42 Co4 N16 O24 -","2","1","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers constructed by the semi-rigid bifunctional ligand 5-((1H-1,2,4-triazol-1-yl)methoxy) isophthalic acid: syntheses, structures and the role of solvents","CrystEngComm","2014","16","6","1136","","10.1039/c3ce42048e","","","0.71073","MoKα","","0.0932","0.0545","","","0.099","0.1145","","","","","","1.042","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213841","9.3382","0.001","9.6636","0.0009","10.2665","0.0011","98.072","0.008","95.881","0.009","101.077","0.009","892.16","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Co N4 O8 -","- C14 H18 Co N4 O8 -","- C28 H36 Co2 N8 O16 -","2","1","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers constructed by the semi-rigid bifunctional ligand 5-((1H-1,2,4-triazol-1-yl)methoxy) isophthalic acid: syntheses, structures and the role of solvents","CrystEngComm","2014","16","6","1136","","10.1039/c3ce42048e","","","0.71073","MoKα","","0.0388","0.034","","","0.0845","0.089","","","","","","1.046","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213842","11.0788","0.0004","12.6965","0.001","12.7879","0.0006","65.776","0.006","86.62","0.003","83.387","0.004","1629.34","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H62 Co5 N16 O28 -","- C56 H62 Co5 N16 O28 -","- C56 H62 Co5 N16 O28 -","1","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers constructed by the semi-rigid bifunctional ligand 5-((1H-1,2,4-triazol-1-yl)methoxy) isophthalic acid: syntheses, structures and the role of solvents","CrystEngComm","2014","16","6","1136","","10.1039/c3ce42048e","","","0.71073","MoKα","","0.0666","0.0473","","","0.1092","0.1202","","","","","","1.015","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213843","8.912","0.0005","10.0898","0.0006","10.3129","0.0004","67.551","0.004","67.6","0.005","77.935","0.005","790.2","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Cd N4 O6 -","- C14 H14 Cd N4 O6 -","- C28 H28 Cd2 N8 O12 -","2","1","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers constructed by the semi-rigid bifunctional ligand 5-((1H-1,2,4-triazol-1-yl)methoxy) isophthalic acid: syntheses, structures and the role of solvents","CrystEngComm","2014","16","6","1136","","10.1039/c3ce42048e","","","0.71073","MoKα","","0.0321","0.0275","","","0.0622","0.0646","","","","","","1.038","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213844","8.8056","0.0007","17.5516","0.0011","13.9196","0.0011","90","","126.483","0.005","90","","1729.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Cd N4 O6 -","- C15 H16 Cd N4 O6 -","- C60 H64 Cd4 N16 O24 -","4","1","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers constructed by the semi-rigid bifunctional ligand 5-((1H-1,2,4-triazol-1-yl)methoxy) isophthalic acid: syntheses, structures and the role of solvents","CrystEngComm","2014","16","6","1136","","10.1039/c3ce42048e","","","0.71073","MoKα","","0.0666","0.0442","","","0.0959","0.107","","","","","","1.07","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213845","7.8508","0.0005","17.7308","0.001","10.7154","0.0007","90","","93.285","0.006","90","","1489.14","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Cd2 N6 O17 -","- C22 H28 Cd2 N6 O17 -","- C44 H56 Cd4 N12 O34 -","2","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers constructed by the semi-rigid bifunctional ligand 5-((1H-1,2,4-triazol-1-yl)methoxy) isophthalic acid: syntheses, structures and the role of solvents","CrystEngComm","2014","16","6","1136","","10.1039/c3ce42048e","","","0.71073","MoKα","","0.0347","0.0275","","","0.0574","0.0625","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213846","7.8034","0.0004","17.5927","0.0009","10.5797","0.0005","90","","93.25","0.005","90","","1450.08","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Mn2 N6 O17 -","- C22 H28 Mn2 N6 O17 -","- C44 H56 Mn4 N12 O34 -","2","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers constructed by the semi-rigid bifunctional ligand 5-((1H-1,2,4-triazol-1-yl)methoxy) isophthalic acid: syntheses, structures and the role of solvents","CrystEngComm","2014","16","6","1136","","10.1039/c3ce42048e","","","0.71073","MoKα","","0.0383","0.0333","","","0.0851","0.0886","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213847","9.7401","0.0003","15.6078","0.0003","16.5583","0.0004","90","","123.019","0.002","90","","2110.66","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Mn N5 O7 -","- C17 H13 Mn N5 O7 -","- C68 H52 Mn4 N20 O28 -","4","1","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers constructed by the semi-rigid bifunctional ligand 5-((1H-1,2,4-triazol-1-yl)methoxy) isophthalic acid: syntheses, structures and the role of solvents","CrystEngComm","2014","16","6","1136","","10.1039/c3ce42048e","","","0.71073","MoKα","","0.0511","0.0412","","","0.1074","0.1141","","","","","","1.043","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7213848","11.435","0.0007","5.204","0.0002","16.4787","0.001","90","","124.283","0.004","90","","810.24","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 N O4 P Zn -","- C5 H7 N O4 P Zn -","- C20 H28 N4 O16 P4 Zn4 -","4","1","","Tian, Jumei; Li, Bo; Zhang, Xiaoying; Zhang, Jingping","Transition metal phosphite complexes: from one-dimensional chain, two-dimensional sheet, to three-dimensional architecture with unusual magnetic properties","CrystEngComm","2014","16","6","1071","","10.1039/c3ce41741g","","","0.71073","MoKα","","0.0539","0.0456","","","0.1128","0.1224","","","","","","1.081","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213849","16.696","","14.997","","7.4","","90","","104.42","","90","","1794.51","","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C10 H15 N2 Ni O10 P -","- C10 H15 N2 Ni O10 P -","- C40 H60 N8 Ni4 O40 P4 -","4","1","","Tian, Jumei; Li, Bo; Zhang, Xiaoying; Zhang, Jingping","Transition metal phosphite complexes: from one-dimensional chain, two-dimensional sheet, to three-dimensional architecture with unusual magnetic properties","CrystEngComm","2014","16","6","1071","","10.1039/c3ce41741g","","","0.71073","MoKα","","0.0597","0.0553","","","0.1455","0.1487","","","","","","1.034","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213850","17.189","0.005","14.748","0.005","7.469","0.005","90","","100.047","0.005","90","","1864.4","1.5","195","2","195","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C20 H30 Co2 N4 O21 P2 -","- C20 H30 Co2 N4 O21 P2 -","- C40 H60 Co4 N8 O42 P4 -","2","0.5","","Tian, Jumei; Li, Bo; Zhang, Xiaoying; Zhang, Jingping","Transition metal phosphite complexes: from one-dimensional chain, two-dimensional sheet, to three-dimensional architecture with unusual magnetic properties","CrystEngComm","2014","16","6","1071","","10.1039/c3ce41741g","","","0.71069","MoKα","","0.0598","0.0541","","","0.1285","0.1321","","","","","","1.053","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213851","11.032","0.0005","11.032","0.0005","22.838","0.0013","90","","90","","120","","2407.1","0.2","293","2","293","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C30 H42 Co3 N6 O15 P2 -","- C30 H36 Co3 N6 O14.996 P2 -","- C60 H72 Co6 N12 O29.992 P4 -","2","0.0833333","","Tian, Jumei; Li, Bo; Zhang, Xiaoying; Zhang, Jingping","Transition metal phosphite complexes: from one-dimensional chain, two-dimensional sheet, to three-dimensional architecture with unusual magnetic properties","CrystEngComm","2014","16","6","1071","","10.1039/c3ce41741g","","","0.71073","MoKα","","0.0808","0.0661","","","0.1503","0.1584","","","","","","1.015","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213852","7.9316","0.0004","11.5548","0.0003","20.3743","0.001","87.909","0.003","80.351","0.004","75.405","0.003","1781.41","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H37 N6 O11 Zn2 -","- C34 H29 N6 O11 Zn2 -","- C68 H58 N12 O22 Zn4 -","2","1","","Wu, Hua; Lü, Xiao-Li; Yang, Chun-Long; Dong, Chang-Xun; Wu, Mei-Sheng","Diverse topologies of seven d10 coordination polymers constructed from a long ligand and different carboxylates","CrystEngComm","2014","16","6","992","","10.1039/c3ce41974f","","","0.71073","MoKα","","0.0656","0.0379","","","0.0772","0.0824","","","","","","0.883","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213853","10.088","0.0004","10.185","0.0004","15.041","0.0007","109.498","0.004","92.338","0.004","115.87","0.09","1278.7","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 N6 O6 Zn -","- C22 H30 N6 O6 Zn -","- C44 H60 N12 O12 Zn2 -","2","1","","Wu, Hua; Lü, Xiao-Li; Yang, Chun-Long; Dong, Chang-Xun; Wu, Mei-Sheng","Diverse topologies of seven d10 coordination polymers constructed from a long ligand and different carboxylates","CrystEngComm","2014","16","6","992","","10.1039/c3ce41974f","","","0.71073","MoKα","","0.0563","0.04","","","0.1082","0.1125","","","","","","0.939","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213854","10.142","0.002","11.524","0.002","11.819","0.002","85.816","0.015","88.121","0.017","77.469","0.017","1344.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H32 Cd0 N6 O8 Zn -","- C23 H32 N6 O8 Zn -","- C46 H64 N12 O16 Zn2 -","2","1","","Wu, Hua; Lü, Xiao-Li; Yang, Chun-Long; Dong, Chang-Xun; Wu, Mei-Sheng","Diverse topologies of seven d10 coordination polymers constructed from a long ligand and different carboxylates","CrystEngComm","2014","16","6","992","","10.1039/c3ce41974f","","","1.54184","CuKα","","0.1288","0.0731","","","0.1671","0.1969","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213855","30.249","0.003","9.1097","0.0003","18.2763","0.0013","90","","122.814","0.011","90","","4232.6","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H50 N12 O8 Zn2 -","- C38 H30 N12 O8 Zn2 -","- C152 H120 N48 O32 Zn8 -","4","0.5","","Wu, Hua; Lü, Xiao-Li; Yang, Chun-Long; Dong, Chang-Xun; Wu, Mei-Sheng","Diverse topologies of seven d10 coordination polymers constructed from a long ligand and different carboxylates","CrystEngComm","2014","16","6","992","","10.1039/c3ce41974f","","","1.54184","CuKα","","0.1069","0.0722","","","0.1742","0.1908","","","","","","1.079","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213856","10.149","0.0007","10.423","0.0007","14.596","0.001","75.494","0.006","81.455","0.006","66.286","0.007","1366.58","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H34 Cd N6 O7 -","- C22 H18 Cd N6 O7 -","- C44 H36 Cd2 N12 O14 -","2","1","","Wu, Hua; Lü, Xiao-Li; Yang, Chun-Long; Dong, Chang-Xun; Wu, Mei-Sheng","Diverse topologies of seven d10 coordination polymers constructed from a long ligand and different carboxylates","CrystEngComm","2014","16","6","992","","10.1039/c3ce41974f","","","0.71073","MoKα","","0.0511","0.0367","","","0.095","0.098","","","","","","0.949","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213857","10.1865","0.001","13.716","0.002","15.936","0.002","111.617","0.013","93.704","0.009","95.474","0.01","2048.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H90 Cd4 N18 O17 -","- C74 H88 Cd4 N18 O17 -","- C74 H88 Cd4 N18 O17 -","1","0.5","","Wu, Hua; Lü, Xiao-Li; Yang, Chun-Long; Dong, Chang-Xun; Wu, Mei-Sheng","Diverse topologies of seven d10 coordination polymers constructed from a long ligand and different carboxylates","CrystEngComm","2014","16","6","992","","10.1039/c3ce41974f","","","0.71073","MoKα","","0.1002","0.0393","","","0.0657","0.0735","","","","","","0.781","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213858","17.429","0.003","5.81","0.001","25.244","0.005","90","","130.351","0.012","90","","1948.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 Cl2 N6 Zn -","- C14 H24 Cl2 N6 Zn -","- C56 H96 Cl8 N24 Zn4 -","4","1","","Wu, Hua; Lü, Xiao-Li; Yang, Chun-Long; Dong, Chang-Xun; Wu, Mei-Sheng","Diverse topologies of seven d10 coordination polymers constructed from a long ligand and different carboxylates","CrystEngComm","2014","16","6","992","","10.1039/c3ce41974f","","","0.71073","MoKα","","0.1255","0.0317","","","0.0334","0.0373","","","","","","0.635","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213859","15.0205","0.0016","8.6335","0.001","10.1078","0.0011","90","","95.43","0.002","90","","1304.9","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Fe N2 O16 P4 -","- C20 H28 Fe N2 O16 P4 -","- C40 H56 Fe2 N4 O32 P8 -","2","0.5","","Zhou, Wei; Zhu, Yan-Yu; Jiao, Cheng-Qi; Sun, Zhen-Gang; Shi, Shao-Ping; Dai, Lu-Lu; Sun, Tong; Li, Wen-Zhu; Ma, Ming-Xue; Luo, Hui","Syntheses, crystal structures, surface photovoltage, luminescence and molecular recognition properties of zinc(ii) and iron(ii) carboxyphosphonates with 2D and 3D supramolecular structures","CrystEngComm","2014","16","6","1174","","10.1039/c3ce41976b","","","0.71073","MoKα","","0.0483","0.0418","","","0.1267","0.1323","","","","","","1.004","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213860","15.2874","0.0018","8.1363","0.001","11.36","0.0014","90","","94.136","0.002","90","","1409.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O8 P2 Zn2 -","- C10 H11 N O8 P2 Zn2 -","- C40 H44 N4 O32 P8 Zn8 -","4","1","","Zhou, Wei; Zhu, Yan-Yu; Jiao, Cheng-Qi; Sun, Zhen-Gang; Shi, Shao-Ping; Dai, Lu-Lu; Sun, Tong; Li, Wen-Zhu; Ma, Ming-Xue; Luo, Hui","Syntheses, crystal structures, surface photovoltage, luminescence and molecular recognition properties of zinc(ii) and iron(ii) carboxyphosphonates with 2D and 3D supramolecular structures","CrystEngComm","2014","16","6","1174","","10.1039/c3ce41976b","","","0.71073","MoKα","","0.0586","0.0344","","","0.0923","0.116","","","","","","1.002","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213861","15.5562","0.0015","9.6049","0.0009","10.2192","0.001","90","","99.109","0.002","90","","1507.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 Fe2 N O9 P2 -","- C10 H13 Fe2 N O9 P2 -","- C40 H52 Fe8 N4 O36 P8 -","4","1","","Zhou, Wei; Zhu, Yan-Yu; Jiao, Cheng-Qi; Sun, Zhen-Gang; Shi, Shao-Ping; Dai, Lu-Lu; Sun, Tong; Li, Wen-Zhu; Ma, Ming-Xue; Luo, Hui","Syntheses, crystal structures, surface photovoltage, luminescence and molecular recognition properties of zinc(ii) and iron(ii) carboxyphosphonates with 2D and 3D supramolecular structures","CrystEngComm","2014","16","6","1174","","10.1039/c3ce41976b","","","0.71073","MoKα","","0.0584","0.0423","","","0.0972","0.1042","","","","","","1.015","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213862","18.5137","0.0012","19.2404","0.0012","8.0478","0.0005","90","","90","","90","","2866.7","0.3","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C10 H13 N O8 P2 Zn -","- C10 H13 N O8 P2 Zn -","- C80 H104 N8 O64 P16 Zn8 -","8","1","","Zhou, Wei; Zhu, Yan-Yu; Jiao, Cheng-Qi; Sun, Zhen-Gang; Shi, Shao-Ping; Dai, Lu-Lu; Sun, Tong; Li, Wen-Zhu; Ma, Ming-Xue; Luo, Hui","Syntheses, crystal structures, surface photovoltage, luminescence and molecular recognition properties of zinc(ii) and iron(ii) carboxyphosphonates with 2D and 3D supramolecular structures","CrystEngComm","2014","16","6","1174","","10.1039/c3ce41976b","","","0.71073","MoKα","","0.061","0.0392","","","0.0635","0.0679","","","","","","1","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213863","15.209","0.003","14.377","0.003","12.81","0.003","90","","91.73","0.03","90","","2799.8","1","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C6 H66 Co5 N4 O57 V11 -","- C6 H20 Co5 N4 O57 V11 -","- C12 H40 Co10 N8 O114 V22 -","2","0.25","","Liang, Yue; Zhang, Zhi-Ming; Liu, Zhu-Jun; Zhang, Ying; Zhang, Jun; Wang, En-Bo","A cobalt-containing pseudosandwich-type polyoxometalate based on a lacunary Lindqvist polyoxovanadate","CrystEngComm","2014","16","6","1187","","10.1039/c3ce41278d","","","0.71073","MoKα","","0.0791","0.0717","","","0.1686","0.1727","","","","","","0.967","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213864","26.75","0.009","14.879","0.004","18.279","0.006","90","","107.645","0.005","90","","6933","4","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H33 Cl2 Cu N2 O6 -","- C34 H33 Cl2 Cu N2 O5.5 -","- C272 H264 Cl16 Cu8 N16 O44 -","8","1","","Guo, Fang; Shao, Hui-de; Yang, Qi; Famulari, Antonino; Martí-Rujas, Javier","Mechanochemical dehydrochlorination and chelation reaction in the solid state: from a molecular salt to a coordination complex","CrystEngComm","2014","16","6","969","","10.1039/c3ce41900b","","","0.71073","MoKα","","0.0732","0.0634","","","0.1451","0.1512","","","","","","1.15","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213865","15.971","0.004","16.246","0.003","16.318","0.004","90","","103.582","0.014","90","","4115.5","1.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 Cd Cl2 N2 O5 -","- C18 H14 Cd Cl2 N2 O5 -","- C144 H112 Cd8 Cl16 N16 O40 -","8","1","","Ren, Cai-Xia; Zheng, Ai-Li; Cai, Li-Xuan; Chen, Cheng; Tan, Bin; Zhang, Jie","Anion-induced structural transformation involving interpenetration control and luminescence switching","CrystEngComm","2014","16","6","1038","","10.1039/c3ce42164c","","","0.71073","MoKα","","0.0508","0.0429","","","0.1181","0.1272","","","","","","1.009","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213866","9.1906","0.0007","11.3629","0.0006","13.6819","0.0011","113.6","0.006","105.419","0.007","91.254","0.006","1248.81","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Cd N2 O9 -","- C26 H18 Cd N2 O9 -","- C52 H36 Cd2 N4 O18 -","2","1","","Ren, Cai-Xia; Zheng, Ai-Li; Cai, Li-Xuan; Chen, Cheng; Tan, Bin; Zhang, Jie","Anion-induced structural transformation involving interpenetration control and luminescence switching","CrystEngComm","2014","16","6","1038","","10.1039/c3ce42164c","","","1.54178","CuKα","","0.068","0.0604","","","0.1562","0.1629","","","","","","1.039","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213867","18.433","0.003","17.712","0.003","30.096","0.005","90","","90","","90","","9826","3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C88 H100 Cd3 Cl2 N8 O34 -","- C88 H64 Cd3 Cl2 N8 O34 -","- C352 H256 Cd12 Cl8 N32 O136 -","4","0.5","","Ren, Cai-Xia; Zheng, Ai-Li; Cai, Li-Xuan; Chen, Cheng; Tan, Bin; Zhang, Jie","Anion-induced structural transformation involving interpenetration control and luminescence switching","CrystEngComm","2014","16","6","1038","","10.1039/c3ce42164c","","","0.71073","MoKα","","0.0752","0.0648","","","0.2061","0.2198","","","","","","1.086","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213868","18.3083","0.0018","6.8191","0.0005","22.558","0.002","90","","101.519","0.001","90","","2759.6","0.4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 N10 -","- C32 H24 N10 -","- C128 H96 N40 -","4","1","","Ding, Caixia; Rui, Xing; Wang, Cheng; Xie, Yongshu","Coordination polymers of a multipyridyl and pyrazolyl ligand with conformational flexibility: syntheses, structures and luminescence","CrystEngComm","2014","16","6","1010","","10.1039/c3ce42147c","","","0.71073","MoKα","","0.0742","0.0444","","","0.0952","0.1061","","","","","","1.031","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213869","19.6653","0.0018","11.3358","0.0011","14.1097","0.0012","90","","90","","90","","3145.4","0.5","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H24 Cl2 N10 Zn -","- C32 H24 Cl2 N10 Zn -","- C128 H96 Cl8 N40 Zn4 -","4","1","","Ding, Caixia; Rui, Xing; Wang, Cheng; Xie, Yongshu","Coordination polymers of a multipyridyl and pyrazolyl ligand with conformational flexibility: syntheses, structures and luminescence","CrystEngComm","2014","16","6","1010","","10.1039/c3ce42147c","","","0.71073","MoKα","","0.1508","0.0639","","","0.1382","0.1952","","","","","","1.051","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213870","10.2118","0.0009","18.3727","0.0017","18.2062","0.0016","90","","96.234","0.001","90","","3395.6","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 Br2 N10 Zn -","- C32 H24 Br2 N10 Zn -","- C128 H96 Br8 N40 Zn4 -","4","1","","Ding, Caixia; Rui, Xing; Wang, Cheng; Xie, Yongshu","Coordination polymers of a multipyridyl and pyrazolyl ligand with conformational flexibility: syntheses, structures and luminescence","CrystEngComm","2014","16","6","1010","","10.1039/c3ce42147c","","","0.71073","MoKα","","0.1663","0.0865","","","0.2127","0.2488","","","","","","0.881","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213871","10.5859","0.0007","16.938","0.0014","19.398","0.002","90","","96.545","0.001","90","","3455.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 I2 N10 Zn -","- C32 H24 I2 N10 Zn -","- C128 H96 I8 N40 Zn4 -","4","1","","Ding, Caixia; Rui, Xing; Wang, Cheng; Xie, Yongshu","Coordination polymers of a multipyridyl and pyrazolyl ligand with conformational flexibility: syntheses, structures and luminescence","CrystEngComm","2014","16","6","1010","","10.1039/c3ce42147c","","","0.71073","MoKα","","0.133","0.0818","","","0.2048","0.2499","","","","","","1.023","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213872","7.821","0.0005","44.97","0.003","11.0991","0.0009","90","","134.49","0.002","90","","2784.8","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H48 Cd Cl2 N20 -","- C64 H48 Cd Cl2 N20 -","- C128 H96 Cd2 Cl4 N40 -","2","0.5","","Ding, Caixia; Rui, Xing; Wang, Cheng; Xie, Yongshu","Coordination polymers of a multipyridyl and pyrazolyl ligand with conformational flexibility: syntheses, structures and luminescence","CrystEngComm","2014","16","6","1010","","10.1039/c3ce42147c","","","0.71073","MoKα","","0.1047","0.0782","","","0.1815","0.1932","","","","","","1.178","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213873","7.9001","0.0007","44.62","0.003","8.0308","0.0004","90","","91.642","0.002","90","","2829.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H48 Br2 Cd N20 -","- C64 H48 Br2 Cd N20 -","- C128 H96 Br4 Cd2 N40 -","2","0.5","","Ding, Caixia; Rui, Xing; Wang, Cheng; Xie, Yongshu","Coordination polymers of a multipyridyl and pyrazolyl ligand with conformational flexibility: syntheses, structures and luminescence","CrystEngComm","2014","16","6","1010","","10.1039/c3ce42147c","","","0.71073","MoKα","","0.0983","0.0541","","","0.0995","0.1215","","","","","","1.059","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213874","10.8437","0.0011","16.6662","0.0016","19.6797","0.0018","90","","96.639","0.001","90","","3532.7","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 Cd I2 N10 -","- C32 H24 Cd I2 N10 -","- C128 H96 Cd4 I8 N40 -","4","1","","Ding, Caixia; Rui, Xing; Wang, Cheng; Xie, Yongshu","Coordination polymers of a multipyridyl and pyrazolyl ligand with conformational flexibility: syntheses, structures and luminescence","CrystEngComm","2014","16","6","1010","","10.1039/c3ce42147c","","","0.71073","MoKα","","0.0815","0.0513","","","0.1309","0.1444","","","","","","1.091","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213875","36.645","0.003","8.739","0.0006","25.427","0.002","90","","104.304","0.001","90","","7890.3","1","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C75 H70 Cl2 Co2 N25 O12 S2 -","- C75.006 H70.012 Cl2 Co2 N25 O12 S2 -","- C300.024 H280.048 Cl8 Co8 N100 O48 S8 -","4","0.5","","Ding, Caixia; Rui, Xing; Wang, Cheng; Xie, Yongshu","Coordination polymers of a multipyridyl and pyrazolyl ligand with conformational flexibility: syntheses, structures and luminescence","CrystEngComm","2014","16","6","1010","","10.1039/c3ce42147c","","","0.71073","MoKα","","0.1042","0.062","","","0.1585","0.1753","","","","","","1.067","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213876","34.166","0.003","8.528","0.0009","24.721","0.002","90","","99.831","0.002","90","","7097.1","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H48 Cl3 Cu2 N23 O12 -","- C64 H48 Cl3 Cu2 N23 O12 -","- C256 H192 Cl12 Cu8 N92 O48 -","4","0.5","","Ding, Caixia; Rui, Xing; Wang, Cheng; Xie, Yongshu","Coordination polymers of a multipyridyl and pyrazolyl ligand with conformational flexibility: syntheses, structures and luminescence","CrystEngComm","2014","16","6","1010","","10.1039/c3ce42147c","","","0.71073","MoKα","","0.0726","0.0582","","","0.1777","0.1882","","","","","","1.072","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213877","25.574","0.002","8.7383","0.0008","18.346","0.002","90","","116.964","0.001","90","","3654.2","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H22 Cl2 N2 O Ru -","- C17 H22 Cl2 N2 O Ru -","- C136 H176 Cl16 N16 O8 Ru8 -","8","1","","Bacchi, A.; Cantoni, G.; Crocco, D.; Granelli, M.; Pagano, P.; Pelagatti, P.","Hydrogen-bond networks in polymorphs and solvates of metallorganic complexes containing ruthenium and aminoamide ligands","CrystEngComm","2014","16","6","1001","","10.1039/c3ce41920g","","","0.71073","MoKα","","0.0806","0.0448","","","0.0929","0.1171","","","","","","1.205","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213878","8.723","0.009","9.227","0.009","12.62","0.01","74.26","0.01","69.8","0.01","89.74","0.01","913","1.5","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C17 H22 Cl2 N2 O Ru -","- C17 H22 Cl2 N2 O Ru -","- C34 H44 Cl4 N4 O2 Ru2 -","2","2","","Bacchi, A.; Cantoni, G.; Crocco, D.; Granelli, M.; Pagano, P.; Pelagatti, P.","Hydrogen-bond networks in polymorphs and solvates of metallorganic complexes containing ruthenium and aminoamide ligands","CrystEngComm","2014","16","6","1001","","10.1039/c3ce41920g","","","0.71073","MoKα","","0.1761","0.1265","","","0.3327","0.3864","","","","","","1.5","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213879","7.766","0.001","9.144","0.001","15.613","0.002","83.304","0.003","82.977","0.003","69.036","0.003","1024.4","0.2","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H26 Cl2 N2 O2 Ru -","- C18 H26 Cl2 N2 O2 Ru -","- C36 H52 Cl4 N4 O4 Ru2 -","2","1","","Bacchi, A.; Cantoni, G.; Crocco, D.; Granelli, M.; Pagano, P.; Pelagatti, P.","Hydrogen-bond networks in polymorphs and solvates of metallorganic complexes containing ruthenium and aminoamide ligands","CrystEngComm","2014","16","6","1001","","10.1039/c3ce41920g","","","0.71073","MoKα","","0.0556","0.048","","","0.1241","0.1279","","","","","","1.01","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213880","7.6649","0.0009","9.0707","0.0011","19.817","0.002","87.882","0.002","89.682","0.002","70.084","0.002","1294.5","0.3","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H32 Cl2 N2 O2 Ru -","- C25 H32 Cl2 N2 O2 Ru -","- C50 H64 Cl4 N4 O4 Ru2 -","2","1","","Bacchi, A.; Cantoni, G.; Crocco, D.; Granelli, M.; Pagano, P.; Pelagatti, P.","Hydrogen-bond networks in polymorphs and solvates of metallorganic complexes containing ruthenium and aminoamide ligands","CrystEngComm","2014","16","6","1001","","10.1039/c3ce41920g","","","0.71073","MoKα","","0.0349","0.0276","","","0.0665","0.0698","","","","","","0.91","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213881","9.516","0.005","9.814","0.005","14.001","0.005","74.216","0.005","82.094","0.005","67.846","0.005","1164.5","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H28 Cl2 N2 O2 Ru -","- C23 H28 Cl2 N2 O2 Ru -","- C46 H56 Cl4 N4 O4 Ru2 -","2","1","","Bacchi, A.; Cantoni, G.; Crocco, D.; Granelli, M.; Pagano, P.; Pelagatti, P.","Hydrogen-bond networks in polymorphs and solvates of metallorganic complexes containing ruthenium and aminoamide ligands","CrystEngComm","2014","16","6","1001","","10.1039/c3ce41920g","","","0.71073","MoKα","","0.0295","0.0267","","","0.0671","0.0684","","","","","","1.068","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213882","9.3925","0.0012","10.0156","0.0016","12.669","0.0016","84.282","0.002","80.105","0.002","71.028","0.002","1109.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H14 Co N4 O6 S2 -","- C23 H14 Co N4 O6 S2 -","- C46 H28 Co2 N8 O12 S4 -","2","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, and photoluminescent properties of a series of metal‒organic frameworks constructed by 5,5′-bis(1H-imidazol-1-yl)-2,2′-bithiophene and various carboxylate ligands","CrystEngComm","2014","16","5","900","","10.1039/c3ce41966e","","","0.71073","MoKα","","0.0318","0.0284","","","0.0985","0.1007","","","","","","1.06","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213883","10.2077","0.0006","10.5027","0.0006","14.5086","0.0009","94.454","0.001","98.649","0.001","91.289","0.001","1532.19","0.16","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H18 Co F6 N4 O4 S2 -","- C31 H18 Co F6 N4 O4 S2 -","- C62 H36 Co2 F12 N8 O8 S4 -","2","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, and photoluminescent properties of a series of metal‒organic frameworks constructed by 5,5′-bis(1H-imidazol-1-yl)-2,2′-bithiophene and various carboxylate ligands","CrystEngComm","2014","16","5","900","","10.1039/c3ce41966e","","","0.71073","MoKα","","0.0699","0.0531","","","0.1497","0.1569","","","","","","1.05","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213884","17.8224","0.0012","27.27","0.0019","18.3256","0.0012","90","","110.532","0.001","90","","8340.8","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C88 H56 N16 O16 S8 Zn4 -","- C88 H56 N16 O16 S8 Zn4 -","- C352 H224 N64 O64 S32 Zn16 -","4","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, and photoluminescent properties of a series of metal‒organic frameworks constructed by 5,5′-bis(1H-imidazol-1-yl)-2,2′-bithiophene and various carboxylate ligands","CrystEngComm","2014","16","5","900","","10.1039/c3ce41966e","","","0.71073","MoKα","","0.0646","0.0468","","","0.1054","0.1068","","","","","","1","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213885","21.33","0.003","8.1009","0.0013","30.993","0.003","90","","122.46","0.007","90","","4518.7","1.1","296","2","296","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C41 H21 F12 N2 O8 S Zn2 -","- C41 H21 F12 N2 O8 S Zn2 -","- C164 H84 F48 N8 O32 S4 Zn8 -","4","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, and photoluminescent properties of a series of metal‒organic frameworks constructed by 5,5′-bis(1H-imidazol-1-yl)-2,2′-bithiophene and various carboxylate ligands","CrystEngComm","2014","16","5","900","","10.1039/c3ce41966e","","","0.71073","MoKα","","0.0704","0.0424","","","0.1014","0.1091","","","","","","1.002","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213886","9.5686","0.0008","10.3542","0.0008","11.0911","0.0009","80.148","0.001","83.52","0.001","72.515","0.001","1030.42","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H14 Cd N4 O4 S2 -","- C22 H14 Cd N4 O4 S2 -","- C44 H28 Cd2 N8 O8 S4 -","2","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, and photoluminescent properties of a series of metal‒organic frameworks constructed by 5,5′-bis(1H-imidazol-1-yl)-2,2′-bithiophene and various carboxylate ligands","CrystEngComm","2014","16","5","900","","10.1039/c3ce41966e","","","0.71073","MoKα","","0.0301","0.0276","","","0.0704","0.0716","","","","","","1.013","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213887","9.4003","0.0006","9.8766","0.0007","12.0339","0.0008","82.475","0.001","80.707","0.001","72.367","0.001","1046.79","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H14 N4 O5 S2 Zn -","- C22 H14 N4 O5 S2 Zn -","- C44 H28 N8 O10 S4 Zn2 -","2","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, and photoluminescent properties of a series of metal‒organic frameworks constructed by 5,5′-bis(1H-imidazol-1-yl)-2,2′-bithiophene and various carboxylate ligands","CrystEngComm","2014","16","5","900","","10.1039/c3ce41966e","","","0.71073","MoKα","","0.0286","0.0256","","","0.0817","0.0836","","","","","","1.028","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213888","10.4879","0.001","20.6148","0.0019","15.51","0.0011","90","","121.819","0.005","90","","2849.4","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N4 O4 S2 Zn -","- C24 H24 N4 O4 S2 Zn -","- C96 H96 N16 O16 S8 Zn4 -","4","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, and photoluminescent properties of a series of metal‒organic frameworks constructed by 5,5′-bis(1H-imidazol-1-yl)-2,2′-bithiophene and various carboxylate ligands","CrystEngComm","2014","16","5","900","","10.1039/c3ce41966e","","","0.71073","MoKα","","0.0672","0.0512","","","0.1348","0.1367","","","","","","1.092","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213889","11.4985","0.0003","21.276","0.0006","21.4387","0.0006","77.071","0.002","80.672","0.002","88.411","0.002","5044","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H53 Co2 N7 O19 -","- C61 H53 Co2 N7 O19 -","- C122 H106 Co4 N14 O38 -","2","1","","Li, Huimin; Zhou, Jingmin; Shi, Wei; Zhang, Xuejing; Zhang, Zhenjie; Zhang, Meng; Cheng, Peng","Structural diversity of four new metal‒organic frameworks with a curved tetracarboxdiimide dicarboxylic acid","CrystEngComm","2014","16","5","834","","10.1039/c3ce41805g","","","0.7107","MoKα","","0.0756","0.0565","","","0.1683","0.1788","","","","","","0.922","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213890","11.744","0.002","19.878","0.004","36.094","0.007","90","","90","","90","","8426","3","293","2","293","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C26 H16 Cu N2 O9 -","- C26 H16 Cu N2 O9 -","- C208 H128 Cu8 N16 O72 -","8","0.5","","Li, Huimin; Zhou, Jingmin; Shi, Wei; Zhang, Xuejing; Zhang, Zhenjie; Zhang, Meng; Cheng, Peng","Structural diversity of four new metal‒organic frameworks with a curved tetracarboxdiimide dicarboxylic acid","CrystEngComm","2014","16","5","834","","10.1039/c3ce41805g","","","0.71073","MoKα","","0.1248","0.0793","","","0.2195","0.2488","","","","","","1.044","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213891","11.7133","0.0003","18.7995","0.0005","24.1755","0.0006","90","","90","","90","","5323.5","0.2","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C20 H16 N3 O8 Zn -","- C20 H16 N3 O8 Zn -","- C160 H128 N24 O64 Zn8 -","8","1","","Li, Huimin; Zhou, Jingmin; Shi, Wei; Zhang, Xuejing; Zhang, Zhenjie; Zhang, Meng; Cheng, Peng","Structural diversity of four new metal‒organic frameworks with a curved tetracarboxdiimide dicarboxylic acid","CrystEngComm","2014","16","5","834","","10.1039/c3ce41805g","","","0.71073","MoKα","","0.0812","0.0629","","","0.1713","0.1834","","","","","","1.053","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213892","15.1796","0.0007","15.6453","0.0005","16.984","0.0015","90","","119.218","0.005","90","","3520.3","0.4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C55 H41 Cd2 N5 O20 -","- C55 H41 Cd2 N5 O20 -","- C110 H82 Cd4 N10 O40 -","2","0.5","","Li, Huimin; Zhou, Jingmin; Shi, Wei; Zhang, Xuejing; Zhang, Zhenjie; Zhang, Meng; Cheng, Peng","Structural diversity of four new metal‒organic frameworks with a curved tetracarboxdiimide dicarboxylic acid","CrystEngComm","2014","16","5","834","","10.1039/c3ce41805g","","","0.71073","MOKα","","0.1062","0.0867","","","0.2439","0.2622","","","","","","1.069","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213893","5.5791","0.0016","7.683","0.003","16.223","0.004","89.07","0.02","83.89","0.02","84.51","0.03","688.3","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H12 Br N O -","- C17 H12 Br N O -","- C34 H24 Br2 N2 O2 -","2","1","","Khavasi, Hamid Reza; Ghanbarpour, Alireza; Tehrani, Alireza Azhdari","Synthon crossover between halogen⋯π and halogen⋯halogen interaction","CrystEngComm","2014","16","5","749","","10.1039/c3ce41853g","","","0.71073","MoKα","","0.1319","0.0754","","","0.1368","0.1571","","","","","","1.179","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213894","5.5931","0.0012","7.6167","0.0019","15.88","0.004","88.41","0.02","83.971","0.018","84.915","0.019","670","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H12 Cl N O -","- C17 H12 Cl N O -","- C34 H24 Cl2 N2 O2 -","2","1","","Khavasi, Hamid Reza; Ghanbarpour, Alireza; Tehrani, Alireza Azhdari","Synthon crossover between halogen⋯π and halogen⋯halogen interaction","CrystEngComm","2014","16","5","749","","10.1039/c3ce41853g","","","0.71073","MoKα","","0.1012","0.0954","","","0.1231","0.1542","","","","","","1.166","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213895","5.6099","0.0014","7.6163","0.0019","14.943","0.003","88.73","0.019","84.005","0.019","85.28","0.02","632.8","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H12 F N O -","- C17 H12 F N O -","- C34 H24 F2 N2 O2 -","2","1","","Khavasi, Hamid Reza; Ghanbarpour, Alireza; Tehrani, Alireza Azhdari","Synthon crossover between halogen⋯π and halogen⋯halogen interaction","CrystEngComm","2014","16","5","749","","10.1039/c3ce41853g","","","0.71073","MoKα","","0.107","0.0631","","","0.1718","0.2027","","","","","","1.076","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213896","32.1685","0.0016","10.7211","0.0004","8.2676","0.0005","90","","95.678","0.004","90","","2837.4","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 I N O -","- C17 H12 I N O -","- C136 H96 I8 N8 O8 -","8","1","","Khavasi, Hamid Reza; Ghanbarpour, Alireza; Tehrani, Alireza Azhdari","Synthon crossover between halogen⋯π and halogen⋯halogen interaction","CrystEngComm","2014","16","5","749","","10.1039/c3ce41853g","","","0.71073","MoKα","","0.0793","0.0536","","","0.1177","0.1292","","","","","","1.11","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213897","6.364","0.003","17.187","0.009","12.649","0.007","90","","102.71","0.04","90","","1349.6","1.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 Br N2 O -","- C16 H11 Br N2 O -","- C64 H44 Br4 N8 O4 -","4","1","","Khavasi, Hamid Reza; Ghanbarpour, Alireza; Tehrani, Alireza Azhdari","Synthon crossover between halogen⋯π and halogen⋯halogen interaction","CrystEngComm","2014","16","5","749","","10.1039/c3ce41853g","","","0.71073","MoKα","","0.0951","0.0843","","","0.1432","0.1639","","","","","","1.15","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213898","14.176","0.003","6.0252","0.0011","15.551","0.004","90","","98.311","0.019","90","","1314.3","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 Cl N2 O -","- C16 H11 Cl N2 O -","- C64 H44 Cl4 N8 O4 -","4","1","","Khavasi, Hamid Reza; Ghanbarpour, Alireza; Tehrani, Alireza Azhdari","Synthon crossover between halogen⋯π and halogen⋯halogen interaction","CrystEngComm","2014","16","5","749","","10.1039/c3ce41853g","","","0.71073","MoKα","","0.102","0.0826","","","0.1223","0.1423","","","","","","1.16","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213899","4.9506","0.0003","14.5932","0.0014","17.6779","0.0013","90","","90","","90","","1277.14","0.17","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 F N2 O -","- C16 H11 F N2 O -","- C64 H44 F4 N8 O4 -","4","1","","Khavasi, Hamid Reza; Ghanbarpour, Alireza; Tehrani, Alireza Azhdari","Synthon crossover between halogen⋯π and halogen⋯halogen interaction","CrystEngComm","2014","16","5","749","","10.1039/c3ce41853g","","","0.71073","MoKα","","0.1199","0.0731","","","0.1387","0.1559","","","","","","1.093","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213900","6.548","0.002","17.029","0.005","12.714","0.005","90","","102.06","0.03","90","","1386.4","0.8","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 I N2 O -","- C16 H11 I N2 O -","- C64 H44 I4 N8 O4 -","4","1","","Khavasi, Hamid Reza; Ghanbarpour, Alireza; Tehrani, Alireza Azhdari","Synthon crossover between halogen⋯π and halogen⋯halogen interaction","CrystEngComm","2014","16","5","749","","10.1039/c3ce41853g","","","0.71073","MoKα","","0.0516","0.0411","","","0.1154","0.1216","","","","","","1.157","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213901","18.3217","0.0018","11.4532","0.0013","21.918","0.002","90","","110.307","0.005","90","","4313.5","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H65 Cu2 N O12 -","- C33 H65 Cu2 N O12 -","- C132 H260 Cu8 N4 O48 -","4","1","","Nesterova, Oksana V.; Kirillova, Marina V.; Guedes da Silva, M. Fátima C.; Boča, Roman; Pombeiro, Armando J. L.","How to force a classical chelating ligand to a metal non-chelating bridge: the observation of a rare coordination mode of diethanolamine in the 1D complex {[Cu2(Piv)4(H3tBuDea)](Piv)}n","CrystEngComm","2014","16","5","775","","10.1039/c3ce41657g","","","0.71069","MoKα","","0.0779","0.0489","","","0.1194","0.1347","","","","","","1.01","","","","has coordinates,has disorder","180470","2020-10-21","18:00:00",""
"7213902","28.41","0.008","8.844","0.003","7.497","0.002","90","","90","","90","","1883.7","1","173","2","173","2","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- C19 H19 Mn N O7 -","- C19 H12 Mn N O7 -","- C76 H48 Mn4 N4 O28 -","4","0.5","","Luo, Rui; Xu, Heng; Gu, Hao-Xue; Wang, Xin; Xu, Yan; Shen, Xuan; Bao, Weiwei; Zhu, Dun-Ru","Four MOFs with 2,2′-dimethoxy-4,4′-biphenyldicarboxylic acid: syntheses, structures, topologies and properties","CrystEngComm","2014","16","5","784","","10.1039/c3ce41428k","","","0.71073","MoKα","","0.0469","0.0417","","","0.1091","0.1231","","","","","","1.164","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213903","7.631","0.002","9.033","0.003","14.87","0.004","106.822","0.003","96.077","0.003","91.721","0.003","973.6","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 N Ni O9 -","- C19 H23 N Ni O9 -","- C38 H46 N2 Ni2 O18 -","2","1","","Luo, Rui; Xu, Heng; Gu, Hao-Xue; Wang, Xin; Xu, Yan; Shen, Xuan; Bao, Weiwei; Zhu, Dun-Ru","Four MOFs with 2,2′-dimethoxy-4,4′-biphenyldicarboxylic acid: syntheses, structures, topologies and properties","CrystEngComm","2014","16","5","784","","10.1039/c3ce41428k","","","0.71073","MoKα","","0.0427","0.0328","","","0.0766","0.0809","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213904","27.086","0.003","27.086","0.003","6.7052","0.0009","90","","90","","90","","4919.3","1","296","2","296","2","","","","","","","","4","P 4/n b m :2","-P 4a 2b","125","","","","- C16 H12 Cu O7 -","- C16 H12 Cu O7 -","- C128 H96 Cu8 O56 -","8","0.5","","Luo, Rui; Xu, Heng; Gu, Hao-Xue; Wang, Xin; Xu, Yan; Shen, Xuan; Bao, Weiwei; Zhu, Dun-Ru","Four MOFs with 2,2′-dimethoxy-4,4′-biphenyldicarboxylic acid: syntheses, structures, topologies and properties","CrystEngComm","2014","16","5","784","","10.1039/c3ce41428k","","","0.71073","MoKα","","0.0577","0.0544","","","0.182","0.1844","","","","","","1.156","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213905","21.769","0.002","21.769","0.002","44.426","0.009","90","","90","","90","","21053","5","296","2","296","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C168 H148 Cd7 N4 Na2 O60 -","- C168 H145 Cd7 N4 Na2 O60 -","- C672 H580 Cd28 N16 Na8 O240 -","4","0.25","","Luo, Rui; Xu, Heng; Gu, Hao-Xue; Wang, Xin; Xu, Yan; Shen, Xuan; Bao, Weiwei; Zhu, Dun-Ru","Four MOFs with 2,2′-dimethoxy-4,4′-biphenyldicarboxylic acid: syntheses, structures, topologies and properties","CrystEngComm","2014","16","5","784","","10.1039/c3ce41428k","","","0.71073","MoKα","","0.0635","0.0565","","","0.1642","0.1703","","","","","","1.096","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7213906","16.842","0.0002","16.842","0.0002","7.249","0.0002","90","","90","","90","","2056.2","0.07","296","2","296","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C2 H15 N6 O5 P -","- C2 H15 N6 O5 P -","- C16 H120 N48 O40 P8 -","8","1","","Liu, Xitao; Wang, Xinqiang; Yin, Xin; Liu, Shande; He, Wen; Zhu, Luyi; Zhang, Guanghui; Xu, Dong","Bulk growth and physical properties of diguanidinium phosphate monohydrate (G2HP) as a multi-functional crystal","CrystEngComm","2014","16","5","930","","10.1039/c3ce41896k","","","0.71073","MoKα","","0.0423","0.0313","","","0.069","0.0752","","","","","","1.024","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213907","18.867","0.004","17.119","0.003","28.504","0.005","90","","112.252","0.011","90","","8521","3","113","2","113","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H56.5 Cl6 Co8 N31.5 O9 -","- C60 H36 Cl6 Co8 N24 O6 -","- C240 H144 Cl24 Co32 N96 O24 -","4","1","","Han, Song-De; Chen, Yong-Qiang; Zhao, Jiong-Peng; Liu, Sui-Jun; Miao, Xiao-Hong; Hu, Tong-Liang; Bu, Xian-He","Solvent-induced structural diversities from discrete cup-shaped Co8 clusters to Co8 cluster-based chains accompanied by in situ ligand conversion","CrystEngComm","2014","16","5","753","","10.1039/c3ce42007h","","","0.71075","MoKα","","0.1021","0.0831","","","0.1972","0.2079","","","","","","1.039","","","","has coordinates,has disorder","180470","2020-10-21","18:00:00",""
"7213908","30.195","0.005","20.367","0.004","33.896","0.004","90","","123.24","0.01","90","","17435","5","113","","113","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C136 H134 Cl8 Co16 N48 O27 -","- C126 H87 Cl8 Co16 N48 O17 -","- C504 H348 Cl32 Co64 N192 O68 -","4","1","","Han, Song-De; Chen, Yong-Qiang; Zhao, Jiong-Peng; Liu, Sui-Jun; Miao, Xiao-Hong; Hu, Tong-Liang; Bu, Xian-He","Solvent-induced structural diversities from discrete cup-shaped Co8 clusters to Co8 cluster-based chains accompanied by in situ ligand conversion","CrystEngComm","2014","16","5","753","","10.1039/c3ce42007h","","","0.71075","MoKα","","0.0854","0.0689","","","0.189","0.2038","","","","","","1.017","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213909","34.484","0.01","20.624","0.006","23.922","0.007","90","","90","","90","","17013","9","113","","113","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C140 H171 Cl8 Co16 N48 O41.5 -","- C124 H81 Cl8 Co16 N48 O16 -","- C496 H324 Cl32 Co64 N192 O64 -","4","1","","Han, Song-De; Chen, Yong-Qiang; Zhao, Jiong-Peng; Liu, Sui-Jun; Miao, Xiao-Hong; Hu, Tong-Liang; Bu, Xian-He","Solvent-induced structural diversities from discrete cup-shaped Co8 clusters to Co8 cluster-based chains accompanied by in situ ligand conversion","CrystEngComm","2014","16","5","753","","10.1039/c3ce42007h","","","0.71075","MoKα","","0.0905","0.0758","","","0.184","0.1961","","","","","","1.012","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213910","18.0747","0.0017","11.8777","0.0011","12.5442","0.0012","90","","90","","90","","2693.1","0.4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H24 Cu3 N4 O12 -","- C26 H24 Cu3 N4 O12 -","- C104 H96 Cu12 N16 O48 -","4","0.5","","Chang, Xin-Hong; Qin, Jian-Hua; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Exploring the structural diversities and magnetic properties of copper(ii) and manganese(ii) complexes based on 5-methoxyisophthalate and flexible bis(imidazole) ligands","CrystEngComm","2014","16","5","870","","10.1039/c3ce41641k","","","0.71073","MoKα","","0.034","0.0249","","","0.0625","0.0664","","","","","","1.029","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213911","9.703","0.002","9.703","0.002","13.09","0.003","80.909","0.002","77.613","0.002","62.896","0.002","1068.9","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H44 Cu2 N8 O11 -","- C46 H42 Cu2 N8 O11 -","- C46 H42 Cu2 N8 O11 -","1","0.5","","Chang, Xin-Hong; Qin, Jian-Hua; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Exploring the structural diversities and magnetic properties of copper(ii) and manganese(ii) complexes based on 5-methoxyisophthalate and flexible bis(imidazole) ligands","CrystEngComm","2014","16","5","870","","10.1039/c3ce41641k","","","0.71073","MoKα","","0.0538","0.038","","","0.094","0.1039","","","","","","1.003","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213912","10.809","0.01","10.847","0.01","12.549","0.011","93.404","0.011","90.14","0.011","118.89","0.01","1285","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H28 Cu N4 O7 -","- C27 H28 Cu N4 O7 -","- C54 H56 Cu2 N8 O14 -","2","1","","Chang, Xin-Hong; Qin, Jian-Hua; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Exploring the structural diversities and magnetic properties of copper(ii) and manganese(ii) complexes based on 5-methoxyisophthalate and flexible bis(imidazole) ligands","CrystEngComm","2014","16","5","870","","10.1039/c3ce41641k","","","0.71073","MoKα","","0.0973","0.0533","","","0.1016","0.1205","","","","","","1.01","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213913","9.846","0.007","14.108","0.01","19.466","0.014","97.416","0.008","104.173","0.008","104.323","0.009","2488","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H46 Mn3 N4 O26 -","- C44 H46 Mn3 N4 O26 -","- C88 H92 Mn6 N8 O52 -","2","1","","Chang, Xin-Hong; Qin, Jian-Hua; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Exploring the structural diversities and magnetic properties of copper(ii) and manganese(ii) complexes based on 5-methoxyisophthalate and flexible bis(imidazole) ligands","CrystEngComm","2014","16","5","870","","10.1039/c3ce41641k","","","0.71073","MoKα","","0.0854","0.044","","","0.0913","0.1098","","","","","","1.011","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213914","9.6214","0.001","10.068","0.0011","12.9326","0.0014","80.07","0.001","81.24","0.001","62.315","0.001","1089","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 Mn N4 O5 -","- C23 H20 Mn N4 O5 -","- C46 H40 Mn2 N8 O10 -","2","1","","Chang, Xin-Hong; Qin, Jian-Hua; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Exploring the structural diversities and magnetic properties of copper(ii) and manganese(ii) complexes based on 5-methoxyisophthalate and flexible bis(imidazole) ligands","CrystEngComm","2014","16","5","870","","10.1039/c3ce41641k","","","0.71073","MoKα","","0.0442","0.0353","","","0.0999","0.1071","","","","","","1.042","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213915","16.564","0.004","18.302","0.004","15.879","0.003","90","","90","","90","","4813.8","1.8","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C27 H24 Mn N4 O5 -","- C27 H24 Mn N4 O5 -","- C216 H192 Mn8 N32 O40 -","8","1","","Chang, Xin-Hong; Qin, Jian-Hua; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Exploring the structural diversities and magnetic properties of copper(ii) and manganese(ii) complexes based on 5-methoxyisophthalate and flexible bis(imidazole) ligands","CrystEngComm","2014","16","5","870","","10.1039/c3ce41641k","","","0.71073","MoKα","","0.1346","0.0543","","","0.1072","0.1421","","","","","","0.993","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213916","8.1401","0.0014","18.984","0.003","35.484","0.006","97.85","0.004","94.141","0.004","97.048","0.004","5368.9","1.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C168 H220 N60 Ni6 O26 -","- C168 H220 N60 Ni6 O26 -","- C168 H220 N60 Ni6 O26 -","1","0.5","","Jiang, Xiang; Li, Zijian; Zhai, Yanyun; Yan, Ge; Xia, Hua; Li, Zhaohao","Porous coordination polymers based on azamacrocyclic complex: syntheses, solvent-induced reversible crystal-to-crystal transformation and gas sorption properties","CrystEngComm","2014","16","5","805","","10.1039/c3ce42021c","","","0.71073","MoKα","","0.1636","0.0872","","","0.2149","0.2432","","","","","","1.006","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7213917","31.537","0.005","20.222","0.005","18.93","0.004","90","","120.102","0.004","90","","10444","4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C180 H244 N64 Ni6 O28 -","- C180 H244 N64 Ni6 O28 -","- C360 H488 N128 Ni12 O56 -","2","0.25","","Jiang, Xiang; Li, Zijian; Zhai, Yanyun; Yan, Ge; Xia, Hua; Li, Zhaohao","Porous coordination polymers based on azamacrocyclic complex: syntheses, solvent-induced reversible crystal-to-crystal transformation and gas sorption properties","CrystEngComm","2014","16","5","805","","10.1039/c3ce42021c","","","0.71073","MoKα","","0.1797","0.0755","","","0.1627","0.1834","","","","","","1.045","","","","has coordinates,has disorder","180470","2020-10-21","18:00:00",""
"7213918","8.589","0.004","17.784","0.009","38.729","0.019","90","","102.629","0.011","90","","5773","5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H114 N24 Ni3 O18 -","- C96 H114 N24 Ni3 O18 -","- C192 H228 N48 Ni6 O36 -","2","0.5","","Jiang, Xiang; Li, Zijian; Zhai, Yanyun; Yan, Ge; Xia, Hua; Li, Zhaohao","Porous coordination polymers based on azamacrocyclic complex: syntheses, solvent-induced reversible crystal-to-crystal transformation and gas sorption properties","CrystEngComm","2014","16","5","805","","10.1039/c3ce42021c","","","0.71073","MoKα","","0.151","0.0693","","","0.131","0.1492","","","","","","1.013","","","","has coordinates,has disorder","180470","2020-10-21","18:00:00",""
"7213919","14.6204","0.001","7.6631","0.0004","16.002","0.002","90","","97.234","0.009","90","","1778.6","0.3","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C5 H10 N3 O4 P -","- C5 H10 N3 O4 P -","- C40 H80 N24 O32 P8 -","8","1","","Hursthouse, Michael B.; Montis, Riccardo; Niitsoo, Liisa; Sarson, Jonathan; Threlfall, Terence L.; Asiri, Abdullah Mohamed; Khan, Salman Ahmad; Obaid, Abdullah Yousef; Al-Harbi, Laila Mohammad","Anhydrates and/or hydrates in nitrate, sulphate and phosphate salts of 4-aminopyridine, (4-AP) and 3,4-diaminopyridine (3,4-DAP): the role of the water molecules in the hydrates","CrystEngComm","2014","16","11","2205","","10.1039/c3ce42471e","","","0.71073","MoKα","","0.0405","0.0332","","","0.0973","0.1008","","","","","","1.11","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213920","10.9507","0.0004","6.4615","0.0002","11.2614","0.0003","90","","102.988","0.002","90","","776.45","0.04","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-aminopyridinium_hydrogenosulfate","","","- C5 H8 N2 O4 S -","- C5 H8 N2 O4 S -","- C20 H32 N8 O16 S4 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Niitsoo, Liisa; Sarson, Jonathan; Threlfall, Terence L.; Asiri, Abdullah Mohamed; Khan, Salman Ahmad; Obaid, Abdullah Yousef; Al-Harbi, Laila Mohammad","Anhydrates and/or hydrates in nitrate, sulphate and phosphate salts of 4-aminopyridine, (4-AP) and 3,4-diaminopyridine (3,4-DAP): the role of the water molecules in the hydrates","CrystEngComm","2014","16","11","2205","","10.1039/c3ce42471e","","","0.71073","MoKα","","0.0409","0.033","","","0.0944","0.1","","","","","","1.065","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213921","9.1718","0.0006","6.9081","0.0004","10.8243","0.0007","90","","93.617","0.007","90","","684.46","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 N3 O3 -","- C5 H7 N3 O3 -","- C20 H28 N12 O12 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Niitsoo, Liisa; Sarson, Jonathan; Threlfall, Terence L.; Asiri, Abdullah Mohamed; Khan, Salman Ahmad; Obaid, Abdullah Yousef; Al-Harbi, Laila Mohammad","Anhydrates and/or hydrates in nitrate, sulphate and phosphate salts of 4-aminopyridine, (4-AP) and 3,4-diaminopyridine (3,4-DAP): the role of the water molecules in the hydrates","CrystEngComm","2014","16","11","2205","","10.1039/c3ce42471e","","","0.71073","MoKα","","0.0579","0.0518","","","0.1411","0.1433","","","","","","1.042","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213922","7.2785","0.0004","7.9141","0.0004","8.9022","0.0006","77.651","0.006","71.756","0.005","67.405","0.005","447.06","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H11 N2 O5 P -","- C5 H11 N2 O5 P -","- C10 H22 N4 O10 P2 -","2","1","","Hursthouse, Michael B.; Montis, Riccardo; Niitsoo, Liisa; Sarson, Jonathan; Threlfall, Terence L.; Asiri, Abdullah Mohamed; Khan, Salman Ahmad; Obaid, Abdullah Yousef; Al-Harbi, Laila Mohammad","Anhydrates and/or hydrates in nitrate, sulphate and phosphate salts of 4-aminopyridine, (4-AP) and 3,4-diaminopyridine (3,4-DAP): the role of the water molecules in the hydrates","CrystEngComm","2014","16","11","2205","","10.1039/c3ce42471e","","","0.71073","MoKα","","0.0308","0.027","","","0.0726","0.0791","","","","","","1.147","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213923","6.4515","0.0002","8.4229","0.0002","12.4728","0.0008","96.429","0.007","97.523","0.007","95.349","0.007","663.7","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H16 N4 O5 S -","- C10 H16 N4 O5 S -","- C20 H32 N8 O10 S2 -","2","1","","Hursthouse, Michael B.; Montis, Riccardo; Niitsoo, Liisa; Sarson, Jonathan; Threlfall, Terence L.; Asiri, Abdullah Mohamed; Khan, Salman Ahmad; Obaid, Abdullah Yousef; Al-Harbi, Laila Mohammad","Anhydrates and/or hydrates in nitrate, sulphate and phosphate salts of 4-aminopyridine, (4-AP) and 3,4-diaminopyridine (3,4-DAP): the role of the water molecules in the hydrates","CrystEngComm","2014","16","11","2205","","10.1039/c3ce42471e","","","0.71073","MoKα","","0.0375","0.0326","","","0.1001","0.1134","","","","","","1.192","","","","has coordinates,has disorder","301864","2025-08-22","15:14:32",""
"7213924","7.0735","0.0005","11.0546","0.0008","9.4018","0.0006","90","","92.308","0.007","90","","734.57","0.09","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H8 N4 O3 -","- C5 H8 N4 O3 -","- C20 H32 N16 O12 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Niitsoo, Liisa; Sarson, Jonathan; Threlfall, Terence L.; Asiri, Abdullah Mohamed; Khan, Salman Ahmad; Obaid, Abdullah Yousef; Al-Harbi, Laila Mohammad","Anhydrates and/or hydrates in nitrate, sulphate and phosphate salts of 4-aminopyridine, (4-AP) and 3,4-diaminopyridine (3,4-DAP): the role of the water molecules in the hydrates","CrystEngComm","2014","16","11","2205","","10.1039/c3ce42471e","","","0.71073","MoKα","","0.0409","0.0338","","","0.0853","0.0884","","","","","","1.098","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213925","17.0057","0.0011","12.7153","0.0004","9.1321","0.0003","90","","90","","90","","1974.66","0.16","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H11 N5 O7 -","- C5 H11 N5 O7 -","- C40 H88 N40 O56 -","8","1","","Hursthouse, Michael B.; Montis, Riccardo; Niitsoo, Liisa; Sarson, Jonathan; Threlfall, Terence L.; Asiri, Abdullah Mohamed; Khan, Salman Ahmad; Obaid, Abdullah Yousef; Al-Harbi, Laila Mohammad","Anhydrates and/or hydrates in nitrate, sulphate and phosphate salts of 4-aminopyridine, (4-AP) and 3,4-diaminopyridine (3,4-DAP): the role of the water molecules in the hydrates","CrystEngComm","2014","16","11","2205","","10.1039/c3ce42471e","","","0.71073","MoKα","","0.0301","0.0283","","","0.0747","0.0757","","","","","","1.081","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213926","15.2902","0.001","15.2902","0.001","13.2563","0.0007","90","","90","","90","","3099.2","0.3","120","2","120","2","","","","","","","","5","I 41/a :2","-I 4ad","88","bis(3,4-diaminopyridinium)_sulfate_dihydrate","","","- C10 H20 N6 O6 S -","- C10 H20 N6 O6 S -","- C80 H160 N48 O48 S8 -","8","0.5","","Hursthouse, Michael B.; Montis, Riccardo; Niitsoo, Liisa; Sarson, Jonathan; Threlfall, Terence L.; Asiri, Abdullah Mohamed; Khan, Salman Ahmad; Obaid, Abdullah Yousef; Al-Harbi, Laila Mohammad","Anhydrates and/or hydrates in nitrate, sulphate and phosphate salts of 4-aminopyridine, (4-AP) and 3,4-diaminopyridine (3,4-DAP): the role of the water molecules in the hydrates","CrystEngComm","2014","16","11","2205","","10.1039/c3ce42471e","","","0.71073","MoKα","","0.1177","0.0622","","","0.154","0.1768","","","","","","1.024","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213927","6.9429","0.0003","10.2338","0.0005","14.5568","0.0008","103.319","0.002","100.97","0.003","92.592","0.003","983.78","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","3,4-diaminopyridinium_sulfate_dihydrate","","","- C5 H13 N3 O6 S -","- C5 H13 N3 O6 S -","- C20 H52 N12 O24 S4 -","4","2","","Hursthouse, Michael B.; Montis, Riccardo; Niitsoo, Liisa; Sarson, Jonathan; Threlfall, Terence L.; Asiri, Abdullah Mohamed; Khan, Salman Ahmad; Obaid, Abdullah Yousef; Al-Harbi, Laila Mohammad","Anhydrates and/or hydrates in nitrate, sulphate and phosphate salts of 4-aminopyridine, (4-AP) and 3,4-diaminopyridine (3,4-DAP): the role of the water molecules in the hydrates","CrystEngComm","2014","16","11","2205","","10.1039/c3ce42471e","","","0.71073","MoKα","","0.0981","0.0545","","","0.1187","0.1381","","","","","","1.054","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213928","9.8733","0.0003","13.7275","0.0005","16.1107","0.0005","102.603","0.001","105.275","0.001","106.803","0.002","1911.32","0.11","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 Co2 N8 O10 -","- C36 H40 Co2 N8 O10 -","- C72 H80 Co4 N16 O20 -","2","1","","Dey, Rajdip; Bhattacharya, Biswajit; Pachfule, Pradip; Banerjee, Rahul; Ghoshal, Debajyoti","Flexible dicarboxylate based pillar-layer metal organic frameworks: differences in structure and porosity by tuning the pyridyl based N,N′ linkers","CrystEngComm","2014","16","11","2305","","10.1039/c3ce42028k","","","0.71073","MoKα","","0.0846","0.0446","","","0.0922","0.1049","","","","","","1.015","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213929","14.9099","0.0005","21.0323","0.0007","8.5659","0.0003","90","","94.401","0.002","90","","2678.26","0.16","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H30 Co N4 O9 -","- C19 H30 Co N4 O9 -","- C76 H120 Co4 N16 O36 -","4","1","","Dey, Rajdip; Bhattacharya, Biswajit; Pachfule, Pradip; Banerjee, Rahul; Ghoshal, Debajyoti","Flexible dicarboxylate based pillar-layer metal organic frameworks: differences in structure and porosity by tuning the pyridyl based N,N′ linkers","CrystEngComm","2014","16","11","2305","","10.1039/c3ce42028k","","","0.71073","MoKα","","0.1181","0.0715","","","0.2112","0.2437","","","","","","1.056","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213930","7.941","0.0003","10.7157","0.0004","12.0719","0.0004","93.337","0.002","93.883","0.002","111.134","0.002","952.17","0.06","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N4 O5 Zn -","- C17 H18 N4 O5 Zn -","- C34 H36 N8 O10 Zn2 -","2","1","","Dey, Rajdip; Bhattacharya, Biswajit; Pachfule, Pradip; Banerjee, Rahul; Ghoshal, Debajyoti","Flexible dicarboxylate based pillar-layer metal organic frameworks: differences in structure and porosity by tuning the pyridyl based N,N′ linkers","CrystEngComm","2014","16","11","2305","","10.1039/c3ce42028k","","","0.71073","MoKα","","0.0663","0.049","","","0.1364","0.1483","","","","","","1.043","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213931","5.2008","0.0003","9.1754","0.0004","16.7077","0.0008","96.307","0.003","97.88","0.003","101.052","0.003","767.47","0.07","298","","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H19 N2 O7 Zn -","- C12 H19 N2 O7 Zn -","- C24 H38 N4 O14 Zn2 -","2","1","","Dey, Rajdip; Bhattacharya, Biswajit; Pachfule, Pradip; Banerjee, Rahul; Ghoshal, Debajyoti","Flexible dicarboxylate based pillar-layer metal organic frameworks: differences in structure and porosity by tuning the pyridyl based N,N′ linkers","CrystEngComm","2014","16","11","2305","","10.1039/c3ce42028k","","","0.71073","MoKα","","0.0674","0.0453","","","0.1026","0.1101","","","","","","1.034","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213932","8.6482","0.0002","10.2848","0.0002","12.7911","0.0003","93.53","0.001","108.249","0.001","111.453","0.001","985.46","0.04","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cd N4 O5 -","- C18 H20 Cd N4 O5 -","- C36 H40 Cd2 N8 O10 -","2","1","","Dey, Rajdip; Bhattacharya, Biswajit; Pachfule, Pradip; Banerjee, Rahul; Ghoshal, Debajyoti","Flexible dicarboxylate based pillar-layer metal organic frameworks: differences in structure and porosity by tuning the pyridyl based N,N′ linkers","CrystEngComm","2014","16","11","2305","","10.1039/c3ce42028k","","","0.71073","MoKα","","0.0338","0.0292","","","0.0697","0.0721","","","","","","1.053","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213933","15.8904","0.0003","15.8904","0.0003","29.0281","0.001","90","","90","","90","","7329.7","0.3","298","","298","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C33 H34 Cd2 N10 O10 -","- C33 H34 Cd2 N10 O10 -","- C264 H272 Cd16 N80 O80 -","8","0.5","","Dey, Rajdip; Bhattacharya, Biswajit; Pachfule, Pradip; Banerjee, Rahul; Ghoshal, Debajyoti","Flexible dicarboxylate based pillar-layer metal organic frameworks: differences in structure and porosity by tuning the pyridyl based N,N′ linkers","CrystEngComm","2014","16","11","2305","","10.1039/c3ce42028k","","","0.71073","MoKα","","0.0292","0.0238","","","0.0505","0.0531","","","","","","1.053","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213934","8.87","0.0018","22.049","0.004","15.806","0.003","90","","98.02","0.03","90","","3061","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H11 Dy F18 N4 O6 -","- C21 H11 Dy F18 N4 O6 -","- C84 H44 Dy4 F72 N16 O24 -","4","1","","Wang, Ya-Li; Gu, Bin; Ma, Yue; Xing, Cui; Wang, Qing-Lun; Li, Li-Cun; Cheng, Peng; Liao, Dai-Zheng","A new D2d-symmetry DyIII mononuclear single-molecule magnet containing a monodentate N-heterocyclic donor ligand","CrystEngComm","2014","16","11","2283","","10.1039/c3ce42212g","","","0.71073","MoKα","","0.0872","0.0598","","","0.1149","0.1247","","","","","","1.099","","","","has coordinates,has disorder","180470","2020-10-21","18:00:00",""
"7213935","8.94","0.0018","22.222","0.004","15.95","0.003","90","","97.63","0.03","90","","3140.6","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H11 F18 N4 O6 Tb -","- C21 H11 F18 N4 O6 Tb -","- C84 H44 F72 N16 O24 Tb4 -","4","1","","Wang, Ya-Li; Gu, Bin; Ma, Yue; Xing, Cui; Wang, Qing-Lun; Li, Li-Cun; Cheng, Peng; Liao, Dai-Zheng","A new D2d-symmetry DyIII mononuclear single-molecule magnet containing a monodentate N-heterocyclic donor ligand","CrystEngComm","2014","16","11","2283","","10.1039/c3ce42212g","","","0.71073","MoKα","","0.0695","0.0551","","","0.1338","0.1428","","","","","","1.102","","","","has coordinates,has disorder","180470","2020-10-21","18:00:00",""
"7213936","8.935","0.0018","22.252","0.004","16.011","0.003","90","","97.77","0.03","90","","3154.1","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H11 F18 Ho N4 O6 -","- C21 H11 F18 Ho N4 O6 -","- C84 H44 F72 Ho4 N16 O24 -","4","1","","Wang, Ya-Li; Gu, Bin; Ma, Yue; Xing, Cui; Wang, Qing-Lun; Li, Li-Cun; Cheng, Peng; Liao, Dai-Zheng","A new D2d-symmetry DyIII mononuclear single-molecule magnet containing a monodentate N-heterocyclic donor ligand","CrystEngComm","2014","16","11","2283","","10.1039/c3ce42212g","","","0.71073","MoKα","","0.0826","0.0602","","","0.1381","0.1498","","","","","","1.103","","","","has coordinates,has disorder","180470","2020-10-21","18:00:00",""
"7213937","28.369","0.004","28.369","0.004","14.436","0.003","90","","90","","90","","11618","3","293","2","293","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C80 H66 As8 Cu4 N16 O43 V14 -","- C80 H64 As8 Cu4 N16 O43 V14 -","- C320 H256 As32 Cu16 N64 O172 V56 -","4","0.25","","Guo, Hai-Yang; Li, Zhi-Fang; Zhao, De-Chuan; Hu, Yang-Yang; Xiao, Li-Na; Cui, Xiao-Bing; Guan, Jing-Qi; Xu, Ji-Qing","The synthesis and characterization of three organic‒inorganic hybrids based on different transition metal complexes and {As8V14O42(H2O)} clusters","CrystEngComm","2014","16","11","2251","","10.1039/c3ce42450b","","","0.71073","MoKα","","0.1513","0.0654","","","0.1817","0.2244","","","","","","1.004","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213938","26.4776","0.0012","16.8267","0.0011","27.5248","0.0011","90","","90","","90","","12263.1","1.1","296","2","296","2","","","","","","","","7","A b a 2","A 2 -2ab","41","","","","- C96 H66 As8 Cu4 N16 O43 V14 -","- C96 H64 As8 Cu4 N16 O43 V14 -","- C384 H256 As32 Cu16 N64 O172 V56 -","4","","","Guo, Hai-Yang; Li, Zhi-Fang; Zhao, De-Chuan; Hu, Yang-Yang; Xiao, Li-Na; Cui, Xiao-Bing; Guan, Jing-Qi; Xu, Ji-Qing","The synthesis and characterization of three organic‒inorganic hybrids based on different transition metal complexes and {As8V14O42(H2O)} clusters","CrystEngComm","2014","16","11","2251","","10.1039/c3ce42450b","","","0.71073","MoKα","","0.0894","0.0558","","","0.1337","0.1519","","","","","","0.998","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213939","15.118","0.002","15.118","0.002","38.962","0.008","90","","90","","90","","8905","2","293","2","293","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C36 H50 As8 N24 Ni2 O49 V14 -","- C36 H36 As8 N24 Ni2 O49 V14 -","- C144 H144 As32 N96 Ni8 O196 V56 -","4","0.25","","Guo, Hai-Yang; Li, Zhi-Fang; Zhao, De-Chuan; Hu, Yang-Yang; Xiao, Li-Na; Cui, Xiao-Bing; Guan, Jing-Qi; Xu, Ji-Qing","The synthesis and characterization of three organic‒inorganic hybrids based on different transition metal complexes and {As8V14O42(H2O)} clusters","CrystEngComm","2014","16","11","2251","","10.1039/c3ce42450b","","","0.71073","MoKα","","0.0516","0.0379","","","0.1029","0.1084","","","","","","1.036","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213940","14.9603","0.0011","17.1932","0.0013","27.477","0.002","90","","90","","90","","7067.5","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C74 H62 N8 O22 Zn5 -","- C74 H52 N8 O22 Zn5 -","- C296 H208 N32 O88 Zn20 -","4","0.5","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Syntheses, structures and luminescent properties of seven metal‒organic frameworks constructed with a rigid bis(imidazole) ligand and versatile carboxylate acids","CrystEngComm","2014","16","11","2176","","10.1039/c3ce42339e","","","0.71073","MoKα","","0.0847","0.0406","","","0.0863","0.1031","","","","","","1.004","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213941","28.3903","0.0012","13.8667","0.0006","14.3593","0.0006","90","","107.254","0.001","90","","5398.6","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H26 N4 O6 Zn -","- C29 H22 N4 O6 Zn -","- C232 H176 N32 O48 Zn8 -","8","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Syntheses, structures and luminescent properties of seven metal‒organic frameworks constructed with a rigid bis(imidazole) ligand and versatile carboxylate acids","CrystEngComm","2014","16","11","2176","","10.1039/c3ce42339e","","","0.71073","MoKα","","0.0412","0.034","","","0.0906","0.0946","","","","","","1.027","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213942","9.9705","0.0006","10.7624","0.0007","15.0951","0.0014","104.684","0.001","95.097","0.001","111.948","0.001","1422.59","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H28 Cd N4 O7 -","- C29 H22 Cd N4 O7 -","- C58 H44 Cd2 N8 O14 -","2","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Syntheses, structures and luminescent properties of seven metal‒organic frameworks constructed with a rigid bis(imidazole) ligand and versatile carboxylate acids","CrystEngComm","2014","16","11","2176","","10.1039/c3ce42339e","","","0.71073","MoKα","","0.0524","0.0398","","","0.1002","0.1135","","","","","","1.07","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213943","11.774","0.005","11.812","0.005","14.993","0.005","97.373","0.005","93.976","0.005","114.192","0.005","1869.1","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H42 Cd2 N4 O10 -","- C37 H28 Cd2 N4 O10 -","- C74 H56 Cd4 N8 O20 -","2","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Syntheses, structures and luminescent properties of seven metal‒organic frameworks constructed with a rigid bis(imidazole) ligand and versatile carboxylate acids","CrystEngComm","2014","16","11","2176","","10.1039/c3ce42339e","","","0.71069","MoKα","","0.0542","0.038","","","0.1011","0.1128","","","","","","1.075","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213944","13.977","0.005","17.017","0.005","24.062","0.005","90","0.005","93.727","0.005","90","0.005","5711","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H30 Cd N4 O5 -","- C29 H28 Cd N4 O5 -","- C232 H224 Cd8 N32 O40 -","8","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Syntheses, structures and luminescent properties of seven metal‒organic frameworks constructed with a rigid bis(imidazole) ligand and versatile carboxylate acids","CrystEngComm","2014","16","11","2176","","10.1039/c3ce42339e","","","0.71069","MoKα","","0.0594","0.036","","","0.0884","0.0971","","","","","","1.027","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213945","13.0926","0.0005","20.9762","0.0008","20.0992","0.0008","90","","94.123","0.001","90","","5505.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H44 N8 O13 Zn2 -","- C60 H42 N8 O13 Zn2 -","- C240 H168 N32 O52 Zn8 -","4","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Syntheses, structures and luminescent properties of seven metal‒organic frameworks constructed with a rigid bis(imidazole) ligand and versatile carboxylate acids","CrystEngComm","2014","16","11","2176","","10.1039/c3ce42339e","","","0.71073","MoKα","","0.0839","0.051","","","0.1263","0.1448","","","","","","1.021","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213946","13.698","0.005","16.879","0.005","18.153","0.005","110.202","0.005","91.837","0.005","109.065","0.005","3673","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H66 Cd3 N12 O15 -","- C81 H60 Cd3 N12 O15 -","- C162 H120 Cd6 N24 O30 -","2","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Syntheses, structures and luminescent properties of seven metal‒organic frameworks constructed with a rigid bis(imidazole) ligand and versatile carboxylate acids","CrystEngComm","2014","16","11","2176","","10.1039/c3ce42339e","","","0.71069","MoKα","","0.0542","0.0408","","","0.0942","0.1032","","","","","","1.025","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213947","20.201","0.014","9.992","0.007","21.796","0.015","90","","91.234","0.012","90","","4398","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H42 Co2 N6 O9 -","- C54 H42 Co2 N6 O9 -","- C216 H168 Co8 N24 O36 -","4","0.5","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.0757","0.0472","","","0.1163","0.1359","","","","","","0.997","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213948","20.3079","0.0015","10.1909","0.0008","21.8461","0.0016","90","","91.201","0.002","90","","4520.2","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 Cu N3 O4 -","- C27 H20 Cu N3 O4 -","- C216 H160 Cu8 N24 O32 -","8","1","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.0837","0.0532","","","0.1298","0.1494","","","","","","1","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213949","20.249","0.01","10.011","0.005","22.164","0.012","90","","91.228","0.012","90","","4492","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 N3 Ni O4 -","- C27 H20 N3 Ni O4 -","- C216 H160 N24 Ni8 O32 -","8","1","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.1267","0.0572","","","0.1034","0.1259","","","","","","1.002","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213950","27.381","0.006","11.289","0.002","18.02","0.004","90","","117.075","0.004","90","","4959.6","1.8","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C112 H94 Co4 N12 O27 -","- C112 H94 Co4 N12 O27 -","- C224 H188 Co8 N24 O54 -","2","0.5","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.0893","0.0585","","","0.1293","0.1518","","","","","","0.997","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213951","26.386","0.002","11.3957","0.001","17.5666","0.0019","90","","115.712","0.001","90","","4759.1","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Cu N3 O5 -","- C28 H20 Cu N3 O5 -","- C224 H160 Cu8 N24 O40 -","8","1","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.1123","0.0634","","","0.1649","0.1987","","","","","","0.999","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213952","32.498","0.008","12.812","0.003","18.172","0.005","90","","94.661","0.005","90","","7541","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H35 N5 Ni O7 -","- C39 H35 N5 Ni O7 -","- C312 H280 N40 Ni8 O56 -","8","1","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.135","0.085","","","0.2414","0.2864","","","","","","1.002","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213953","11.6916","0.0006","11.7881","0.0006","12.651","0.0006","82.071","0.001","83.113","0.001","82.638","0.001","1703.38","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H29 Co N5 O4 -","- C39 H29 Co N5 O4 -","- C78 H58 Co2 N10 O8 -","2","1","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.0609","0.0487","","","0.1409","0.1518","","","","","","1.003","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213954","20.768","0.005","10.017","0.003","16.158","0.004","90","","121.098","0.004","90","","2878.3","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Mn N O6 -","- C14 H12 Mn N O6 -","- C112 H96 Mn8 N8 O48 -","8","1","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.0598","0.0538","","","0.185","0.1914","","","","","","0.999","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213955","17.241","0.006","15.95","0.006","16.74","0.006","90","","108.386","0.007","90","","4368","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N3 Ni O7 -","- C22 H20 N3 Ni O7 -","- C176 H160 N24 Ni8 O56 -","8","1","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.1541","0.0673","","","0.1448","0.1829","","","","","","0.997","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213956","16.821","0.0012","19.1858","0.0014","20.6555","0.0015","90","","90","","90","","6666","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H33 Cu N5 O8 -","- C33 H33 Cu N5 O8 -","- C264 H264 Cu8 N40 O64 -","8","1","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.1506","0.0658","","","0.1512","0.1747","","","","","","1.002","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213957","27.504","0.003","14.3017","0.0015","13.3049","0.0016","90","","102.667","0.002","90","","5106.2","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H44 Cd4 N12 O24 -","- C42 H28 Cd4 N12 O24 -","- C168 H112 Cd16 N48 O96 -","4","1","","Li, Jie; Sheng, Tianlu; Bai, Songyan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Huang, Yihui; Xue, Zhenzhen; Wu, Xintao","A series of metal‒organic frameworks containing diverse secondary building units derived from a flexible triazine-based tetracarboxylic ligand","CrystEngComm","2014","16","11","2188","","10.1039/c3ce42045k","","","0.71073","MoKα","","0.0611","0.0547","","","0.1557","0.1647","","","","","","1.113","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213958","8.8692","0.0007","13.3176","0.0014","15.8973","0.0015","103.897","0.004","96.463","0.002","98.338","0.004","1782.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H39 N9 O13 Zn2 -","- C30 H35 N9 O13 Zn2 -","- C60 H70 N18 O26 Zn4 -","2","1","","Li, Jie; Sheng, Tianlu; Bai, Songyan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Huang, Yihui; Xue, Zhenzhen; Wu, Xintao","A series of metal‒organic frameworks containing diverse secondary building units derived from a flexible triazine-based tetracarboxylic ligand","CrystEngComm","2014","16","11","2188","","10.1039/c3ce42045k","","","0.71073","MoKα","","0.0608","0.0467","","","0.1244","0.1317","","","","","","1.056","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213959","16.915","0.005","9.686","0.003","17.4","0.005","90","","106.905","0.004","90","","2727.6","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N7 O12 Zn2.5 -","- C24 H14 N7 O12 Zn2.5 -","- C96 H56 N28 O48 Zn10 -","4","1","","Li, Jie; Sheng, Tianlu; Bai, Songyan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Huang, Yihui; Xue, Zhenzhen; Wu, Xintao","A series of metal‒organic frameworks containing diverse secondary building units derived from a flexible triazine-based tetracarboxylic ligand","CrystEngComm","2014","16","11","2188","","10.1039/c3ce42045k","","","0.71073","MoKα","","0.0876","0.0797","","","0.2083","0.2169","","","","","","1.049","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213960","29.542","0.008","7.3171","0.0018","35.757","0.01","90","","98.761","0.005","90","","7639","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H44 N8 O16 Zn2 -","- C31 H32 N8 O16 Zn2 -","- C248 H256 N64 O128 Zn16 -","8","1","","Li, Jie; Sheng, Tianlu; Bai, Songyan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Huang, Yihui; Xue, Zhenzhen; Wu, Xintao","A series of metal‒organic frameworks containing diverse secondary building units derived from a flexible triazine-based tetracarboxylic ligand","CrystEngComm","2014","16","11","2188","","10.1039/c3ce42045k","","","0.71073","MoKα","","0.0535","0.0479","","","0.1352","0.1411","","","","","","1.052","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213961","16.804","0.002","16.228","0.002","26.461","0.004","90","","103.17","0.002","90","","7026","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Cd4 N16 O28 -","- C54.002 H56 Cd4 N16 O28 -","- C216.008 H224 Cd16 N64 O112 -","4","1","","Li, Jie; Sheng, Tianlu; Bai, Songyan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Huang, Yihui; Xue, Zhenzhen; Wu, Xintao","A series of metal‒organic frameworks containing diverse secondary building units derived from a flexible triazine-based tetracarboxylic ligand","CrystEngComm","2014","16","11","2188","","10.1039/c3ce42045k","","","0.71073","MoKα","","0.0665","0.0523","","","0.1373","0.1523","","","","","","1.08","","","","has coordinates,has disorder","180470","2020-10-21","18:00:00",""
"7213962","9.7346","0.0019","9.761","0.002","12.173","0.002","103.67","0.03","102.74","0.03","107.87","0.03","1014.6","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 Ag N2 O4 -","- C24 H19 Ag N2 O4 -","- C48 H38 Ag2 N4 O8 -","2","1","","Li, Ni-Ya; Ge, Yu; Wang, Tao; Wang, Shu-Jun; Ji, Xue-Ying; Liu, Dong","Construction of a series of coordination polymers based on 1,4-naphthalenedicarboxylic and flexible dipyridyl ligands","CrystEngComm","2014","16","11","2168","","10.1039/c3ce42148a","","","0.71073","MoKα","","0.0413","0.0337","","","0.0688","0.0711","","","","","","1.114","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213963","11.812","0.002","9.6182","0.0019","19.06","0.004","90","","103.55","0.03","90","","2105.1","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 Ag N2 O4 -","- C25 H21 Ag N2 O4 -","- C100 H84 Ag4 N8 O16 -","4","1","","Li, Ni-Ya; Ge, Yu; Wang, Tao; Wang, Shu-Jun; Ji, Xue-Ying; Liu, Dong","Construction of a series of coordination polymers based on 1,4-naphthalenedicarboxylic and flexible dipyridyl ligands","CrystEngComm","2014","16","11","2168","","10.1039/c3ce42148a","","","0.71073","MoKα","","0.0406","0.0327","","","0.0833","0.089","","","","","","1.017","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213964","15.72","0.003","16.12","0.003","13.476","0.003","90","","116.42","0.03","90","","3058.2","1.3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Cd N O4 -","- C18 H12 Cd N O4 -","- C144 H96 Cd8 N8 O32 -","8","1","","Li, Ni-Ya; Ge, Yu; Wang, Tao; Wang, Shu-Jun; Ji, Xue-Ying; Liu, Dong","Construction of a series of coordination polymers based on 1,4-naphthalenedicarboxylic and flexible dipyridyl ligands","CrystEngComm","2014","16","11","2168","","10.1039/c3ce42148a","","","0.71073","MoKα","","0.0259","0.0249","","","0.0622","0.0628","","","","","","1.192","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213965","16.616","0.003","15.383","0.003","14.774","0.003","90","","120.63","0.03","90","","3249.4","1.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H26 Cd2 N2 O8 -","- C37 H26 Cd2 N2 O8 -","- C148 H104 Cd8 N8 O32 -","4","0.5","","Li, Ni-Ya; Ge, Yu; Wang, Tao; Wang, Shu-Jun; Ji, Xue-Ying; Liu, Dong","Construction of a series of coordination polymers based on 1,4-naphthalenedicarboxylic and flexible dipyridyl ligands","CrystEngComm","2014","16","11","2168","","10.1039/c3ce42148a","","","0.71073","MoKα","","0.0344","0.0277","","","0.056","0.058","","","","","","1.135","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213966","18.884","0.004","16.206","0.003","10.375","0.002","90","","90","","90","","3175.1","1.1","298","2","298","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C18 H12 N O4 Zn -","- C18 H12 N O4 Zn -","- C144 H96 N8 O32 Zn8 -","8","","","Li, Ni-Ya; Ge, Yu; Wang, Tao; Wang, Shu-Jun; Ji, Xue-Ying; Liu, Dong","Construction of a series of coordination polymers based on 1,4-naphthalenedicarboxylic and flexible dipyridyl ligands","CrystEngComm","2014","16","11","2168","","10.1039/c3ce42148a","","","0.71073","MoKα","","0.0754","0.0716","","","0.1798","0.184","","","","","","1.067","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7213967","16.466","0.003","15.188","0.003","25.146","0.005","90","","90","","90","","6289","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H28 Co2 N2 O9 -","- C37 H28 Co2 N2 O9 -","- C296 H224 Co16 N16 O72 -","8","1","","Li, Ni-Ya; Ge, Yu; Wang, Tao; Wang, Shu-Jun; Ji, Xue-Ying; Liu, Dong","Construction of a series of coordination polymers based on 1,4-naphthalenedicarboxylic and flexible dipyridyl ligands","CrystEngComm","2014","16","11","2168","","10.1039/c3ce42148a","","","0.71073","MoKα","","0.0363","0.0308","","","0.0762","0.0799","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213968","14.07","0.003","22.001","0.004","20.966","0.004","90","","101.07","0.03","90","","6369","2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H56 Cd3 N8 O20 S3 -","- C48 H56 Cd3 N8 O20 S3 -","- C192 H224 Cd12 N32 O80 S12 -","4","1","","Li, Duan-Xiu; Ni, Chun-Yan; Chen, Min-Min; Dai, Ming; Zhang, Wen-Hua; Yan, Wen-Yan; Qi, Hai-Xiao; Ren, Zhi-Gang; Lang, Jian-Ping","Construction of Cd(ii) coordination polymers used as catalysts for the photodegradation of organic dyes in polluted water","CrystEngComm","2014","16","11","2158","","10.1039/c3ce42360c","","","0.71073","MoKα","","0.0558","0.0486","","","0.1161","0.1202","","","","","","1.108","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213969","15.6677","0.0005","15.6677","0.0005","15.6677","0.0005","90","","90","","90","","3846.1","0.2","153","2","153","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C18 H15 Cd N4 O6 -","- C18 H15 Cd N4 O6 -","- C144 H120 Cd8 N32 O48 -","8","0.166667","","Li, Duan-Xiu; Ni, Chun-Yan; Chen, Min-Min; Dai, Ming; Zhang, Wen-Hua; Yan, Wen-Yan; Qi, Hai-Xiao; Ren, Zhi-Gang; Lang, Jian-Ping","Construction of Cd(ii) coordination polymers used as catalysts for the photodegradation of organic dyes in polluted water","CrystEngComm","2014","16","11","2158","","10.1039/c3ce42360c","","","0.71073","MoKα","","0.0702","0.0586","","","0.1264","0.1321","","","","","","1.094","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213970","17.9901","0.0015","13.5567","0.0012","15.6762","0.0016","90","","91.684","0.009","90","","3821.6","0.6","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H46 Cd2 N4 O19 S2 -","- C26 H46 Cd2 N4 O19 S2 -","- C104 H184 Cd8 N16 O76 S8 -","4","1","","Li, Duan-Xiu; Ni, Chun-Yan; Chen, Min-Min; Dai, Ming; Zhang, Wen-Hua; Yan, Wen-Yan; Qi, Hai-Xiao; Ren, Zhi-Gang; Lang, Jian-Ping","Construction of Cd(ii) coordination polymers used as catalysts for the photodegradation of organic dyes in polluted water","CrystEngComm","2014","16","11","2158","","10.1039/c3ce42360c","","","0.71073","MoKα","","0.1405","0.0993","","","0.2354","0.261","","","","","","0.997","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213971","25.3104","0.0009","13.9294","0.0005","19.6913","0.0007","90","","128.818","0.001","90","","5409.1","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Cd N6 O8 -","- C24 H24 Cd N6 O8 -","- C192 H192 Cd8 N48 O64 -","8","1","","Li, Duan-Xiu; Ni, Chun-Yan; Chen, Min-Min; Dai, Ming; Zhang, Wen-Hua; Yan, Wen-Yan; Qi, Hai-Xiao; Ren, Zhi-Gang; Lang, Jian-Ping","Construction of Cd(ii) coordination polymers used as catalysts for the photodegradation of organic dyes in polluted water","CrystEngComm","2014","16","11","2158","","10.1039/c3ce42360c","","","0.71073","MoKα","","0.0406","0.032","","","0.0714","0.075","","","","","","1.059","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213972","11.4349","0.0006","15.545","0.0006","12.8179","0.0006","90","","113.755","0.006","90","","2085.41","0.19","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.71073","MoKα","","0.0797","0.0571","","","0.1517","0.1693","","","","","","1.054","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213973","11.262","0.006","14.9356","0.0012","12.497","0.004","90","","113.73","0.06","90","","1924.3","1.5","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.1415","0.0989","","","0.2333","0.2625","","","","","","1.555","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213974","11.096","0.002","14.494","0.003","12.262","0.003","90","","113.85","0.03","90","","1803.6","0.8","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.1037","0.0775","","","0.1535","0.1713","","","","","","1.536","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213975","11.053","0.002","14.338","0.003","12.136","0.002","90","","113.76","0.03","90","","1760.3","0.7","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.1241","0.077","","","0.1592","0.1864","","","","","","1.49","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213976","10.991","0.006","14.1391","0.0008","12.033","0.004","90","","113.83","0.05","90","","1710.5","1.3","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0974","0.0758","","","0.1681","","","","","","","1.422","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213977","10.954","0.002","14.032","0.003","11.962","0.002","90","","113.77","0.03","90","","1682.7","0.7","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0753","0.0674","","","0.163","0.1687","","","","","","1.488","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213978","10.93","0.002","13.961","0.003","11.922","0.002","90","","113.76","0.03","90","","1665","0.7","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0797","0.0687","","","0.1658","0.173","","","","","","1.434","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213979","10.135","0.009","15.0384","0.0016","10.9","0.007","90","","107.52","0.09","90","","1584.2","1.9","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0794","0.0561","","","0.1083","0.1193","","","","","","1.411","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213980","10.118","0.018","15.012","0.003","10.877","0.011","90","","107.53","0.16","90","","1575","4","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0724","0.0545","","","0.1129","0.1223","","","","","","1.456","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213981","10.117","0.018","15.004","0.003","10.869","0.011","90","","107.52","0.16","90","","1573","4","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.071","0.0548","","","0.1277","0.1354","","","","","","1.53","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213982","10.052","0.002","14.932","0.003","10.789","0.002","90","","107.39","0.03","90","","1545.4","0.6","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.071","0.0504","","","0.1042","0.117","","","","","","1.261","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213983","9.985","0.002","14.855","0.003","10.722","0.002","90","","107.35","0.03","90","","1518","0.6","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.1027","0.078","","","0.1827","0.208","","","","","","1.131","","","","has coordinates","301864","2025-08-22","15:14:32",""
"7213984","9.894","0.002","14.736","0.003","10.588","0.002","90","","107.21","0.03","90","","1474.6","0.6","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0557","0.0436","","","0.0962","0.1031","","","","","","1.29","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7213985","20.5687","0.001","8.8331","0.0002","11.4381","0.0005","90","","122.177","0.006","90","","1758.95","0.17","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C68 H56 F24 S8 -","4","0.5","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.71073","MoKα","","0.0577","0.041","","","0.1143","0.1293","","","","","","0.963","","","","has coordinates,has disorder","211415","2020-10-21","18:00:00",""
"7213986","19.69","0.06","8.8311","0.0018","11.46","0.003","90","","116.72","0.05","90","","1780","6","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C68 H56 F24 S8 -","4","0.5","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.1296","0.0895","","","0.216","0.2454","","","","","","1.096","","","","has coordinates,has disorder","211415","2020-10-21","18:00:00",""
"7213987","19.672","0.029","8.6717","0.0008","11.0787","0.0009","90","","120.594","0.013","90","","1627","2","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C68 H56 F24 S8 -","4","0.5","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0963","0.0766","","","0.1825","0.1996","","","","","","1.104","","","","has coordinates,has disorder","211415","2020-10-21","18:00:00",""
"7213988","19.3247","0.0061","8.6243","0.0006","10.9544","0.0007","90","","120.113","0.014","90","","1579.3","0.6","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C68 H56 F24 S8 -","4","0.5","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0883","0.0728","","","0.1772","0.1906","","","","","","1.043","","","","has coordinates,has disorder","211415","2020-10-21","18:00:00",""
"7213989","18.4265","0.0046","8.4721","0.0006","10.633","0.0007","90","","118.512","0.015","90","","1458.6","0.4","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C68 H56 F24 S8 -","4","0.5","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0832","0.0713","","","0.1441","0.1505","","","","","","1.053","","","","has coordinates,has disorder","211415","2020-10-21","18:00:00",""
"7213990","18.0508","0.0011","8.3848","0.0008","10.551","0.023","90","","118.132","0.023","90","","1408","3","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C68 H56 F24 S8 -","4","0.5","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.1193","0.0982","","","0.2321","0.2507","","","","","","1.089","","","","has coordinates,has disorder","211415","2020-10-21","18:00:00",""
"7213991","17.874","0.008","8.336","0.0007","10.524","0.013","90","","117.9","0.2","90","","1386","3","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C68 H56 F24 S8 -","4","0.5","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.1031","0.0934","","","0.1927","0.1994","","","","","","1.081","","","","has coordinates,has disorder","211415","2020-10-21","18:00:00",""
"7213992","10.506","0.002","16.364","0.003","15.514","0.003","90","","98.95","0.03","90","","2634.7","0.9","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C136 H112 F48 S16 -","8","2","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0922","0.0712","","","0.1779","0.2025","","","","","","1.055","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7213993","10.4886","0.001","16.3135","0.0016","15.5602","0.0096","90","","99.0816","0.0016","90","","2629.1","1.7","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C136 H112 F48 S16 -","8","2","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.085","0.0689","","","0.1714","0.1851","","","","","","1.051","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7213994","10.4663","0.0008","16.259","0.0012","15.427","0.0072","90","","99.409","0.012","90","","2589.9","1.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C136 H112 F48 S16 -","8","2","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0718","0.0615","","","0.165","0.1752","","","","","","1.068","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7213995","10.4211","0.0007","16.1206","0.0012","15.169","0.0068","90","","99.83","0.011","90","","2510.9","1.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C136 H112 F48 S16 -","8","2","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0795","0.0613","","","0.1546","0.1699","","","","","","1.065","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7213996","10.377","0.002","16.06","0.003","15.031","0.003","90","","100.45","0.03","90","","2463.4","0.9","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C136 H112 F48 S16 -","8","2","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.1158","0.0824","","","0.1875","0.2172","","","","","","1.437","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7213997","10.3834","0.0005","16.0279","0.0008","15.0219","0.0045","90","","100.443","0.007","90","","2458.6","0.8","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C136 H112 F48 S16 -","8","2","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0718","0.0525","","","0.1281","0.1458","","","","","","1.017","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7213998","48.2903","0.0015","13.6014","0.0003","22.1554","0.0005","90","","100.647","0.003","90","","14301.5","0.6","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C20 H145 Cu N20 Na2 O148 P4 Tb W34 -","- C12 H52 Cu N12 Na2 O136 P4 Tb W34 -","- C48 H208 Cu4 N48 Na8 O544 P16 Tb4 W136 -","4","0.5","","Zhao, Hai-Yan; Zhao, Jun-Wei; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","A series of organic‒inorganic hybrids based on lanthanide-substituted Dawson-type phosphotungstate dimers and copper‒en linkers","CrystEngComm","2014","16","11","2230","","10.1039/c3ce42029a","","","0.71073","MoKα","","0.0581","0.047","","","0.119","0.1234","","","","","","1.043","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213999","48.3988","0.0017","13.6295","0.0004","22.1644","0.0006","90","","100.66","0.003","90","","14368.5","0.8","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C20 H149 Cu Eu N20 Na2 O150 P4 W34 -","- C12 H56 Cu Eu N12 Na2 O144 P4 W34 -","- C48 H224 Cu4 Eu4 N48 Na8 O576 P16 W136 -","4","0.5","","Zhao, Hai-Yan; Zhao, Jun-Wei; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","A series of organic‒inorganic hybrids based on lanthanide-substituted Dawson-type phosphotungstate dimers and copper‒en linkers","CrystEngComm","2014","16","11","2230","","10.1039/c3ce42029a","","","0.71073","MoKα","","0.0545","0.0367","","","0.0795","0.0848","","","","","","1.075","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7214000","48.4356","0.0012","13.5979","0.0003","22.1157","0.0005","90","","100.54","0.002","90","","14320.1","0.6","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C24 H157 Cu N24 Na2 O146 P4 Sm W34 -","- C12 H56 Cu N12 Na2 O146 P4 Sm W34 -","- C48 H224 Cu4 N48 Na8 O584 P16 Sm4 W136 -","4","0.5","","Zhao, Hai-Yan; Zhao, Jun-Wei; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","A series of organic‒inorganic hybrids based on lanthanide-substituted Dawson-type phosphotungstate dimers and copper‒en linkers","CrystEngComm","2014","16","11","2230","","10.1039/c3ce42029a","","","0.71073","MoKα","","0.0601","0.0424","","","0.1034","0.1127","","","","","","1.056","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214001","48.5506","0.0011","13.6364","0.0005","22.1072","0.0005","90","","100.436","0.002","90","","14394.1","0.7","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C18 H127 Ce Cu N18 Na2 O143 P4 W34 -","- C12 H52 Ce Cu N12 Na2 O142 P4 W34 -","- C48 H208 Ce4 Cu4 N48 Na8 O568 P16 W136 -","4","0.5","","Zhao, Hai-Yan; Zhao, Jun-Wei; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","A series of organic‒inorganic hybrids based on lanthanide-substituted Dawson-type phosphotungstate dimers and copper‒en linkers","CrystEngComm","2014","16","11","2230","","10.1039/c3ce42029a","","","0.71073","MoKα","","0.0934","0.0746","","","0.182","0.1974","","","","","","1.012","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214002","9.1367","0.0002","9.1367","0.0002","25.9692","0.001","90","","90","","120","","1877.45","0.09","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C0 H2 In N0 O6 P2 -","- H2 In O6 P2 -","- H18 In9 O54 P18 -","9","0.5","","Wang, Xuelei; Yan, Yan; Wu, Junbiao; Zhang, Chuanqi; Li, Jiyang","Solvothermal syntheses and structures of four indium‒phosphite coordination polymers","CrystEngComm","2014","16","11","2266","","10.1039/c3ce42059k","","","0.71073","MoKα","","0.0176","0.0159","","","0.0385","0.0388","","","","","","1.006","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214003","5.4121","0.001","10.234","0.0018","10.5108","0.0019","113.234","0.002","95.522","0.003","92.534","0.002","530.32","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C3 H14 F In N2 O6 P2 -","- C3 H14 F In N2 O6 P2 -","- C6 H28 F2 In2 N4 O12 P4 -","2","1","","Wang, Xuelei; Yan, Yan; Wu, Junbiao; Zhang, Chuanqi; Li, Jiyang","Solvothermal syntheses and structures of four indium‒phosphite coordination polymers","CrystEngComm","2014","16","11","2266","","10.1039/c3ce42059k","","","0.71073","MoKα","","0.0285","0.0247","","","0.0562","0.0592","","","","","","1.087","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214004","8.2519","0.0003","8.2519","0.0003","7.6934","0.0004","90","","90","","120","","453.69","0.03","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- H3 In2 O9 P3 -","- H3 In2 O9 P3 -","- H6 In4 O18 P6 -","2","0.166667","","Wang, Xuelei; Yan, Yan; Wu, Junbiao; Zhang, Chuanqi; Li, Jiyang","Solvothermal syntheses and structures of four indium‒phosphite coordination polymers","CrystEngComm","2014","16","11","2266","","10.1039/c3ce42059k","","","0.71073","MoKα","","0.018","0.0175","","","0.0433","0.0437","","","","","","1.233","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214005","13.8148","0.0018","13.8148","0.0018","18.612","0.005","90","","90","","120","","3076.2","1","296","2","296","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C0 H7 In4 N0 O24 P7 -","- H7 In4 O24 P7 -","- H28 In16 O96 P28 -","4","0.333333","","Wang, Xuelei; Yan, Yan; Wu, Junbiao; Zhang, Chuanqi; Li, Jiyang","Solvothermal syntheses and structures of four indium‒phosphite coordination polymers","CrystEngComm","2014","16","11","2266","","10.1039/c3ce42059k","","","0.71073","MoKα","","0.0555","0.0434","","","0.1198","0.1247","","","","","","1.082","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214006","6.8098","0.0014","31.143","0.006","13.07","0.004","90","","120.24","0.02","90","","2394.7","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 La2 N O19 -","- C18 H18 La2 N O19 -","- C72 H72 La8 N4 O76 -","4","1","","Sun, Ya-guang; Li, Jian; Li, Ke-long; Xu, Zhen-he; Ding, Fu; Ren, Bao-yi; Wang, Shu-ju; You, Li-xin; Xiong, Gang; Smet, Philippe F.","A family of 3D lanthanide‒organic frameworks constructed from parallelogram secondary building units: synthesis, structures and properties","CrystEngComm","2014","16","9","1777","","10.1039/c3ce42197j","","","0.71073","MoKα","","0.1349","0.1078","","","0.2664","0.2906","","","","","","1.082","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214007","6.7147","0.0013","30.942","0.006","12.909","0.004","90","","120.14","0.02","90","","2319.4","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N O19 Pr2 -","- C18 H18 N O19 Pr2 -","- C72 H72 N4 O76 Pr8 -","4","1","","Sun, Ya-guang; Li, Jian; Li, Ke-long; Xu, Zhen-he; Ding, Fu; Ren, Bao-yi; Wang, Shu-ju; You, Li-xin; Xiong, Gang; Smet, Philippe F.","A family of 3D lanthanide‒organic frameworks constructed from parallelogram secondary building units: synthesis, structures and properties","CrystEngComm","2014","16","9","1777","","10.1039/c3ce42197j","","","0.71073","MoKα","","0.0465","0.0405","","","0.0909","0.0942","","","","","","1.105","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214008","6.7129","0.0013","30.855","0.006","12.888","0.004","90","","120.73","0.02","90","","2294.6","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N O19 Sm2 -","- C18 H18 N O19 Sm2 -","- C72 H72 N4 O76 Sm8 -","4","1","","Sun, Ya-guang; Li, Jian; Li, Ke-long; Xu, Zhen-he; Ding, Fu; Ren, Bao-yi; Wang, Shu-ju; You, Li-xin; Xiong, Gang; Smet, Philippe F.","A family of 3D lanthanide‒organic frameworks constructed from parallelogram secondary building units: synthesis, structures and properties","CrystEngComm","2014","16","9","1777","","10.1039/c3ce42197j","","","0.71073","MoKα","","0.0637","0.0588","","","0.1381","0.1404","","","","","","1.183","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214009","6.674","0.0013","30.729","0.006","12.805","0.004","90","0.03","120.67","0.02","90","0.03","2258.8","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Eu2 N O19 -","- C18 H18 Eu2 N O19 -","- C72 H72 Eu8 N4 O76 -","4","1","","Sun, Ya-guang; Li, Jian; Li, Ke-long; Xu, Zhen-he; Ding, Fu; Ren, Bao-yi; Wang, Shu-ju; You, Li-xin; Xiong, Gang; Smet, Philippe F.","A family of 3D lanthanide‒organic frameworks constructed from parallelogram secondary building units: synthesis, structures and properties","CrystEngComm","2014","16","9","1777","","10.1039/c3ce42197j","","","0.71073","MoKα","","0.0309","0.028","","","0.0659","0.0672","","","","","","1.121","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214010","6.675","0.0013","30.726","0.006","12.841","0.004","90","","120.81","0.02","90","","2262","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Gd2 N O19 -","- C18 H18 Gd2 N O19 -","- C72 H72 Gd8 N4 O76 -","4","1","","Sun, Ya-guang; Li, Jian; Li, Ke-long; Xu, Zhen-he; Ding, Fu; Ren, Bao-yi; Wang, Shu-ju; You, Li-xin; Xiong, Gang; Smet, Philippe F.","A family of 3D lanthanide‒organic frameworks constructed from parallelogram secondary building units: synthesis, structures and properties","CrystEngComm","2014","16","9","1777","","10.1039/c3ce42197j","","","0.71073","MoKα","","0.0648","0.0605","","","0.1432","0.145","","","","","","1.179","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214011","6.666","0.0013","30.662","0.006","12.798","0.004","90","","120.79","0.02","90","","2247.1","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N O19 Tb2 -","- C18 H18 N O19 Tb2 -","- C72 H72 N4 O76 Tb8 -","4","1","","Sun, Ya-guang; Li, Jian; Li, Ke-long; Xu, Zhen-he; Ding, Fu; Ren, Bao-yi; Wang, Shu-ju; You, Li-xin; Xiong, Gang; Smet, Philippe F.","A family of 3D lanthanide‒organic frameworks constructed from parallelogram secondary building units: synthesis, structures and properties","CrystEngComm","2014","16","9","1777","","10.1039/c3ce42197j","","","0.71073","MoKα","","0.0825","0.0565","","","0.1149","0.1277","","","","","","1.105","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214012","6.661","0.0013","30.58","0.006","12.763","0.003","90","","121","0.02","90","","2228.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Dy2 N O19 -","- C18 H18 Dy2 N O19 -","- C72 H72 Dy8 N4 O76 -","4","1","","Sun, Ya-guang; Li, Jian; Li, Ke-long; Xu, Zhen-he; Ding, Fu; Ren, Bao-yi; Wang, Shu-ju; You, Li-xin; Xiong, Gang; Smet, Philippe F.","A family of 3D lanthanide‒organic frameworks constructed from parallelogram secondary building units: synthesis, structures and properties","CrystEngComm","2014","16","9","1777","","10.1039/c3ce42197j","","","0.71073","MoKα","","0.0668","0.0522","","","0.13","0.1408","","","","","","1.1","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214013","18.615","0.002","6.0317","0.0007","29.072","0.004","90","","105.908","0.002","90","","3139.2","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Cl N O2 -","- C18 H16 Cl N O2 -","- C144 H128 Cl8 N8 O16 -","8","1","","Tanaka, Yuki; Tabata, Hideyuki; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Control of crystal structures of fluorescent two-component supramolecular systems by varying substituents and their positions","CrystEngComm","2014","16","9","1741","","10.1039/c3ce42128g","","","0.71073","MoKα","","0.0796","0.0482","","","0.1049","0.1165","","","","","","1.017","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214014","10.5204","0.0007","8.7184","0.0006","33.531","0.002","90","","90","","90","","3075.5","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Cl N O2 -","- C18 H16 Cl N O2 -","- C144 H128 Cl8 N8 O16 -","8","1","","Tanaka, Yuki; Tabata, Hideyuki; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Control of crystal structures of fluorescent two-component supramolecular systems by varying substituents and their positions","CrystEngComm","2014","16","9","1741","","10.1039/c3ce42128g","","","0.71073","MoKα","","0.0656","0.0509","","","0.1385","0.1495","","","","","","1.018","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214015","4.637","0.0018","11.658","0.004","15.392","0.005","67.925","0.012","82.161","0.015","85.996","0.018","763.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Br N O2 -","- C18 H16 Br N O2 -","- C36 H32 Br2 N2 O4 -","2","1","","Tanaka, Yuki; Tabata, Hideyuki; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Control of crystal structures of fluorescent two-component supramolecular systems by varying substituents and their positions","CrystEngComm","2014","16","9","1741","","10.1039/c3ce42128g","","","0.71073","MoKα","","0.0757","0.0645","","","0.1611","0.1759","","","","","","1.12","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214016","10.6279","0.0009","8.7139","0.0007","33.989","0.003","90","","90","","90","","3147.7","0.5","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Br N O2 -","- C18 H16 Br N O2 -","- C144 H128 Br8 N8 O16 -","8","1","","Tanaka, Yuki; Tabata, Hideyuki; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Control of crystal structures of fluorescent two-component supramolecular systems by varying substituents and their positions","CrystEngComm","2014","16","9","1741","","10.1039/c3ce42128g","","","0.71073","MoKα","","0.0913","0.0524","","","0.112","0.1274","","","","","","1.052","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214017","18.404","0.005","6.025","0.0015","28.832","0.008","90","","104.628","0.003","90","","3093.4","1.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C152 H152 N8 O16 -","8","1","","Tanaka, Yuki; Tabata, Hideyuki; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Control of crystal structures of fluorescent two-component supramolecular systems by varying substituents and their positions","CrystEngComm","2014","16","9","1741","","10.1039/c3ce42128g","","","0.71073","MoKα","","0.1177","0.0537","","","0.1202","0.1497","","","","","","0.944","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214018","15.604","0.004","6.263","0.0014","15.601","0.004","90","","90.68","0.003","90","","1524.5","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Tanaka, Yuki; Tabata, Hideyuki; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Control of crystal structures of fluorescent two-component supramolecular systems by varying substituents and their positions","CrystEngComm","2014","16","9","1741","","10.1039/c3ce42128g","","","0.71073","MoKα","","0.0526","0.0433","","","0.1152","0.1234","","","","","","1.058","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214019","4.9227","0.0002","13.9837","0.0003","15.7876","0.0003","90","","90","","90","","1086.78","0.05","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H10 Li2 O10 -","- C8 H10 Li2 O10 -","- C32 H40 Li8 O40 -","4","1","","Thuéry, Pierre","Metal‒organic frameworks built from alkali metal ions (Li±-Cs+) and 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2014","16","9","1724","","10.1039/c3ce41565a","","","0.71073","MoKα","","0.0329","0.0308","","","0.0881","0.0895","","","","","","1.075","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214020","21.6635","0.0016","8.1817","0.0004","8.1299","0.0006","90","","98.514","0.004","90","","1425.1","0.16","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H16 Li4 O13 -","- C8 H16 Li4 O13 -","- C32 H64 Li16 O52 -","4","0.5","","Thuéry, Pierre","Metal‒organic frameworks built from alkali metal ions (Li±-Cs+) and 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2014","16","9","1724","","10.1039/c3ce41565a","","","0.71073","MoKα","","0.0391","0.0327","","","0.0919","0.095","","","","","","1.079","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214021","5.3722","0.0002","13.4257","0.0011","12.451","0.001","90","","91.272","0.005","90","","897.81","0.11","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H7 Na O8 -","- C8 H7 Na O8 -","- C32 H28 Na4 O32 -","4","1","","Thuéry, Pierre","Metal‒organic frameworks built from alkali metal ions (Li±-Cs+) and 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2014","16","9","1724","","10.1039/c3ce41565a","","","0.71073","MoKα","","0.0517","0.0369","","","0.0976","0.1032","","","","","","1.039","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214022","8.4001","0.0007","13.7383","0.0011","6.4302","0.0004","90","","104.284","0.005","90","","719.12","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 K2 O12 -","- C8 H14 K2 O12 -","- C16 H28 K4 O24 -","2","0.5","","Thuéry, Pierre","Metal‒organic frameworks built from alkali metal ions (Li±-Cs+) and 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2014","16","9","1724","","10.1039/c3ce41565a","","","0.71073","MoKα","","0.0355","0.0283","","","0.07","0.0725","","","","","","1.065","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214023","8.6068","0.0002","5.5968","0.0002","10.716","0.0003","90","","92.205","0.002","90","","515.81","0.03","150","2","150","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C8 H7 K O8 -","- C8 H7 K O8 -","- C16 H14 K2 O16 -","2","0.5","","Thuéry, Pierre","Metal–organic frameworks built from alkali metal ions (Li±-Cs+) and 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2014","16","9","1724","","10.1039/c3ce41565a","","","0.71073","MoKα","","0.0351","0.0329","","","0.0915","0.0923","","","","","","1.077","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214024","8.1309","0.0004","9.662","0.0005","12.7399","0.0005","90","","90","","90","","1000.86","0.08","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C8 H7 O8 Rb -","- C8 H7 O8 Rb -","- C32 H28 O32 Rb4 -","4","0.5","","Thuéry, Pierre","Metal–organic frameworks built from alkali metal ions (Li±-Cs+) and 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2014","16","9","1724","","10.1039/c3ce41565a","","","0.71073","MoKα","","0.0277","0.0232","","","0.0654","0.0673","","","","","","1.072","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214025","9.8276","0.0003","9.8276","0.0003","10.2207","0.0005","90","","90","","90","","987.13","0.06","150","2","150","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C8 H7 Cs O8 -","- C8 H4 Cs O8 -","- C32 H16 Cs4 O32 -","4","0.5","","Thuéry, Pierre","Metal‒organic frameworks built from alkali metal ions (Li±-Cs+) and 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2014","16","9","1724","","10.1039/c3ce41565a","","","0.71073","MoKα","","0.0261","0.0231","","","0.0605","0.0613","","","","","","1.155","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214026","6.2442","0.0005","13.1523","0.0012","8.5929","0.0005","90","","96.82","0.006","90","","700.7","0.09","120","2","120","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C2 H5 N3 O3 P S -","- C2 H5 N3 O3 P S -","- C8 H20 N12 O12 P4 S4 -","4","1","","Matulková, I.; Cihelka, J.; Pojarová, M.; Fejfarová, K.; Dušek, M.; Císařová, I.; Vaněk, P.; Kroupa, J.; Němec, P.; Tesařová, N.; Němec, I.","Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids ‒ crystal engineering, phase transformations and NLO properties","CrystEngComm","2014","16","9","1763","","10.1039/c3ce42306a","","","1.5418","CuKα","","0.0834","0.0769","","0.0679","0.0662","0.0662","","","","","","1.1054","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214027","5.2","0.00007","10.2243","0.00015","13.06242","0.00017","90","","90","","90","","694.481","0.017","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2-amino-1,3,4-thiadiazolium(1+) hydrogen sulphate","","","- C2 H5 N3 O4 S2 -","- C2 H5 N3 O4 S2 -","- C8 H20 N12 O16 S8 -","4","1","","Matulková, I.; Cihelka, J.; Pojarová, M.; Fejfarová, K.; Dušek, M.; Císařová, I.; Vaněk, P.; Kroupa, J.; Němec, P.; Tesařová, N.; Němec, I.","Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids – crystal engineering, phase transformations and NLO properties","CrystEngComm","2014","16","9","1763","","10.1039/c3ce42306a","","","1.54178","CuKα","","0.0202","0.0202","","","0.0503","0.0503","","","","","","0.879","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214028","4.4119","0.0001","21.9024","0.0005","7.519","0.0002","90","","94.531","0.002","90","","724.3","0.03","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","2-amino-1,3,4-thiadiazolium(1+) dihydrogen phosphate","","","- C2 H6 N3 O4 P S -","- C2 H6 N3 O4 P S -","- C8 H24 N12 O16 P4 S4 -","4","1","","Matulková, I.; Cihelka, J.; Pojarová, M.; Fejfarová, K.; Dušek, M.; Císařová, I.; Vaněk, P.; Kroupa, J.; Němec, P.; Tesařová, N.; Němec, I.","Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids – crystal engineering, phase transformations and NLO properties","CrystEngComm","2014","16","9","1763","","10.1039/c3ce42306a","","","1.54178","CuKα","","0.0297","0.0296","","","0.0839","0.084","","","","","","1.082","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214029","6.6897","0.0002","8.3773","0.0002","10.9734","0.0003","90","","103.301","0.003","90","","598.47","0.03","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-amino-1,3,4-thiadiazolium(1+) nitrate","","","- C2 H4 N4 O3 S -","- C2 H4 N4 O3 S -","- C8 H16 N16 O12 S4 -","4","1","","Matulková, I.; Cihelka, J.; Pojarová, M.; Fejfarová, K.; Dušek, M.; Císařová, I.; Vaněk, P.; Kroupa, J.; Němec, P.; Tesařová, N.; Němec, I.","Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids – crystal engineering, phase transformations and NLO properties","CrystEngComm","2014","16","9","1763","","10.1039/c3ce42306a","","","1.54178","CuKα","","0.0435","0.0402","","","0.1077","0.1125","","","","","","1.099","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214030","5.5377","0.0001","13.9715","0.0002","7.6737","0.0001","90","","93.472","0.001","90","","592.624","0.016","120","2","120","2","","","","","","","","6","P 1 c 1","P -2yc","7","Bis(2-amino-1,3,4-thiadiazolium(1+) selenate monohydrate","","","- C4 H8 N6 O5 S2 Se -","- C4 H8 N6 O5 S2 Se -","- C8 H16 N12 O10 S4 Se2 -","2","1","","Matulková, I.; Cihelka, J.; Pojarová, M.; Fejfarová, K.; Dušek, M.; Císařová, I.; Vaněk, P.; Kroupa, J.; Němec, P.; Tesařová, N.; Němec, I.","Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids ‒ crystal engineering, phase transformations and NLO properties","CrystEngComm","2014","16","9","1763","","10.1039/c3ce42306a","","","1.54178","CuKα","","0.035","0.035","","","0.0873","0.0873","","","","","","1.129","","","","has coordinates,has disorder","180471","2020-10-21","18:00:00",""
"7214031","4.9574","0.0001","8.7771","0.0002","14.2055","0.0003","90","","97.481","0.002","90","","612.84","0.02","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2-amino-1,3,4-thiadiazolium(1+) chloride monohydrate","","","- C2 H6 Cl N3 O S -","- C2 H6 Cl N3 O S -","- C8 H24 Cl4 N12 O4 S4 -","4","1","","Matulková, I.; Cihelka, J.; Pojarová, M.; Fejfarová, K.; Dušek, M.; Císařová, I.; Vaněk, P.; Kroupa, J.; Němec, P.; Tesařová, N.; Němec, I.","Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids – crystal engineering, phase transformations and NLO properties","CrystEngComm","2014","16","9","1763","","10.1039/c3ce42306a","","","1.54178","CuKα","","0.0652","0.0642","","","0.1793","0.181","","","","","","1.127","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214032","4.9817","0.0001","20.0865","0.0003","11.0569","0.0002","90","","90.643","0.002","90","","1106.34","0.03","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2-amino-1,3,4-tihiadiazole 2-amino-1,3,4-thiadiazolium(1+) perchlorate","","","- C4 H7 Cl N6 O4 S2 -","- C4 H7 Cl N6 O4 S2 -","- C16 H28 Cl4 N24 O16 S8 -","4","1","","Matulková, I.; Cihelka, J.; Pojarová, M.; Fejfarová, K.; Dušek, M.; Císařová, I.; Vaněk, P.; Kroupa, J.; Němec, P.; Tesařová, N.; Němec, I.","Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids – crystal engineering, phase transformations and NLO properties","CrystEngComm","2014","16","9","1763","","10.1039/c3ce42306a","","","1.54178","CuKα","","0.0301","0.0292","","","0.0784","0.0793","","","","","","1.038","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214033","5.0168","0.0003","18.6658","0.0011","7.4367","0.0005","90","","102.148","0.002","90","","680.8","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2-amino-1,3,5-thiadiazolium(1+) perchlorate","","","- C3 H Cl N3 O4 S -","- C2 H4 Cl N3 O4 S -","- C8 H16 Cl4 N12 O16 S4 -","4","1","","Matulková, I.; Cihelka, J.; Pojarová, M.; Fejfarová, K.; Dušek, M.; Císařová, I.; Vaněk, P.; Kroupa, J.; Němec, P.; Tesařová, N.; Němec, I.","Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids ‒ crystal engineering, phase transformations and NLO properties","CrystEngComm","2014","16","9","1763","","10.1039/c3ce42306a","","","0.71073","MoKα","","0.0235","0.0223","","","0.0646","0.0662","","","","","","0.597","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214034","46.552","0.013","15.749","0.004","22.925","0.006","90","","90","","90","","16807","8","223","2","223","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C30 H66 Cl K La Mo12 N20 O78 P -","- C30 H30 Cl K La Mo12 N20 O68 P -","- C240 H240 Cl8 K8 La8 Mo96 N160 O544 P8 -","8","2","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0602","0.049","","","0.114","0.1203","","","","","","1.037","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214035","46.525","0.007","15.707","0.002","22.889","0.003","90","","90","","90","","16727","4","223","2","223","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C30 H66 Ce Cl K Mo12 N20 O78 P -","- C30 H30 Ce Cl K Mo12 N20 O68 P -","- C240 H240 Ce8 Cl8 K8 Mo96 N160 O544 P8 -","8","2","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0582","0.0476","","","0.107","0.113","","","","","","1.036","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214036","46.551","0.005","15.6964","0.0017","22.913","0.003","90","","90","","90","","16742","3","223","2","223","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C30 H69 Cl Mo12 N20 O79 P Pr -","- C30 H30 Cl Mo12 N20 O65 P Pr -","- C240 H240 Cl8 Mo96 N160 O520 P8 Pr8 -","8","2","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0835","0.0564","","","0.1245","0.1357","","","","","","1.015","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214037","22.648","0.004","15.759","0.003","23.177","0.004","90","","90","","90","","8272","3","223","2","223","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C30 H62 Cl K Mo12 N20 Nd O76 P -","- C30 H30 Cl K Mo12 N20 Nd O64 P -","- C120 H120 Cl4 K4 Mo48 N80 Nd4 O256 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.1094","0.0831","","","0.2169","0.2369","","","","","","1.091","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214038","22.655","0.013","15.874","0.009","23.21","0.013","90","","90","","90","","8347","8","223","2","223","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C30 H58 Cl K Mo12 N20 O74 P Sm -","- C30 H30 Cl K Mo12 N20 O65 P Sm -","- C120 H120 Cl4 K4 Mo48 N80 O260 P4 Sm4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0913","0.0648","","","0.1748","0.1914","","","","","","1.118","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214039","22.524","0.004","15.876","0.003","23.193","0.004","90","","90","","90","","8294","3","223","2","223","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C30 H58 Cl Eu K Mo12 N20 O74 P -","- C30 H30 Cl Eu K Mo12 N20 O65 P -","- C120 H120 Cl4 Eu4 K4 Mo48 N80 O260 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0932","0.0628","","","0.1618","0.1773","","","","","","1.086","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214040","22.485","0.003","15.879","0.002","23.163","0.003","90","","90","","90","","8270.1","1.9","223","2","223","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C30 H58 Cl Gd K Mo12 N20 O74 P -","- C30 H30 Cl Gd K Mo12 N20 O65 P -","- C120 H120 Cl4 Gd4 K4 Mo48 N80 O260 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0834","0.0587","","","0.1553","0.1691","","","","","","1.109","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214041","16.5175","0.0013","14.4895","0.0012","33.998","0.003","90","","99.206","0.002","90","","8031.9","1.2","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H60 K2 Mo12 N21 O77 P -","- C30 H30 K2 Mo12 N21 O67 P -","- C120 H120 K8 Mo48 N84 O268 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.095","0.0657","","","0.1736","0.195","","","","","","1.056","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214042","16.4852","0.0011","14.4496","0.0009","33.998","0.002","90","","99.185","0.002","90","","7994.6","0.9","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H62 K2 Mo12 N21 O78 P -","- C30 H30 K2 Mo12 N21 O68 P -","- C120 H120 K8 Mo48 N84 O272 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0719","0.0608","","","0.1457","0.1516","","","","","","1.051","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214043","16.488","0.0007","14.4729","0.0006","33.9442","0.0013","90","","99.196","0.002","90","","7996","0.6","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H62 K2 Mo12 N21 O78 P -","- C30 H30 K2 Mo12 N21 O69 P -","- C120 H120 K8 Mo48 N84 O276 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0756","0.0557","","","0.1388","0.1497","","","","","","1.065","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214044","16.536","0.002","14.4599","0.0018","33.916","0.004","90","","99.14","0.004","90","","8006.7","1.7","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H62 K2 Mo12 N21 O78 P -","- C30 H30 K2 Mo12 N21 O67 P -","- C120 H120 K8 Mo48 N84 O268 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0749","0.0531","","","0.1381","0.152","","","","","","1.093","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214045","16.5232","0.0015","14.4587","0.0012","33.985","0.003","90","","99.026","0.003","90","","8018.6","1.2","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H63 K2 Mo12 N20 O76 P -","- C30 H30 K2 Mo12 N20 O65 P -","- C120 H120 K8 Mo48 N80 O260 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.1025","0.0688","","","0.193","0.2092","","","","","","1.077","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214046","16.622","0.002","14.5029","0.0019","33.98","0.005","90","","98.924","0.004","90","","8092.3","1.9","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H61 K2 Mo12 N20 O75 P -","- C30 H30 K2 Mo12 N20 O65 P -","- C120 H120 K8 Mo48 N80 O260 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0561","0.0489","","","0.1439","0.1482","","","","","","1.094","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214047","16.543","0.002","14.4575","0.0018","33.922","0.004","90","","99.052","0.004","90","","8012.1","1.7","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H61 K2 Mo12 N20 O75 P -","- C30 H30 K2 Mo12 N20 O67 P -","- C120 H120 K8 Mo48 N80 O268 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0842","0.0649","","","0.1967","0.219","","","","","","1.077","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214048","14.812","0.006","13.727","0.005","14.452","0.005","90","","112.457","0.006","90","","2715.6","1.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 Co F6 N2 O4 -","- C29 H20 Co F6 N2 O4 -","- C116 H80 Co4 F24 N8 O16 -","4","1","","Han, Li-Wei; Lü, Jian; Lin, Zu-Jin; Cao, Rong","Cobalt-cluster-based coordination polymers with size-matching mixed ligands","CrystEngComm","2014","16","9","1749","","10.1039/c3ce42110d","","","0.71073","MoKα","","0.0604","0.0481","","","0.0897","0.0958","","","","","","1.112","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214049","13.336","0.006","24.714","0.01","14.403","0.006","90","","112.42","0.007","90","","4388","3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C92 H58 Co3 F24 N4 O16 -","- C92 H58 Co3 F24 N4 O16 -","- C184 H116 Co6 F48 N8 O32 -","2","0.5","","Han, Li-Wei; Lü, Jian; Lin, Zu-Jin; Cao, Rong","Cobalt-cluster-based coordination polymers with size-matching mixed ligands","CrystEngComm","2014","16","9","1749","","10.1039/c3ce42110d","","","0.71073","MoKα","","0.0834","0.0644","","","0.1602","0.1745","","","","","","1.069","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214050","15.792","0.005","15.821","0.005","18.031","0.006","100.763","0.004","100.701","0.002","100.779","0.003","4233","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H94 Co5 F24 N8 O22 -","- C92 H56 Co5 F24 N4 O18 -","- C92 H56 Co5 F24 N4 O18 -","1","0.5","","Han, Li-Wei; Lü, Jian; Lin, Zu-Jin; Cao, Rong","Cobalt-cluster-based coordination polymers with size-matching mixed ligands","CrystEngComm","2014","16","9","1749","","10.1039/c3ce42110d","","","0.71073","MoKα","","0.0902","0.0702","","","0.1948","0.2067","","","","","","0.93","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214051","9.5231","0.001","10.2095","0.0011","11.7475","0.0013","105.625","0.001","91.665","0.001","106.879","0.001","1045.4","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 N6 O6 Zn -","- C17 H22 N6 O6 Zn -","- C34 H44 N12 O12 Zn2 -","2","1","","Han, Min-Le; Chang, Xin-Hong; Feng, Xun; Ma, Lu-Fang; Wang, Li-Ya","Temperature and pH driven self-assembly of Zn(ii) coordination polymers: crystal structures, supramolecular isomerism, and photoluminescence","CrystEngComm","2014","16","9","1687","","10.1039/c3ce41968a","","","0.71073","MoKα","","0.0369","0.0302","","","0.0734","0.077","","","","","","1.062","","","","has coordinates,has disorder","180471","2020-10-21","18:00:00",""
"7214052","16.879","0.004","8.2185","0.0018","22.862","0.005","90","","92.936","0.002","90","","3167.3","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 N9 O8 Zn2 -","- C30 H30 N9 O8 Zn2 -","- C120 H120 N36 O32 Zn8 -","4","1","","Han, Min-Le; Chang, Xin-Hong; Feng, Xun; Ma, Lu-Fang; Wang, Li-Ya","Temperature and pH driven self-assembly of Zn(ii) coordination polymers: crystal structures, supramolecular isomerism, and photoluminescence","CrystEngComm","2014","16","9","1687","","10.1039/c3ce41968a","","","0.71073","MoKα","","0.0327","0.0254","","","0.0615","0.0648","","","","","","1.03","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214053","9.2209","0.0011","10.2628","0.0012","12.7492","0.0015","111.664","0.001","93.59","0.001","112.631","0.001","1005","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N6 O6 Zn -","- C16 H18 N6 O6 Zn -","- C32 H36 N12 O12 Zn2 -","2","1","","Han, Min-Le; Chang, Xin-Hong; Feng, Xun; Ma, Lu-Fang; Wang, Li-Ya","Temperature and pH driven self-assembly of Zn(ii) coordination polymers: crystal structures, supramolecular isomerism, and photoluminescence","CrystEngComm","2014","16","9","1687","","10.1039/c3ce41968a","","","0.71073","MoKα","","0.0526","0.0454","","","0.1462","0.1526","","","","","","1.113","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214054","17.257","0.004","10.829","0.003","17.134","0.004","90","","101.765","0.003","90","","3134.7","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H30 N6 O14 Zn2 -","- C25 H30 N6 O14 Zn2 -","- C100 H120 N24 O56 Zn8 -","4","0.5","","Han, Min-Le; Chang, Xin-Hong; Feng, Xun; Ma, Lu-Fang; Wang, Li-Ya","Temperature and pH driven self-assembly of Zn(ii) coordination polymers: crystal structures, supramolecular isomerism, and photoluminescence","CrystEngComm","2014","16","9","1687","","10.1039/c3ce41968a","","","0.71073","MoKα","","0.0507","0.036","","","0.0858","0.0946","","","","","","1.041","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214055","18.004","0.005","9.661","0.003","19.023","0.005","90","","112.238","0.003","90","","3062.7","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H30 N6 O14 Zn2 -","- C25 H30 N6 O14 Zn2 -","- C100 H120 N24 O56 Zn8 -","4","0.5","","Han, Min-Le; Chang, Xin-Hong; Feng, Xun; Ma, Lu-Fang; Wang, Li-Ya","Temperature and pH driven self-assembly of Zn(ii) coordination polymers: crystal structures, supramolecular isomerism, and photoluminescence","CrystEngComm","2014","16","9","1687","","10.1039/c3ce41968a","","","0.71073","MoKα","","0.0407","0.0305","","","0.0714","0.0774","","","","","","0.95","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214056","20.682","0.003","10.4091","0.0013","19.858","0.003","90","","118.104","0.003","90","","3771","0.9","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 Cd N7 O8 -","- C14 H15 Cd N7 O8 -","- C112 H120 Cd8 N56 O64 -","8","1","","Ding, Jian-Gang; Zhu, Xia; Cui, Yan-Feng; Liang, Na; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","Structurally versatile cadmium coordination polymers based on bis(1,2,4-triazol)ethane and rigid aromatic multicarboxylates: syntheses, structures and properties","CrystEngComm","2014","16","9","1632","","10.1039/c3ce42189a","","","0.71075","MoKα","","0.0581","0.0411","","","0.0855","0.0936","","","","","","1.021","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214057","21.049","0.004","10.4209","0.0017","20.232","0.004","90","","120.052","0.004","90","","3841.3","1.2","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 Cd I N6 O6 -","- C14 H15 Cd I N6 O6 -","- C112 H120 Cd8 I8 N48 O48 -","8","1","","Ding, Jian-Gang; Zhu, Xia; Cui, Yan-Feng; Liang, Na; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","Structurally versatile cadmium coordination polymers based on bis(1,2,4-triazol)ethane and rigid aromatic multicarboxylates: syntheses, structures and properties","CrystEngComm","2014","16","9","1632","","10.1039/c3ce42189a","","","0.71075","MoKα","","0.0847","0.0538","","","0.1443","0.1615","","","","","","1.066","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214058","7.6185","0.0004","9.5814","0.0014","10.5272","0.0016","85.45","0.02","69.833","0.014","70.509","0.013","679.44","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 Cd N3 O7 -","- C11 H12 Cd N3 O7 -","- C22 H24 Cd2 N6 O14 -","2","1","","Ding, Jian-Gang; Zhu, Xia; Cui, Yan-Feng; Liang, Na; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","Structurally versatile cadmium coordination polymers based on bis(1,2,4-triazol)ethane and rigid aromatic multicarboxylates: syntheses, structures and properties","CrystEngComm","2014","16","9","1632","","10.1039/c3ce42189a","","","0.7107","MoKα","","0.0277","0.0247","","","0.0645","0.0665","","","","","","1.019","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214059","13.2282","0.0016","14.3543","0.0016","16.899","0.002","90","","100.845","0.003","90","","3151.5","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 Cd N12 O13 S -","- C20 H31 Cd N12 O13 S -","- C80 H124 Cd4 N48 O52 S4 -","4","1","","Ding, Jian-Gang; Zhu, Xia; Cui, Yan-Feng; Liang, Na; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","Structurally versatile cadmium coordination polymers based on bis(1,2,4-triazol)ethane and rigid aromatic multicarboxylates: syntheses, structures and properties","CrystEngComm","2014","16","9","1632","","10.1039/c3ce42189a","","","0.7107","MoKα","","0.0468","0.0395","","","0.0935","0.0976","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214060","9.5996","0.001","9.7638","0.0014","9.866","0.0017","88.15","0.017","77.431","0.015","64.293","0.01","811.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H14 Cd N3 O7 -","- C11 H10 Cd N3 O7 -","- C22 H20 Cd2 N6 O14 -","2","1","","Ding, Jian-Gang; Zhu, Xia; Cui, Yan-Feng; Liang, Na; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","Structurally versatile cadmium coordination polymers based on bis(1,2,4-triazol)ethane and rigid aromatic multicarboxylates: syntheses, structures and properties","CrystEngComm","2014","16","9","1632","","10.1039/c3ce42189a","","","0.7107","MoKα","","0.0398","0.0372","","","0.1127","0.1151","","","","","","1.083","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214061","11.014","0.002","10.8512","0.0018","17.237","0.004","90","","106.171","0.005","90","","1978.6","0.7","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H44 Cd2 N12 O21 -","- C22 H36 Cd2 N12 O21 -","- C44 H72 Cd4 N24 O42 -","2","0.5","","Ding, Jian-Gang; Zhu, Xia; Cui, Yan-Feng; Liang, Na; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","Structurally versatile cadmium coordination polymers based on bis(1,2,4-triazol)ethane and rigid aromatic multicarboxylates: syntheses, structures and properties","CrystEngComm","2014","16","9","1632","","10.1039/c3ce42189a","","","0.71075","MoKα","","0.0663","0.0511","","","0.1328","0.1434","","","","","","1.053","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214062","19.6725","0.0014","10.3235","0.0007","10.5318","0.0007","90","","90","","90","","2138.9","0.3","223","2","223","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H16 Cd N6 O6 -","- C20 H16 Cd N6 O6 -","- C80 H64 Cd4 N24 O24 -","4","0.5","","Ding, Jian-Gang; Zhu, Xia; Cui, Yan-Feng; Liang, Na; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","Structurally versatile cadmium coordination polymers based on bis(1,2,4-triazol)ethane and rigid aromatic multicarboxylates: syntheses, structures and properties","CrystEngComm","2014","16","9","1632","","10.1039/c3ce42189a","","","0.71075","MoKα","","0.0422","0.0358","","","0.0925","0.0969","","","","","","1.084","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214063","8.0884","0.0014","9.9983","0.0019","10.646","0.002","113.859","0.003","95.105","0.002","91.085","0.002","782.8","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H13 Cd N4 O9 -","- C11 H13 Cd N4 O9 -","- C22 H26 Cd2 N8 O18 -","2","1","","Ding, Jian-Gang; Zhu, Xia; Cui, Yan-Feng; Liang, Na; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","Structurally versatile cadmium coordination polymers based on bis(1,2,4-triazol)ethane and rigid aromatic multicarboxylates: syntheses, structures and properties","CrystEngComm","2014","16","9","1632","","10.1039/c3ce42189a","","","0.71075","MoKα","","0.0241","0.0208","","","0.0435","0.044","","","","","","0.995","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214064","8.891","0.003","9.658","0.003","13.359","0.004","100.128","0.004","90.511","0.003","116.456","0.004","1006","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cd3 N12 O18 S2 -","- C28 H30 Cd3 N12 O18 S2 -","- C28 H30 Cd3 N12 O18 S2 -","1","0.5","","Ding, Jian-Gang; Zhu, Xia; Cui, Yan-Feng; Liang, Na; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","Structurally versatile cadmium coordination polymers based on bis(1,2,4-triazol)ethane and rigid aromatic multicarboxylates: syntheses, structures and properties","CrystEngComm","2014","16","9","1632","","10.1039/c3ce42189a","","","0.7107","MoKα","","0.035","0.029","","","0.0672","0.0759","","","","","","1.031","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214065","4.3006","0.0012","12.286","0.004","21.406","0.006","90","","90","","90","","1131","0.6","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 F3 N O2 S -","- C10 H10 F3 N O2 S -","- C40 H40 F12 N4 O8 S4 -","4","1","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.0422","0.0371","","","0.0862","0.0892","","","","","","1.052","","","","has coordinates,has disorder","301864","2025-08-22","15:14:33",""
"7214066","9.359","0.003","19.512","0.006","18.547","0.006","90","","90","","90","","3386.9","1.9","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C17 H17 F3 N2 S -","- C17 H17 F3 N2 S -","- C136 H136 F24 N16 S8 -","8","1","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.074","0.0531","","","0.1321","0.1462","","","","","","1.033","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214067","6.9316","0.0002","15.6631","0.0005","10.342","0.0003","90","","100.871","0.0018","90","","1102.68","0.06","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 S -","- C13 H10 N2 S -","- C52 H40 N8 S4 -","4","1","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.0509","0.0389","","","0.0995","0.1068","","","","","","1.052","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214068","6.2054","0.0002","11.0782","0.0004","15.7022","0.0004","79.262","0.0018","81.6799","0.0018","81.0105","0.001","1040.06","0.06","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H9 N3 S -","- C12 H9 N3 S -","- C48 H36 N12 S4 -","4","2","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.0439","0.0382","","","0.0991","0.1047","","","","","","1.041","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214069","4.8958","0.0002","13.2251","0.0006","15.7846","0.0008","90","","90","","90","","1022.01","0.08","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N3 S -","- C12 H9 N3 S -","- C48 H36 N12 S4 -","4","1","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.0547","0.0451","","","0.1031","0.1102","","","","","","1.095","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214070","15.6603","0.0003","7.402","0.0001","18.6797","0.0003","90","","106.78","0.0009","90","","2073.11","0.06","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N3 S -","- C12 H9 N3 S -","- C96 H72 N24 S8 -","8","2","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.0489","0.0376","","","0.0946","0.1023","","","","","","1.026","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214071","9.6844","0.0006","10.0511","0.0006","21.3621","0.0014","90","","90","","90","","2079.4","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H8 N2 S2 -","- C11 H8 N2 S2 -","- C88 H64 N16 S16 -","8","1","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.0438","0.042","","","0.1137","0.115","","","","","","1.128","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214072","7.4294","0.0003","12.5543","0.0006","12.7463","0.0005","90","","92.878","0.003","90","","1187.36","0.09","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N3 O2 S -","- C13 H9 N3 O2 S -","- C52 H36 N12 O8 S4 -","4","1","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.0937","0.0611","","","0.1316","0.151","","","","","","1.102","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214073","13.173","0.003","7.018","0.0014","14.651","0.003","90","","108.59","0.03","90","","1283.8","0.5","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 N4 O4 S -","- C13 H8 N4 O4 S -","- C52 H32 N16 O16 S4 -","4","1","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.0446","0.0346","","","0.1027","0.1125","","","","","","1.023","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214074","24.399","0.005","5.254","0.0011","9.3849","0.0019","90","","95.68","0.03","90","","1197.2","0.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O S -","- C14 H12 N2 O S -","- C56 H48 N8 O4 S4 -","4","1","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.0941","0.0557","","","0.1344","0.1544","","","","","","0.984","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214075","14.857","0.002","13.0971","0.0019","26.97","0.004","90","","90.959","0.004","90","","5247.2","1.3","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H9 F3 N2 S -","- C14 H9 F3 N2 S -","- C224 H144 F48 N32 S16 -","16","4","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.1131","0.1056","","","0.3009","0.3112","","","","","","1.098","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214076","6.3326","0.0003","13.4313","0.0008","14.9364","0.0008","72.429","0.002","79.14","0.002","89.112","0.002","1188.29","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 F2 N5 O2 S -","- C26 H23 F2 N5 O2 S -","- C52 H46 F4 N10 O4 S2 -","2","1","","Shukla, Rahul; Mohan, T. P.; Vishalakshi, B.; Chopra, Deepak","Experimental and theoretical analysis of lp⋯π intermolecular interactions in derivatives of 1,2,4-triazoles","CrystEngComm","2014","16","9","1702","","10.1039/c3ce42286k","","","0.71073","MoKα","","0.0748","0.0636","","","0.1325","0.1383","","","","","","1.149","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214077","6.203","0.0005","13.8341","0.0012","15.109","0.0014","71.303","0.004","80.718","0.004","88.344","0.004","1211.68","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H23 Cl F N5 O2 S -","- C26 H23 Cl F N5 O2 S -","- C52 H46 Cl2 F2 N10 O4 S2 -","2","1","","Shukla, Rahul; Mohan, T. P.; Vishalakshi, B.; Chopra, Deepak","Experimental and theoretical analysis of lp⋯π intermolecular interactions in derivatives of 1,2,4-triazoles","CrystEngComm","2014","16","9","1702","","10.1039/c3ce42286k","","","0.71073","MoKα","","0.0369","0.0347","","","0.0936","0.0958","","","","","","1.048","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214078","6.5674","0.0008","13.5041","0.0017","16.236","0.002","71.902","0.006","86.12","0.006","89.592","0.006","1365.4","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C29.5 H27 Cl F N5 O2 S -","- C29.5 H27 Cl F N5 O2 S -","- C59 H54 Cl2 F2 N10 O4 S2 -","2","1","","Shukla, Rahul; Mohan, T. P.; Vishalakshi, B.; Chopra, Deepak","Experimental and theoretical analysis of lp⋯π intermolecular interactions in derivatives of 1,2,4-triazoles","CrystEngComm","2014","16","9","1702","","10.1039/c3ce42286k","","","0.71073","MoKα","","0.0462","0.0427","","","0.1108","0.1135","","","","","","1.046","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7214079","13.2318","0.0004","24.2575","0.0008","14.1063","0.0005","90","","112.851","0.004","90","","4172.4","0.3","123.01","0.1","123.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NH4[Gd(cdm)4(H2O)4].18c6.3H2O","","","- C28 H50 Gd N13 O17 -","- C28 H50 Gd N13 O17 -","- C112 H200 Gd4 N52 O68 -","4","1","","Emerson, Adrian J.; Edwards, Alison J.; Batten, Stuart R.; Turner, David R.","A neutron diffraction study of hydrogen bonding in isostructural potassium and ammonium lanthanoidates","CrystEngComm","2014","16","9","1625","","10.1039/c3ce42031k","","","0.7107","MoKα","","0.0386","0.0277","","","0.0563","0.0602","","","","","","1.088","","","","has coordinates,has disorder","301864","2025-08-22","15:14:33",""
"7214080","13.2276","0.0005","24.22","0.0008","14.1006","0.0005","90","","112.907","0.004","90","","4161.2","0.3","123.1","0.4","123.1","0.4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NH4[Dy(cdm)4(H2O)4].18c6.3H2O","","","- C28 H50 Dy N13 O17 -","- C28 H50 Dy N13 O17 -","- C112 H200 Dy4 N52 O68 -","4","1","","Emerson, Adrian J.; Edwards, Alison J.; Batten, Stuart R.; Turner, David R.","A neutron diffraction study of hydrogen bonding in isostructural potassium and ammonium lanthanoidates","CrystEngComm","2014","16","9","1625","","10.1039/c3ce42031k","","","0.7107","MoKα","","0.0514","0.0373","","","0.0727","0.0799","","","","","","1.109","","","","has coordinates,has disorder","301864","2025-08-22","15:14:33",""
"7214081","13.2104","0.0006","24.2021","0.0012","14.089","0.0007","90","","112.9","0.001","90","","4149.5","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NH4[Er(cdm)4(H2O)4].18c6.3H2O","","","- C28 H50 Er N13 O17 -","- C28 H50 Er N13 O17 -","- C112 H200 Er4 N52 O68 -","4","1","","Emerson, Adrian J.; Edwards, Alison J.; Batten, Stuart R.; Turner, David R.","A neutron diffraction study of hydrogen bonding in isostructural potassium and ammonium lanthanoidates","CrystEngComm","2014","16","9","1625","","10.1039/c3ce42031k","","","0.71073","MoKα","","0.0402","0.0304","","","0.0615","0.0653","","","","","","1.001","","","","has coordinates,has disorder","301864","2025-08-22","15:14:33",""
"7214082","13.3165","0.0004","24.168","0.0006","14.0333","0.0004","90","","112.917","0.004","90","","4159.9","0.2","123.1","0.4","123.1","0.4","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Gd(cdm)4(H2O)4][K(18c6)(H2O)2].H2O","","","- C28 H46 Gd K N12 O17 -","- C28 H46 Gd K N12 O17 -","- C112 H184 Gd4 K4 N48 O68 -","4","1","","Emerson, Adrian J.; Edwards, Alison J.; Batten, Stuart R.; Turner, David R.","A neutron diffraction study of hydrogen bonding in isostructural potassium and ammonium lanthanoidates","CrystEngComm","2014","16","9","1625","","10.1039/c3ce42031k","","","0.7107","MoKα","","0.0398","0.0292","","","0.0593","0.0644","","","","","","1.044","","","","has coordinates,has disorder","180471","2020-10-21","18:00:00",""
"7214083","13.2831","0.0006","24.0971","0.0012","13.996","0.0006","90","","112.895","0.001","90","","4127","0.3","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Dy(cdm)4(H2O)4][K(18c6)(H2O)2].H2O","","","- C28 H46 Dy K N12 O17 -","- C28 H46 Dy K N12 O17 -","- C112 H184 Dy4 K4 N48 O68 -","4","1","","Emerson, Adrian J.; Edwards, Alison J.; Batten, Stuart R.; Turner, David R.","A neutron diffraction study of hydrogen bonding in isostructural potassium and ammonium lanthanoidates","CrystEngComm","2014","16","9","1625","","10.1039/c3ce42031k","","","0.71073","MoKα","","0.0309","0.0257","","","0.0547","0.057","","","","","","1.04","","","","has coordinates,has disorder","180471","2020-10-21","18:00:00",""
"7214084","13.2705","0.0008","24.0464","0.0014","13.9735","0.0008","90","","112.89","0.002","90","","4107.9","0.4","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Er(cdm)4(H2O)4][K(18c6)(H2O)2].H2O","","","- C28 H46 Er K N12 O17 -","- C28 H46 Er K N12 O17 -","- C112 H184 Er4 K4 N48 O68 -","4","1","","Emerson, Adrian J.; Edwards, Alison J.; Batten, Stuart R.; Turner, David R.","A neutron diffraction study of hydrogen bonding in isostructural potassium and ammonium lanthanoidates","CrystEngComm","2014","16","9","1625","","10.1039/c3ce42031k","","","0.71073","MoKα","","0.0317","0.0267","","","0.057","0.059","","","","","","1.028","","","","has coordinates,has disorder","180471","2020-10-21","18:00:00",""
"7214085","13.2276","0.0005","24.22","0.0008","14.1006","0.0005","90","","112.907","0.004","90","","4161.2","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NH4[Dy(cdm)4(H2O)4].18c6.3H2O","","","- C28 H50 Dy N13 O17 -","- C28 H50 Dy N13 O17 -","- C112 H200 Dy4 N52 O68 -","4","1","","Emerson, Adrian J.; Edwards, Alison J.; Batten, Stuart R.; Turner, David R.","A neutron diffraction study of hydrogen bonding in isostructural potassium and ammonium lanthanoidates","CrystEngComm","2014","16","9","1625","","10.1039/c3ce42031k","","neutron","","neutron","","0.106","0.075","","","0.2014","0.215","","","","","","1.675","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214086","13.2831","0.0006","24.0971","0.0012","13.996","0.0006","90","","112.895","0.001","90","","4127","0.3","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[K(18c6)(H2O)2][Dy(cdm)4(H2O)4].H2O","","","- C28 H46 Dy K N12 O17 -","- C28 H46 Dy K N12 O17 -","- C112 H184 Dy4 K4 N48 O68 -","4","1","","Emerson, Adrian J.; Edwards, Alison J.; Batten, Stuart R.; Turner, David R.","A neutron diffraction study of hydrogen bonding in isostructural potassium and ammonium lanthanoidates","CrystEngComm","2014","16","9","1625","","10.1039/c3ce42031k","","neutron","","neutron","","0.127","0.0929","","","0.2469","0.2604","","","","","","2.002","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214087","21.54","0.02","25.71","0.015","31.95","0.01","90.92","0.04","88.87","0.02","74.53","0.02","17045","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C336 H508 N4 O28 -","- C336 H508 N4 O28 -","- C672 H1016 N8 O56 -","2","1","","Brancatelli, Giovanna; Pappalardo, Sebastiano; Gattuso, Giuseppe; Notti, Anna; Pisagatti, Ilenia; Parisi, Melchiorre F.; Geremia, Silvano","Hydrogen bond-assisted solid-state formation of a salt-bridged calix[5]arene pseudo-dimer","CrystEngComm","2014","16","1","89","","10.1039/c3ce41667d","","","0.77491","","","0.1352","0.1276","","","0.3302","0.3342","","","","","","1.047","","","","has coordinates,has disorder","180471","2020-10-21","18:00:00",""
"7214088","12.4824","0.0012","7.3041","0.0007","15.4872","0.0016","90","","97.536","0.003","90","","1399.8","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","TW-6-27 pyridine N-oxide, 1,3,5-F3-2,4,6-I3-benzene","","- C11 H5 F3 I3 N O -","- C11 H5 F3 I3 N O -","- C44 H20 F12 I12 N4 O4 -","4","1","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Constructing molecular polygons using halogen bonding and bifurcated N-oxides","CrystEngComm","2014","16","1","28","","10.1039/c3ce41887a","","","0.71073","MoKα","","0.0267","0.0249","","","0.0578","0.0586","","","","","","1.21","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214089","7.94","0.0005","8.5688","0.0006","11.5503","0.0008","89.243","0.002","83.738","0.002","65.57","0.002","710.77","0.08","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","TW-6-33 4-methylpyridine-N-oxide, 1,2-diiodotetrafluorobenzene","","- C12 H7 F4 I2 N O -","- C12 H7 F4 I2 N O -","- C24 H14 F8 I4 N2 O2 -","2","1","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Constructing molecular polygons using halogen bonding and bifurcated N-oxides","CrystEngComm","2014","16","1","28","","10.1039/c3ce41887a","","","0.71073","MoKα","","0.0307","0.0288","","","0.0753","0.0768","","","","","","1.089","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214090","7.8713","0.0009","23.203","0.003","7.8169","0.0009","90","","92.019","0.004","90","","1426.8","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","TW-6-37 3-methylpyridine-N-oxide, 1,2-diiodotetrafluorobenzene","","- C12 H7 F4 I2 N O -","- C12 H7 F4 I2 N O -","- C48 H28 F16 I8 N4 O4 -","4","1","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Constructing molecular polygons using halogen bonding and bifurcated N-oxides","CrystEngComm","2014","16","1","28","","10.1039/c3ce41887a","","","0.71073","MoKα","","0.0235","0.0221","","","0.0499","0.0505","","","","","","1.186","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214091","14.1359","0.0014","15.1116","0.0015","24.361","0.003","90","","105.927","0.003","90","","5004.1","0.9","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","TW-6-13 (2,3,5,6-Me4-pyrazine-1,4-dioxide)2, (1,2-I2-F4-benzene)4","","- C40 H24 F16 I8 N4 O4 -","- C40 H24 F16 I8 N4 O4 -","- C160 H96 F64 I32 N16 O16 -","4","1","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Constructing molecular polygons using halogen bonding and bifurcated N-oxides","CrystEngComm","2014","16","1","28","","10.1039/c3ce41887a","","","0.71073","MoKα","","0.0386","0.0341","","","0.0793","0.0816","","","","","","1.025","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214092","7.966","0.0006","9.2821","0.0007","10.1097","0.0008","100.812","0.003","106.262","0.002","95.408","0.003","696.29","0.09","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","TW-6-15 2,3,5,6-Me4-pyridine-1,4-dioxide, (1,3,5-F3-2,4,6-I3-benzene)2","","- C20 H12 F6 I6 N2 O2 -","- C20 H12 F6 I6 N2 O2 -","- C20 H12 F6 I6 N2 O2 -","1","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Constructing molecular polygons using halogen bonding and bifurcated N-oxides","CrystEngComm","2014","16","1","28","","10.1039/c3ce41887a","","","0.71073","MoKα","","0.022","0.0204","","","0.0522","0.053","","","","","","1.133","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214093","10.5781","0.0014","11.0107","0.0014","11.389","0.003","101.089","0.002","109.288","0.002","108.473","0.001","1120.3","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H14 Ag8 Mo8 N16 O28 S4 -","- C8 H12 Ag8 Mo8 N16 O28 S4 -","- C8 H12 Ag8 Mo8 N16 O28 S4 -","1","0.5","","Xu, Xiao; Ju, Weiwei; Hou, Wentao; Zhu, Dunru; Xu, Yan","Two octamolybdate-based complexes: hydrothermal synthesis, structural characterization and properties","CrystEngComm","2014","16","1","82","","10.1039/c3ce41706a","","","0.71073","MoKα","","0.0424","0.0323","","","0.0714","0.075","","","","","","1.09","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214094","9.982","0.002","11.711","0.004","13.987","0.002","72.133","0.003","74.511","0.002","78.879","0.002","1488.7","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C2.77 H3.23 Ag0.31 Mo0.62 N1.38 O2 -","- C2.76923 H3.23077 Ag0.307692 Mo0.615385 N1.38462 O2 -","- C36 H42 Ag4 Mo8 N18 O26 -","13","6.5","","Xu, Xiao; Ju, Weiwei; Hou, Wentao; Zhu, Dunru; Xu, Yan","Two octamolybdate-based complexes: hydrothermal synthesis, structural characterization and properties","CrystEngComm","2014","16","1","82","","10.1039/c3ce41706a","","","0.71073","MoKα","","0.0718","0.0503","","","0.1457","0.1627","","","","","","1.089","","","","has coordinates,has disorder","180471","2020-10-21","18:00:00",""
"7214095","9.6707","0.0007","12.307","0.0007","14.5432","0.0012","85.266","0.002","74.549","0.005","82.829","0.006","1653.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H38 N6 O8 S -","- C31 H38 N6 O8 S -","- C62 H76 N12 O16 S2 -","2","1","","Žegarac, Miroslav; Lekšić, Edislav; Šket, Primož; Plavec, Janez; Devčić Bogdanović, Maja; Bučar, Dejan-Krešimir; Dumić, Miljenko; Meštrović, Ernest","A sildenafil cocrystal based on acetylsalicylic acid exhibits an enhanced intrinsic dissolution rate","CrystEngComm","2014","16","1","32","","10.1039/c3ce42013b","","","1.54184","CuKα","","0.187","0.1244","","","0.3147","0.3654","","","","","","1.12","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214096","17.0111","0.0011","17.6763","0.0012","20.7596","0.0015","70.129","0.001","70.393","0.001","89.545","0.001","5490.4","0.7","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H40 Cu1.5 N6 O33 S4 -","- C58 H40 Cu1.5 N6 O33 S4 -","- C116 H80 Cu3 N12 O66 S8 -","2","1","","Zheng, Guo-Li; Yang, Guo-Cheng; Song, Shu-Yan; Song, Xue-Zhi; Zhang, Hong-Jie","Constructing porous MOF based on the assembly of layer framework and p-sulfonatocalix[4]arene nanocapsule with proton-conductive property","CrystEngComm","2014","16","1","64","","10.1039/c2ce26075a","","","0.71073","MoKα","","0.1306","0.0929","","","0.2537","0.2774","","","","","","0.961","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214097","17.778","0.0013","17.778","0.0013","18.6529","0.0013","90","","90","","120","","5105.6","0.6","210","2","210","2","","","","","","","","5","R -3 :H","-R 3","148","","(2-methyl-imidazolate-4-amide-5-imidato)-cobalt(II) dimethylformamide solvate","","- C7.5 H9.5 Co N4.5 O2.5 -","- C6 H6 Co N4 O2 -","- C108 H108 Co18 N72 O36 -","18","1","","Mondal, Suvendu Sekhar; Bhunia, Asamanjoy; Demeshko, Serhiy; Kelling, Alexandra; Schilde, Uwe; Janiak, Christoph; Holdt, Hans-Jürgen","Synthesis of a Co(ii)‒imidazolate framework from an anionic linker precursor: gas-sorption and magnetic properties","CrystEngComm","2014","16","1","39","","10.1039/c3ce42040j","","","0.71073","MoKα","","0.0772","0.0482","","","0.1142","0.1245","","","","","","0.984","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214098","10.584","0.002","11.362","0.002","15.896","0.003","107.23","0.03","92.05","0.03","109.7","0.03","1699.3","0.8","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H60 Cd2 Cl4 N4 O8 -","- C80 H60 Cd2 Cl4 N4 O8 -","- C80 H60 Cd2 Cl4 N4 O8 -","1","0.5","","Liu, Dong; Lang, Jian-Ping","Regiospecific photodimerization reactions of an unsymmetrical alkene in two coordination compounds","CrystEngComm","2014","16","1","76","","10.1039/c3ce41609g","","","0.71073","MoKα","","0.0456","0.0371","","","0.0837","0.0868","","","","","","0.974","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214099","8.7925","0.0018","11.978","0.002","14.391","0.003","89.67","0.03","74.91","0.03","81.01","0.03","1444.4","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H46 Cd2 N6 O28 -","- C58 H46 Cd2 N6 O28 -","- C58 H46 Cd2 N6 O28 -","1","0.5","","Liu, Dong; Lang, Jian-Ping","Regiospecific photodimerization reactions of an unsymmetrical alkene in two coordination compounds","CrystEngComm","2014","16","1","76","","10.1039/c3ce41609g","","","0.71073","MoKα","","0.0316","0.0281","","","0.0647","0.0658","","","","","","0.99","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214100","18.423","0.005","18.423","0.005","26.934","0.007","90","","90","","120","","7917","4","173","2","173","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C120 H180 Co6 N6 O50 Zr6 -","- C120 H180 Co6 N6 O50 Zr6 -","- C240 H360 Co12 N12 O100 Zr12 -","2","0.166667","","Malaestean, Iurie L.; Alıcı, Meliha Kutluca; Besson, Claire; Ellern, Arkady; Kögerler, Paul","Solid-state coexistence of {Zr12} and {Zr6} zirconium oxocarboxylate clusters","CrystEngComm","2014","16","1","43","","10.1039/c3ce41829d","","","0.71073","MoKα","","0.0855","0.085","","","0.2102","0.2106","","","","","","1.232","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214101","36.819","0.004","31.046","0.003","28.384","0.005","90","","123.688","0.001","90","","26997","6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C174 H287 Co8 N21 O119 Zr18 -","- C174 H287 Co8 N21 O119 Zr18 -","- C696 H1148 Co32 N84 O476 Zr72 -","4","0.5","","Malaestean, Iurie L.; Alıcı, Meliha Kutluca; Besson, Claire; Ellern, Arkady; Kögerler, Paul","Solid-state coexistence of {Zr12} and {Zr6} zirconium oxocarboxylate clusters","CrystEngComm","2014","16","1","43","","10.1039/c3ce41829d","","","0.71073","MoKα","","0.1198","0.0752","","","0.1916","0.2613","","","","","","1.1","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214102","19.098","0.004","19.098","0.004","16.333","0.003","90","","90","","120","","5159.1","1.8","150","2","150","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C39 H74 N3 O16 P3 -","- C39 H69 N3 O16 P3 -","- C156 H276 N12 O64 P12 -","4","0.333333","","Kalita, Alok Ch.; Sharma, Kamna; Murugavel, Ramaswamy","Pseudopolymorphism leading and two different supramolecular aggregations in a phosphate monoester: role of a rare water-dimer","CrystEngComm","2014","16","1","51","","10.1039/c3ce40912k","","","0.71075","MoKα","","0.0645","0.0638","","","0.1783","0.179","","","","","","1.084","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214103","11.946","0.005","11.952","0.005","12.21","0.005","116.916","0.007","90.454","0.004","92.865","0.007","1551.6","1.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H24 N O5 P -","- C13 H24 N O5 P -","- C52 H96 N4 O20 P4 -","4","2","","Kalita, Alok Ch.; Sharma, Kamna; Murugavel, Ramaswamy","Pseudopolymorphism leading and two different supramolecular aggregations in a phosphate monoester: role of a rare water-dimer","CrystEngComm","2014","16","1","51","","10.1039/c3ce40912k","","","0.71075","MoKα","","0.0654","0.049","","","0.1051","0.1131","","","","","","1.058","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214104","19.394","0.016","35.68","0.03","15.18","0.011","90","","90.311","0.015","90","","10504","15","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H20.66667 N O4.33333 P -","- C12 H19 N O4.33333 P -","- C288 H456 N24 O104 P24 -","24","3","","Kalita, Alok Ch.; Sharma, Kamna; Murugavel, Ramaswamy","Pseudopolymorphism leading and two different supramolecular aggregations in a phosphate monoester: role of a rare water-dimer","CrystEngComm","2014","16","1","51","","10.1039/c3ce40912k","","","0.71075","MoKα","","0.1435","0.1331","","","0.2882","0.2947","","","","","","1.241","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214105","29.37","0.006","20.998","0.003","27.36","0.004","90","","90","","90","","16873","5","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C24 H12 Cd1.81 Na0.69 O12 -","- C24 H12 Cd1.84 Na0.66 O12 -","- C384 H192 Cd29.44 Na10.56 O192 -","16","1","","Luo, Yu-Hui; Yu, Xiao-Yang; Yang, Jia-Jun; Zhang, Hong","An eight-connected porous metal‒organic framework based on hetero pentanuclear clusters","CrystEngComm","2014","16","1","47","","10.1039/c3ce41785a","","","0.71073","MoKα","","0.1016","0.0746","","","0.1961","0.2174","","","","","","0.991","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214106","10.477","0.0004","23.0584","0.001","22.7761","0.0009","90","","99.028","0.002","90","","5434.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H56 N6 Ni S2 -","- C62 H56 N6 Ni S2 -","- C248 H224 N24 Ni4 S8 -","4","1","","Lusi, Matteo; Barbour, Leonard J.","Temperature-dependent guest reorientation: a reversible order–disorder transformation in a single crystal","CrystEngComm","2014","16","1","36","","10.1039/c3ce41572d","","","0.71073","MoKα","","0.082","0.0466","","","0.102","0.1159","","","","","","1.03","","","","has coordinates,has disorder","301864","2025-08-22","15:14:33",""
"7214107","10.477","0.0004","23.0584","0.001","22.7761","0.0009","90","","99.028","0.002","90","","5434.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","173D","","","- C62 H56 N6 Ni S2 -","- C62 H56 N6 Ni S2 -","- C248 H224 N24 Ni4 S8 -","4","1","","Lusi, Matteo; Barbour, Leonard J.","Temperature-dependent guest reorientation: a reversible order‒disorder transformation in a single crystal","CrystEngComm","2014","16","1","36","","10.1039/c3ce41572d","","","0.71073","MoKα","","0.1131","0.0572","","","0.1402","0.1685","","","","","","0.965","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214108","10.5793","0.0002","23.1141","0.0004","22.866","0.0004","90","","99.516","0.001","90","","5514.5","0.17","243","2","243","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H56 N6 Ni S2 -","- C61.968 H55.96 N6 Ni S2 -","- C247.872 H223.84 N24 Ni4 S8 -","4","0.5","","Lusi, Matteo; Barbour, Leonard J.","Temperature-dependent guest reorientation: a reversible order‒disorder transformation in a single crystal","CrystEngComm","2014","16","1","36","","10.1039/c3ce41572d","","","0.71073","MoKα","","0.1116","0.0608","","","0.1572","0.1778","","","","","","0.912","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214109","10.6221","0.0007","23.1917","0.0016","23.0275","0.0015","90","","99.649","0.004","90","","5592.4","0.6","313","2","313","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C61.99 H55.99 N6 Ni S2 -","- C61.984 H55.98 N6 Ni S2 -","- C247.936 H223.92 N24 Ni4 S8 -","4","0.5","","Lusi, Matteo; Barbour, Leonard J.","Temperature-dependent guest reorientation: a reversible order‒disorder transformation in a single crystal","CrystEngComm","2014","16","1","36","","10.1039/c3ce41572d","","","0.71073","MoKα","","0.1347","0.058","","","0.1517","0.1847","","","","","","1.018","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214110","11.0368","0.0005","8.6083","0.0004","12.0762","0.0006","90","","109.049","0.005","90","","1084.51","0.09","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","Celecoxib-2-Pyrrolidinone","","","- C21 H21 F3 N4 O3 S -","- C21 H21 F3 N4 O3 S -","- C42 H42 F6 N8 O6 S2 -","2","1","","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Celecoxib cocrystal polymorphs with cyclic amides: synthons of a sulfonamide drug with carboxamide coformers","CrystEngComm","2014","16","1","24","","10.1039/c3ce41885e","","","0.71073","MoKα","","0.0509","0.0435","","","0.1047","0.1109","","","","","","1.037","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214111","8.0409","0.0005","27.2426","0.0018","11.7927","0.0008","90","","105.806","0.007","90","","2485.6","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Celecoxib-Aza-2-cyclooctanone","","","- C24 H27 F3 N4 O3 S -","- C24 H27 F3 N4 O3 S -","- C96 H108 F12 N16 O12 S4 -","4","1","","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Celecoxib cocrystal polymorphs with cyclic amides: synthons of a sulfonamide drug with carboxamide coformers","CrystEngComm","2014","16","1","24","","10.1039/c3ce41885e","","","0.71073","MoKα","","0.1211","0.076","","","0.2099","0.2281","","","","","","1.031","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214112","11.7189","0.0011","8.7409","0.0006","12.0503","0.001","90","","103.353","0.01","90","","1200.99","0.18","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","Celecoxib-Caprolactam","","","- C23 H25 F3 N4 O3 S -","- C23 H25 F3 N4 O3 S -","- C46 H50 F6 N8 O6 S2 -","2","1","","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Celecoxib cocrystal polymorphs with cyclic amides: synthons of a sulfonamide drug with carboxamide coformers","CrystEngComm","2014","16","1","24","","10.1039/c3ce41885e","","","0.71073","MoKα","","0.0595","0.0544","","","0.1495","0.1559","","","","","","1.017","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214113","8.7346","0.0006","11.2689","0.001","12.2391","0.0009","81.622","0.007","87.56","0.006","73.363","0.007","1141.94","0.16","298","2","298","2","","","","","","","","6","P -1","-P 1","2","Celecoxib-Valerolactam-Form-I","","","- C22 H23 F3 N4 O3 S -","- C22 H23 F3 N4 O3 S -","- C44 H46 F6 N8 O6 S2 -","2","1","","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Celecoxib cocrystal polymorphs with cyclic amides: synthons of a sulfonamide drug with carboxamide coformers","CrystEngComm","2014","16","1","24","","10.1039/c3ce41885e","","","0.71073","MoKα","","0.1207","0.0577","","","0.1078","0.1374","","","","","","0.953","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214114","22.591","0.002","8.6211","0.0008","23.814","0.002","90","","102.163","0.001","90","","4533.9","0.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Celecoxib-Valerolactam-Form-II","","","- C22 H23 F3 N4 O3 S -","- C22 H23 F3 N4 O3 S -","- C176 H184 F24 N32 O24 S8 -","8","2","","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Celecoxib cocrystal polymorphs with cyclic amides: synthons of a sulfonamide drug with carboxamide coformers","CrystEngComm","2014","16","1","24","","10.1039/c3ce41885e","","","0.71073","MoKα","","0.0762","0.0618","","","0.1728","0.1878","","","","","","1.027","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214115","14.8501","0.0018","8.419","0.0011","17.761","0.002","90","","93.901","0.002","90","","2215.4","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Celecoxib-Valerolactam-Form-III","","","- C22 H23 F3 N4 O3 S -","- C22 H23 F3 N4 O3 S -","- C88 H92 F12 N16 O12 S4 -","4","1","","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Celecoxib cocrystal polymorphs with cyclic amides: synthons of a sulfonamide drug with carboxamide coformers","CrystEngComm","2014","16","1","24","","10.1039/c3ce41885e","","","0.71073","MoKα","","0.0998","0.085","","","0.1802","0.1881","","","","","","1.234","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214116","20.6371","0.0005","11.0516","0.0004","20.5751","0.0006","90","","119.356","0.001","90","","4090","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O5 -","- C25 H19 N O5 -","- C200 H152 N8 O40 -","8","2","","Muthusaravanan, Sivasubramanian; Sasikumar, Chinnathambi; Devi Bala, Balasubramanian; Perumal, Subbu","An eco-friendly three-component regio- and stereoselective synthesis of highly functionalized dihydroindeno[1,2-b]pyrroles under grinding","Green Chemistry","2014","16","3","1297","","10.1039/c3gc42150c","","","0.71073","MoKα","","0.0723","0.0511","","","0.1399","0.1589","","","","","","1.022","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214117","14.5983","0.0015","20.935","0.002","8.5228","0.0009","90","","90","","90","","2604.7","0.5","180","2","180","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C9 H21 N O3 -","- C9 H21 N O3 -","- C72 H168 N8 O24 -","8","1","","Vanderveen, Jesse R.; Durelle, Jeremy; Jessop, Philip G.","Design and evaluation of switchable-hydrophilicity solvents","Green Chemistry","2014","16","3","1187","","10.1039/c3gc42164c","","","0.71073","MoKα","","0.0883","0.0614","","","0.1413","0.1531","","","","","","1.075","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214118","9.0629","0.0011","11.2174","0.0014","16.215","0.002","90","","104.835","0.001","90","","1593.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 O3 -","- C20 H14 N2 O3 -","- C80 H56 N8 O12 -","4","1","","Das, Paramita; Dutta, Arghya; Bhaumik, Asim; Mukhopadhyay, Chhanda","Heterogeneous ditopic ZnFe2O4 catalyzed synthesis of 4H-pyrans: further conversion to 1,4-DHPs and report of functional group interconversion from amide to ester","Green Chemistry","2014","16","3","1426","","10.1039/c3gc42095g","","","0.71073","MoKα","","0.0437","0.0356","","","0.1085","0.1196","","","","","","0.843","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214119","10.0929","0.0003","6.337","0.0002","12.8314","0.0004","90","","100.192","0.001","90","","807.73","0.04","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C42 H32 N4 O2 -","2","1","","Das, Paramita; Dutta, Arghya; Bhaumik, Asim; Mukhopadhyay, Chhanda","Heterogeneous ditopic ZnFe2O4 catalyzed synthesis of 4H-pyrans: further conversion to 1,4-DHPs and report of functional group interconversion from amide to ester","Green Chemistry","2014","16","3","1426","","10.1039/c3gc42095g","","","0.71073","MoKα","","0.0558","0.0485","","","0.1422","0.1582","","","","","","0.785","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214120","6.937","0.005","11.638","0.009","13.019","0.01","75.535","0.008","89.874","0.009","76.165","0.008","986.4","1.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H17 N O5 -","- C26 H17 N O5 -","- C52 H34 N2 O10 -","2","1","","Das, Paramita; Dutta, Arghya; Bhaumik, Asim; Mukhopadhyay, Chhanda","Heterogeneous ditopic ZnFe2O4 catalyzed synthesis of 4H-pyrans: further conversion to 1,4-DHPs and report of functional group interconversion from amide to ester","Green Chemistry","2014","16","3","1426","","10.1039/c3gc42095g","","","0.71073","MoKα","","0.0998","0.0635","","","0.1788","0.2145","","","","","","0.931","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214121","8.6867","0.0005","11.0032","0.0007","12.0059","0.0007","70.06","0.002","84.209","0.002","76.001","0.002","1046.5","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H27 N3 O3 -","- C22 H27 N3 O3 -","- C44 H54 N6 O6 -","2","1","","Das, Paramita; Dutta, Arghya; Bhaumik, Asim; Mukhopadhyay, Chhanda","Heterogeneous ditopic ZnFe2O4 catalyzed synthesis of 4H-pyrans: further conversion to 1,4-DHPs and report of functional group interconversion from amide to ester","Green Chemistry","2014","16","3","1426","","10.1039/c3gc42095g","","","0.71073","MoKα","","0.0653","0.0542","","","0.1683","0.1864","","","","","","0.961","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214122","6.892","0.003","8.967","0.003","8.538","0.003","90","","112.7","0.004","90","","486.8","0.3","571","2","571","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","dia-2","dia-cyclopentadienyldibromodicarbonyl Re(III)","","- C7 H5 Br2 O2 Re -","- C7 H5 Br2 O2 Re -","- C14 H10 Br4 O4 Re2 -","2","0.5","","Hernández, José G.; Macdonald, Neil A. J.; Mottillo, Cristina; Butler, Ian S.; Friščić, Tomislav","A mechanochemical strategy for oxidative addition: remarkable yields and stereoselectivity in the halogenation of organometallic Re(i) complexes","Green Chemistry","2014","16","3","1087","","10.1039/c3gc42104j","","","0.71073","MoKα","","0.0507","0.0319","","","0.0718","0.0778","","","","","","1.015","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214123","6.34","0.0011","12.504","0.002","6.4937","0.0011","90","","109.161","0.002","90","","486.27","0.14","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","lat-2","lat-cyclopentadienyldibromodicarbonyl Re(III)","","- C7 H5 Br2 O2 Re -","- C7 H5 Br2 O2 Re -","- C14 H10 Br4 O4 Re2 -","2","0.5","","Hernández, José G.; Macdonald, Neil A. J.; Mottillo, Cristina; Butler, Ian S.; Friščić, Tomislav","A mechanochemical strategy for oxidative addition: remarkable yields and stereoselectivity in the halogenation of organometallic Re(i) complexes","Green Chemistry","2014","16","3","1087","","10.1039/c3gc42104j","","","0.71073","MoKα","","0.0441","0.0391","","","0.1058","0.1087","","","","","","1.043","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214124","6.2456","0.0009","12.2155","0.0017","6.2656","0.0009","90","","106.932","0.001","90","","457.3","0.11","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","lat-CpRe(CO)2Cl2","lat-cyclopentadienyldichlorodicarbonyl Re(III)","","- C7 H5 Cl2 O2 Re -","- C7 H5 Cl2 O2 Re -","- C14 H10 Cl4 O4 Re2 -","2","0.5","","Hernández, José G.; Macdonald, Neil A. J.; Mottillo, Cristina; Butler, Ian S.; Friščić, Tomislav","A mechanochemical strategy for oxidative addition: remarkable yields and stereoselectivity in the halogenation of organometallic Re(i) complexes","Green Chemistry","2014","16","3","1087","","10.1039/c3gc42104j","","","0.71073","MoKα","","0.0165","0.0163","","","0.0395","0.0396","","","","","","1.129","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214125","13.389","0.005","9.29","0.004","9.128","0.004","90","","107.669","0.004","90","","1081.8","0.8","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","dia-CpRe(CO)2I2","dia-cyclopentadienyldiiododicarbonyl Re(III)","","- C7 H5 I2 O2 Re -","- C7 H5 I2 O2 Re -","- C28 H20 I8 O8 Re4 -","4","0.5","","Hernández, José G.; Macdonald, Neil A. J.; Mottillo, Cristina; Butler, Ian S.; Friščić, Tomislav","A mechanochemical strategy for oxidative addition: remarkable yields and stereoselectivity in the halogenation of organometallic Re(i) complexes","Green Chemistry","2014","16","3","1087","","10.1039/c3gc42104j","","","0.71073","MoKα","","0.0479","0.0414","","","0.102","0.1076","","","","","","1.052","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214126","10.2819","0.0009","10.7707","0.0009","15.6284","0.0014","90","","90","","90","","1730.7","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 N2 -","- C23 H20 N2 -","- C92 H80 N8 -","4","1","","Solan, Agnes; Nişanci, Bilal; Belcher, Miranda; Young, Jonathon; Schäfer, Christian; Wheeler, Kraig A.; Török, Béla; Dembinski, Roman","Catalyst-free chemo-/regio-/stereo-selective amination of alk-3-ynones. Synthesis of 1,5-benzodiazepines and 3-amino-2-alkenones","Green Chemistry","2014","16","3","1120","","10.1039/c3gc41898g","","","1.54178","CuKα","","0.0568","0.0521","","","0.1401","0.1445","","","","","","1.032","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214127","5.7713","0.0009","16.573","0.002","25.145","0.004","90","","92.354","0.008","90","","2403","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Z)-3-[(2-amino-4,5-dimethylphenyl)amino]-4- (4-tert-butylphenyl)-1-(4-chlorophenyl)but-2-en-1-one","","- C28 H31 Cl N2 O -","- C28 H31 Cl N2 O -","- C112 H124 Cl4 N8 O4 -","4","1","","Solan, Agnes; Nişanci, Bilal; Belcher, Miranda; Young, Jonathon; Schäfer, Christian; Wheeler, Kraig A.; Török, Béla; Dembinski, Roman","Catalyst-free chemo-/regio-/stereo-selective amination of alk-3-ynones. Synthesis of 1,5-benzodiazepines and 3-amino-2-alkenones","Green Chemistry","2014","16","3","1120","","10.1039/c3gc41898g","","","1.54178","CuKα","","0.0753","0.0403","","","0.0874","0.0997","","","","","","1.026","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214128","11.0906","0.0003","14.6981","0.0005","7.6029","0.0008","90","","90","","90","","1239.35","0.14","250","2","250","2","","","","","","","","4","P n a 21","P 2c -2n","33","(pa)2(ox)","1-propylammonium oxalate","","- C8 H20 N2 O4 -","- C8 H20 N2 O4 -","- C32 H80 N8 O16 -","4","1","","Qi, Feng; Stein, Robin S.; Friščić, Tomislav","Mimicking mineral neogenesis for the clean synthesis of metal‒organic materials from mineral feedstocks: coordination polymers, MOFs and metal oxide separation","Green Chemistry","2014","16","1","121","","10.1039/c3gc41370e","","","0.71073","MoKα","","0.1177","0.0807","","","0.2215","0.2622","","","","","","1.05","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214129","8.459","0.003","15.354","0.006","8.964","0.003","90","","94.69","0.012","90","","1160.3","0.7","100","2","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H29 F6 N2 P S -","- C21 H29 F6 N2 P S -","- C42 H58 F12 N4 P2 S2 -","2","1","","Foreiter, Magdalena B.; Gunaratne, H. Q. Nimal; Nockemann, Peter; Seddon, Kenneth R.; Srinivasan, Geetha","Novel chiral ionic liquids: physicochemical properties and investigation of the internal rotameric behaviour in the neat system.","Physical chemistry chemical physics : PCCP","2014","16","3","1208","1226","10.1039/c3cp53472c","","","1.54187","CuKα","","0.0656","0.0655","","","0.1692","0.1695","","","","","","1.047","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214130","12.0601","0.0008","12.5854","0.0003","12.9527","0.0004","90","","90","","90","","1965.98","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 Br N2 S -","- C19 H25 Br N2 S -","- C76 H100 Br4 N8 S4 -","4","1","","Foreiter, Magdalena B.; Gunaratne, H. Q. Nimal; Nockemann, Peter; Seddon, Kenneth R.; Srinivasan, Geetha","Novel chiral ionic liquids: physicochemical properties and investigation of the internal rotameric behaviour in the neat system.","Physical chemistry chemical physics : PCCP","2014","16","3","1208","1226","10.1039/c3cp53472c","","","0.71073","MoKα","","0.0306","0.0228","","","0.0407","0.0428","","","","","","1.022","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214131","5.097","0.002","10.746","0.005","16.604","0.007","96.374","0.01","94.825","0.011","97.872","0.011","890.7","0.7","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1,3-bis[4-(N,N-di-n-hexylamino)-2,6-dihydroxyphenyl]-squaraine","","- C40 H60 N2 O6 -","- C40 H60 N2 O6 -","- C40 H60 N2 O6 -","1","0.5","","Brück, S; Krause, C.; Turrisi, R.; Beverina, L.; Wilken, S.; Saak, W.; Lützen, A; Borchert, H.; Schiek, M.; Parisi, J.","Structure-property relationship of anilino-squaraines in organic solar cells.","Physical chemistry chemical physics : PCCP","2014","16","3","1067","1077","10.1039/c3cp54163k","","","0.71073","MoKα","","0.12","0.0583","","","0.1162","0.1387","","","","","","1.007","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214132","5.6706","0.0002","16.8421","0.0007","14.3536","0.0006","90","","97.943","0.002","90","","1357.69","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-bis[4-(N-sec-butyl-N-n-propylamino)-2,6-dihydroxyphenyl]squaraine","","- C30 H40 N2 O6 -","- C30 H40 N2 O6 -","- C60 H80 N4 O12 -","2","0.5","","Brück, S; Krause, C.; Turrisi, R.; Beverina, L.; Wilken, S.; Saak, W.; Lützen, A; Borchert, H.; Schiek, M.; Parisi, J.","Structure-property relationship of anilino-squaraines in organic solar cells.","Physical chemistry chemical physics : PCCP","2014","16","3","1067","1077","10.1039/c3cp54163k","","","0.71073","MoKα","","0.0802","0.0614","","","0.1467","0.1571","","","","","","1.054","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214133","29.713","0.004","4.9822","0.0002","25.526","0.004","90","","136.84","0.03","90","","2584.8","1.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Isonicotinamide 4-hydroxy-3-nitrobenzoic acid co-crystal","","- C13 H11 N3 O6 -","- C13 H11 N3 O6 -","- C104 H88 N24 O48 -","8","1","","Stevens, Joanna S.; Byard, Stephen J.; Seaton, Colin C.; Sadiq, Ghazala; Davey, Roger J.; Schroeder, Sven L. M.","Proton transfer and hydrogen bonding in the organic solid state: a combined XRD/XPS/ssNMR study of 17 organic acid-base complexes.","Physical chemistry chemical physics : PCCP","2014","16","3","1150","1160","10.1039/c3cp53907e","","","0.71073","MoKα","","0.0468","0.0342","","","0.0882","0.0917","","","","","","0.942","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214134","12.8093","0.0014","13.1563","0.0012","7.4708","0.0008","90","","90","","90","","1259","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","pyridinium-4-carboxamide 2,4,6-trihydroxybenzoate","","- C13 H12 N2 O6 -","- C13 H12 N2 O6 -","- C52 H48 N8 O24 -","4","1","","Stevens, Joanna S.; Byard, Stephen J.; Seaton, Colin C.; Sadiq, Ghazala; Davey, Roger J.; Schroeder, Sven L. M.","Proton transfer and hydrogen bonding in the organic solid state: a combined XRD/XPS/ssNMR study of 17 organic acid-base complexes.","Physical chemistry chemical physics : PCCP","2014","16","3","1150","1160","10.1039/c3cp53907e","","","0.71073","MoKα","","0.0658","0.0391","","","0.0823","0.1321","","","","","","0.991","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214135","13.638","0.004","16.772","0.004","20.382","0.005","71.783","0.005","80.567","0.007","87.282","0.007","4369","2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H18 Co F15 N6 -","- C47 H18 Co F15 N6 -","- C188 H72 Co4 F60 N24 -","4","2","","Lei, Haitao; Han, Ali; Li, Fengwang; Zhang, Meining; Han, Yongzhen; Du, Pingwu; Lai, Wenzhen; Cao, Rui","Electrochemical, spectroscopic and theoretical studies of a simple bifunctional cobalt corrole catalyst for oxygen evolution and hydrogen production.","Physical chemistry chemical physics : PCCP","2014","16","5","1883","1893","10.1039/c3cp54361g","","","0.71073","MoKα","","0.1441","0.0989","","","0.2547","0.2712","","","","","","1.037","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214136","6.0346","0.0001","19.3933","0.0004","7.4728","0.0002","90","","94.931","0.001","90","","871.31","0.03","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H18 N4 O -","- C22 H18 N4 O -","- C44 H36 N8 O2 -","2","1","","Bronner, Catherine; Wenger, Oliver S.","Long-range proton-coupled electron transfer in phenol-Ru(2,2'-bipyrazine)3(2+) dyads.","Physical chemistry chemical physics : PCCP","2014","16","8","3617","3622","10.1039/c3cp55071k","","","0.71073","MoKα","","0.0384","0.0361","","","0.1011","0.1031","","","","","","1.053","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214137","13.2539","0.0016","4.4978","0.0005","15.1638","0.0018","90","","113.097","0.001","90","","831.51","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 N3 O2 -","- C8 H7 N3 O2 -","- C32 H28 N12 O8 -","4","1","","Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Qin, Ting-Xiao; Ng, Seik Weng","Metal-directed assembly of coordination polymers with the versatile ligand 2-(1H-benzotriazol-1-yl) acetic acid: from discrete structures to two-dimensional networks","CrystEngComm","2014","16","13","2660","","10.1039/c3ce42099j","","","0.71073","MoKα","","0.0581","0.0409","","","0.1062","0.1181","","","","","","1.045","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214138","7.5226","0.0005","8.9711","0.0006","9.9836","0.0006","108.789","0.001","96.883","0.001","96.573","0.001","624.8","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H32 Co N6 O14 -","- C16 H32 Co N6 O14 -","- C16 H32 Co N6 O14 -","1","0.5","","Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Qin, Ting-Xiao; Ng, Seik Weng","Metal-directed assembly of coordination polymers with the versatile ligand 2-(1H-benzotriazol-1-yl) acetic acid: from discrete structures to two-dimensional networks","CrystEngComm","2014","16","13","2660","","10.1039/c3ce42099j","","","0.71073","MoKα","","0.0381","0.0377","","","0.1135","0.1139","","","","","","1.236","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214139","7.6133","0.0007","9.0446","0.0009","9.8805","0.0009","109.078","0.001","97.01","0.001","96.388","0.001","629.85","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H32 N6 Ni O14 -","- C16 H32 N6 Ni O14 -","- C16 H32 N6 Ni O14 -","1","0.5","","Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Qin, Ting-Xiao; Ng, Seik Weng","Metal-directed assembly of coordination polymers with the versatile ligand 2-(1H-benzotriazol-1-yl) acetic acid: from discrete structures to two-dimensional networks","CrystEngComm","2014","16","13","2660","","10.1039/c3ce42099j","","","0.71073","MoKα","","0.0398","0.0354","","","0.1003","0.1043","","","","","","1.083","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214140","9.726","0.012","10.303","0.013","13.774","0.017","82.146","0.018","71.384","0.018","83.78","0.02","1293","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H44 Cu2 N18 O14 -","- C48 H44 Cu2 N18 O14 -","- C48 H44 Cu2 N18 O14 -","1","0.5","","Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Qin, Ting-Xiao; Ng, Seik Weng","Metal-directed assembly of coordination polymers with the versatile ligand 2-(1H-benzotriazol-1-yl) acetic acid: from discrete structures to two-dimensional networks","CrystEngComm","2014","16","13","2660","","10.1039/c3ce42099j","","","0.71073","MoKα","","0.1468","0.0571","","","0.0846","0.107","","","","","","1.009","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214141","6.9803","0.0001","8.0918","0.0001","9.3207","0.0001","70.662","0.001","74.329","0.001","74.113","0.001","468.351","0.011","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H8 Ag N3 O3 -","- C8 H8 Ag N3 O3 -","- C16 H16 Ag2 N6 O6 -","2","1","","Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Qin, Ting-Xiao; Ng, Seik Weng","Metal-directed assembly of coordination polymers with the versatile ligand 2-(1H-benzotriazol-1-yl) acetic acid: from discrete structures to two-dimensional networks","CrystEngComm","2014","16","13","2660","","10.1039/c3ce42099j","","","0.71073","MoKα","","0.0272","0.0245","","","0.059","0.061","","","","","","1.052","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214142","13.3029","0.001","15.8363","0.0012","8.052","0.0006","90","","93.003","0.001","90","","1694","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 N6 O5 Zn -","- C16 H14 N6 O5 Zn -","- C64 H56 N24 O20 Zn4 -","4","0.5","","Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Qin, Ting-Xiao; Ng, Seik Weng","Metal-directed assembly of coordination polymers with the versatile ligand 2-(1H-benzotriazol-1-yl) acetic acid: from discrete structures to two-dimensional networks","CrystEngComm","2014","16","13","2660","","10.1039/c3ce42099j","","","0.71073","MoKα","","0.0236","0.0219","","","0.0614","0.0625","","","","","","1.054","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214143","13.7012","0.0009","16.2853","0.001","7.9527","0.0005","90","","95.641","0.001","90","","1765.88","0.19","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Cd N6 O5 -","- C16 H14 Cd N6 O5 -","- C64 H56 Cd4 N24 O20 -","4","0.5","","Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Qin, Ting-Xiao; Ng, Seik Weng","Metal-directed assembly of coordination polymers with the versatile ligand 2-(1H-benzotriazol-1-yl) acetic acid: from discrete structures to two-dimensional networks","CrystEngComm","2014","16","13","2660","","10.1039/c3ce42099j","","","0.71073","MoKα","","0.0179","0.0168","","","0.0461","0.047","","","","","","1.023","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214144","9.485","0.0009","10.5635","0.001","15.7452","0.0016","98.015","0.001","91.021","0.001","114.802","0.001","1413","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 Cu2 N9 O8 -","- C24 H21 Cu2 N9 O8 -","- C48 H42 Cu4 N18 O16 -","2","1","","Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Qin, Ting-Xiao; Ng, Seik Weng","Metal-directed assembly of coordination polymers with the versatile ligand 2-(1H-benzotriazol-1-yl) acetic acid: from discrete structures to two-dimensional networks","CrystEngComm","2014","16","13","2660","","10.1039/c3ce42099j","","","0.71073","MoKα","","0.0596","0.0457","","","0.1355","0.1465","","","","","","1.046","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214145","16.2735","0.0018","7.0113","0.0008","7.9722","0.0009","90","","90.037","0.001","90","","909.61","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Mn N6 O6 -","- C16 H16 Mn N6 O6 -","- C32 H32 Mn2 N12 O12 -","2","0.5","","Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Qin, Ting-Xiao; Ng, Seik Weng","Metal-directed assembly of coordination polymers with the versatile ligand 2-(1H-benzotriazol-1-yl) acetic acid: from discrete structures to two-dimensional networks","CrystEngComm","2014","16","13","2660","","10.1039/c3ce42099j","","","0.71073","MoKα","","0.0402","0.0312","","","0.0752","0.0866","","","","","","1.105","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214146","8.697","0.004","18.417","0.003","19.169","0.004","90","","107.498","0.013","90","","2928.3","1.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N5 -","- C18 H13 N5 -","- C144 H104 N40 -","8","2","","Wang, Hai-Ning; Shan, Guo-Gang; Li, Hai-Bin; Wang, Xin-Long; Cao, Hong-Tao; Su, Zhong-Min","A series of coordination compounds containing rigid multi-pyridine based ligands: syntheses, structures and properties","CrystEngComm","2014","16","13","2754","","10.1039/c3ce41841c","","","0.71069","MoKα","","0.0763","0.0426","","","0.089","0.0997","","","","","","0.905","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214147","7.548","0.004","10.06","0.005","30.328","0.003","85.046","0.004","87.38","0.002","77.318","0.001","2237.5","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H45 N12 O15.5 Zn -","- C36 H30 N12 O15.5 Zn -","- C72 H60 N24 O31 Zn2 -","2","1","","Wang, Hai-Ning; Shan, Guo-Gang; Li, Hai-Bin; Wang, Xin-Long; Cao, Hong-Tao; Su, Zhong-Min","A series of coordination compounds containing rigid multi-pyridine based ligands: syntheses, structures and properties","CrystEngComm","2014","16","13","2754","","10.1039/c3ce41841c","","","0.71069","MoKα","","0.1422","0.1039","","","0.2595","0.2826","","","","","","1.102","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214148","11.642","0.003","10.284","0.005","19.916","0.003","90","","114.706","0.016","90","","2166.2","1.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C40 H46 N10 O11 Zn -","- C40 H36 N10 O11 Zn -","- C80 H72 N20 O22 Zn2 -","2","0.5","","Wang, Hai-Ning; Shan, Guo-Gang; Li, Hai-Bin; Wang, Xin-Long; Cao, Hong-Tao; Su, Zhong-Min","A series of coordination compounds containing rigid multi-pyridine based ligands: syntheses, structures and properties","CrystEngComm","2014","16","13","2754","","10.1039/c3ce41841c","","","0.71069","MoKα","","0.126","0.0553","","","0.1135","0.1351","","","","","","0.869","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214149","12.036","0.003","10.259","0.003","17.392","0.004","90","","103.406","0.004","90","","2089","0.9","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C36 H44 Cd N12 O15 -","- C36 H26 Cd N12 O15 -","- C72 H52 Cd2 N24 O30 -","2","0.5","","Wang, Hai-Ning; Shan, Guo-Gang; Li, Hai-Bin; Wang, Xin-Long; Cao, Hong-Tao; Su, Zhong-Min","A series of coordination compounds containing rigid multi-pyridine based ligands: syntheses, structures and properties","CrystEngComm","2014","16","13","2754","","10.1039/c3ce41841c","","","0.71069","MoKα","","0.151","0.0965","","","0.265","0.293","","","","","","0.994","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214150","10.395","0.003","11.295","0.004","17.949","0.002","74.14","0.004","84.051","0.004","77.807","0.003","1979.1","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 Cd N10 O7 -","- C40 H31 Cd N10 O7 -","- C80 H62 Cd2 N20 O14 -","2","1","","Wang, Hai-Ning; Shan, Guo-Gang; Li, Hai-Bin; Wang, Xin-Long; Cao, Hong-Tao; Su, Zhong-Min","A series of coordination compounds containing rigid multi-pyridine based ligands: syntheses, structures and properties","CrystEngComm","2014","16","13","2754","","10.1039/c3ce41841c","","","0.71069","MoKα","","0.0996","0.0501","","","0.0971","0.1099","","","","","","0.853","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214151","9.1893","0.0003","26.0295","0.0008","12.8033","0.0004","90","","93.311","0.001","90","","3057.35","0.17","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 Co3 N3 O17 -","- C25 H27 Co3 N3 O17 -","- C100 H108 Co12 N12 O68 -","4","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Su, Chong-Cheng; Hsu, Hui-Huan; Yang, Chen-I; Lu, Kuang-Lieh","An unusual cobalt(ii)-based single-walled metal‒organic nanotube","CrystEngComm","2014","16","13","2626","","10.1039/c3ce41952e","","","0.71073","MoKα","","0.0334","0.0271","","","0.0661","0.079","","","","","","1.105","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214152","19.0317","0.0008","7.4124","0.0004","26.3256","0.0012","90","","90.092","0.002","90","","3713.8","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 Co4 N4 O26 -","- C28 H32 Co4 N4 O26 -","- C112 H128 Co16 N16 O104 -","4","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Su, Chong-Cheng; Hsu, Hui-Huan; Yang, Chen-I; Lu, Kuang-Lieh","An unusual cobalt(ii)-based single-walled metal‒organic nanotube","CrystEngComm","2014","16","13","2626","","10.1039/c3ce41952e","","","0.71073","MoKα","","0.0283","0.0272","","","0.0671","0.068","","","","","","1.037","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214153","16.4253","0.0004","15.1866","0.0004","12.6499","0.0003","90","","101.602","0.001","90","","3090.98","0.13","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 Co2 N6 O14 -","- C28 H34 Co2 N6 O14 -","- C112 H136 Co8 N24 O56 -","4","0.5","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Su, Chong-Cheng; Hsu, Hui-Huan; Yang, Chen-I; Lu, Kuang-Lieh","An unusual cobalt(ii)-based single-walled metal‒organic nanotube","CrystEngComm","2014","16","13","2626","","10.1039/c3ce41952e","","","0.71073","MoKα","","0.0399","0.0361","","","0.0908","0.0935","","","","","","0.997","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214154","14.437","0.009","17.293","0.011","5.604","0.004","90","","90.202","0.008","90","","1399.1","1.6","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 N2 O8 P2 -","- C11 H18 N2 O8 P2 -","- C44 H72 N8 O32 P8 -","4","1","","Tian, Di; Xiong, Juan; Liang, Xi-chao; Deng, Jing; Yuan, Liang-jie; Chen, Shuo-ping","(AEDPH3)·(8-OQH)·(H2O): a yellow supramolecular plaster with ammonia adsorption and ammonia-induced discoloration properties","CrystEngComm","2014","16","13","2732","","10.1039/c3ce41940a","","","0.71073","MoKα","","0.1246","0.1117","","","0.3106","0.3306","","","","","","1.378","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214155","16.654","0.003","20.426","0.004","21.802","0.007","90","","128.991","0.018","90","","5764","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H49 Co3 N3 O23 S3 -","- C48 H38 Co3 N2 O22 S3 -","- C192 H152 Co12 N8 O88 S12 -","4","1","","Huang, Chao; Ji, Feixiang; Liu, Lu; Li, Na; Li, Haofei; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Seven dicarboxylate-based coordination polymers with structural varieties and different solvent resistance properties derived from the introduction of small organic linkers","CrystEngComm","2014","16","13","2615","","10.1039/c3ce42366b","","","0.71073","MoKα","","0.1238","0.0939","","","0.2407","0.2602","","","","","","1.118","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214156","25.087","0.004","25.087","0.004","15.026","0.003","90","","90","","90","","9457","3","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C16 H15 Co2 N3 O9 S -","- C16 H10 Co2 N3 O8 S -","- C256 H160 Co32 N48 O128 S16 -","16","1","","Huang, Chao; Ji, Feixiang; Liu, Lu; Li, Na; Li, Haofei; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Seven dicarboxylate-based coordination polymers with structural varieties and different solvent resistance properties derived from the introduction of small organic linkers","CrystEngComm","2014","16","13","2615","","10.1039/c3ce42366b","","","0.71073","MoKα","","0.0468","0.041","","","0.1055","0.1095","","","","","","1.119","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214157","25.37","0.01","25.37","0.01","15.204","0.003","90","","90","","90","","9786","6","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C16 H16 Co2 N4 O9 S -","- C16 H11 Co2 N4 O8 S -","- C256 H176 Co32 N64 O128 S16 -","16","1","","Huang, Chao; Ji, Feixiang; Liu, Lu; Li, Na; Li, Haofei; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Seven dicarboxylate-based coordination polymers with structural varieties and different solvent resistance properties derived from the introduction of small organic linkers","CrystEngComm","2014","16","13","2615","","10.1039/c3ce42366b","","","0.71073","MoKα","","0.1506","0.1078","","","0.2408","0.2701","","","","","","1.149","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214158","23.564","0.005","7.1412","0.0014","32.254","0.007","90","","105.5","0.03","90","","5230","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 Co N3 O8.5 S2 -","- C24 H16 Co N3 O7 S2 -","- C192 H128 Co8 N24 O56 S16 -","8","1","","Huang, Chao; Ji, Feixiang; Liu, Lu; Li, Na; Li, Haofei; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Seven dicarboxylate-based coordination polymers with structural varieties and different solvent resistance properties derived from the introduction of small organic linkers","CrystEngComm","2014","16","13","2615","","10.1039/c3ce42366b","","","0.71073","MoKα","","0.0825","0.0623","","","0.1252","0.1351","","","","","","1.142","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214159","12.248","0.002","22.262","0.005","7.1435","0.0014","90","","124.47","0.03","90","","1605.8","0.8","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C14 H13 Cu O8.5 S -","- C14 H8 Cu O7 S -","- C56 H32 Cu4 O28 S4 -","4","0.5","","Huang, Chao; Ji, Feixiang; Liu, Lu; Li, Na; Li, Haofei; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Seven dicarboxylate-based coordination polymers with structural varieties and different solvent resistance properties derived from the introduction of small organic linkers","CrystEngComm","2014","16","13","2615","","10.1039/c3ce42366b","","","0.71073","MoKα","","0.0468","0.0409","","","0.095","0.0987","","","","","","1.07","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214160","24.344","0.003","24.344","0.003","15.067","0.003","90","","90","","90","","8929","2","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C16 H15 Cu2 N3 O9 S -","- C16 H10 Cu2 N3 O8 S -","- C256 H160 Cu32 N48 O128 S16 -","16","1","","Huang, Chao; Ji, Feixiang; Liu, Lu; Li, Na; Li, Haofei; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Seven dicarboxylate-based coordination polymers with structural varieties and different solvent resistance properties derived from the introduction of small organic linkers","CrystEngComm","2014","16","13","2615","","10.1039/c3ce42366b","","","0.71073","MoKα","","0.0814","0.0722","","","0.1833","0.1913","","","","","","1.039","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214161","30.671","0.006","16.577","0.003","9.851","0.002","90","","90","","90","","5008.6","1.7","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C18 H15 N8 O6.5 S Zn2 -","- C18 H14 N8 O6 S Zn2 -","- C144 H112 N64 O48 S8 Zn16 -","8","1","","Huang, Chao; Ji, Feixiang; Liu, Lu; Li, Na; Li, Haofei; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Seven dicarboxylate-based coordination polymers with structural varieties and different solvent resistance properties derived from the introduction of small organic linkers","CrystEngComm","2014","16","13","2615","","10.1039/c3ce42366b","","","0.71073","MoKα","","0.0755","0.0505","","","0.1138","0.1252","","","","","","1.023","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214162","22.9377","0.0004","11.6666","0.0002","23.2743","0.0003","90","","110.939","0.001","90","","5817.01","0.17","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 Co2 N4 O4 -","- C36 H24 Co2 N4 O4 -","- C288 H192 Co16 N32 O32 -","8","1","","Zhang, Xiao-min; Li, Jian-qiang; Liu, Shu-juan; Luo, Ming-biao; Xu, Wen-yuan; Luo, Feng","Modulation of experimental conditions towards generation of a heterometallic Na2Co4 cluster or a homometallic Co4 cluster and ligand formed in situ","CrystEngComm","2014","16","13","2570","","10.1039/c3ce42466a","","","0.71073","MoKα","","0.04","0.0292","","","0.0723","0.0791","","","","","","1.047","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214163","13.2745","0.0008","13.8673","0.0007","14.0374","0.0008","68.967","0.003","62.873","0.004","68.017","0.003","2076.4","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H68 Co4 N10 Na2 O10 -","- C98 H68 Co4 N10 Na2 O10 -","- C98 H68 Co4 N10 Na2 O10 -","1","0.5","","Zhang, Xiao-min; Li, Jian-qiang; Liu, Shu-juan; Luo, Ming-biao; Xu, Wen-yuan; Luo, Feng","Modulation of experimental conditions towards generation of a heterometallic Na2Co4 cluster or a homometallic Co4 cluster and ligand formed in situ","CrystEngComm","2014","16","13","2570","","10.1039/c3ce42466a","","","0.71073","MoKα","","0.0827","0.0441","","","0.0975","0.1171","","","","","","0.995","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214164","8.792","0.004","11.024","0.005","16.479","0.007","84.58","0.007","85.459","0.007","78.893","0.007","1557.2","1.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H74 Mn4 N4 O26 -","- C58 H72 Mn4 N4 O25 -","- C58 H72 Mn4 N4 O25 -","1","0.5","","Liu, Fuling; Zhang, Liangliang; Wang, Rongming; Sun, Jie; Yang, Jie; Chen, Zhen; Wang, Xingpo; Sun, Daofeng","Five MOFs with different topologies based on anthracene functionalized tetracarboxylic acid: syntheses, structures, and properties","CrystEngComm","2014","16","14","2917","","10.1039/c3ce42152j","","","0.71073","MoKα","","0.1019","0.0659","","","0.1601","0.1833","","","","","","1.029","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214165","11.08","0.003","16.583","0.004","16.6","0.004","68.533","0.005","89.208","0.004","89.167","0.004","2838.1","1.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H42 N0 Ni2 O22 -","- C34 H30 Ni2 O16 -","- C68 H60 Ni4 O32 -","2","1","","Liu, Fuling; Zhang, Liangliang; Wang, Rongming; Sun, Jie; Yang, Jie; Chen, Zhen; Wang, Xingpo; Sun, Daofeng","Five MOFs with different topologies based on anthracene functionalized tetracarboxylic acid: syntheses, structures, and properties","CrystEngComm","2014","16","14","2917","","10.1039/c3ce42152j","","","0.71073","MoKα","","0.0844","0.0555","","","0.1564","0.1662","","","","","","0.956","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214166","15.4676","0.0017","13.1962","0.0015","26.497","0.003","90","","98.729","0.002","90","","5345.8","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H66 Cd2 N4 O19 -","- C39 H35 Cd2 N O15 -","- C156 H140 Cd8 N4 O60 -","4","1","","Liu, Fuling; Zhang, Liangliang; Wang, Rongming; Sun, Jie; Yang, Jie; Chen, Zhen; Wang, Xingpo; Sun, Daofeng","Five MOFs with different topologies based on anthracene functionalized tetracarboxylic acid: syntheses, structures, and properties","CrystEngComm","2014","16","14","2917","","10.1039/c3ce42152j","","","0.71073","MoKα","","0.0551","0.0412","","","0.1128","0.1197","","","","","","1.033","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214167","10.168","0.003","18.035","0.005","27.054","0.008","90","","99.321","0.005","90","","4896","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H57 Co2 N3 O19 -","- C34 H27 Co2 O14 -","- C136 H108 Co8 O56 -","4","1","","Liu, Fuling; Zhang, Liangliang; Wang, Rongming; Sun, Jie; Yang, Jie; Chen, Zhen; Wang, Xingpo; Sun, Daofeng","Five MOFs with different topologies based on anthracene functionalized tetracarboxylic acid: syntheses, structures, and properties","CrystEngComm","2014","16","14","2917","","10.1039/c3ce42152j","","","0.71073","MoKα","","0.0659","0.0525","","","0.1531","0.1599","","","","","","1.069","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214168","10.107","0.004","18.338","0.007","27.084","0.011","90","","99.285","0.008","90","","4954","3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H56 N2 O20 Zn2 -","- C34 H26 O14 Zn2 -","- C136 H104 O56 Zn8 -","4","1","","Liu, Fuling; Zhang, Liangliang; Wang, Rongming; Sun, Jie; Yang, Jie; Chen, Zhen; Wang, Xingpo; Sun, Daofeng","Five MOFs with different topologies based on anthracene functionalized tetracarboxylic acid: syntheses, structures, and properties","CrystEngComm","2014","16","14","2917","","10.1039/c3ce42152j","","","0.71073","MoKα","","0.0896","0.0492","","","0.1216","0.1326","","","","","","0.86","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214169","8.047","0.002","8.016","0.002","12.733","0.004","90","","95.38","0.004","90","","817.7","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Ag N3 O4 -","- C6 H6 Ag N3 O4 -","- C24 H24 Ag4 N12 O16 -","4","1","","Zhao, Ya-Qin; Fang, Ming-Xiang; Xu, Zheng-Hu; Wang, Xing-Po; Wang, Su-Na; Han, Lu-Lu; Li, Xiao-Yu; Sun, Di","Construction of a crystalline Ag(i) coordination polymer based on a new ligand generated from unusual in situ aza-Michael addition reaction","CrystEngComm","2014","16","14","3015","","10.1039/c4ce00087k","","","0.71073","MoKα","","0.0285","0.026","","","0.0592","0.0604","","","","","","1.088","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214170","3.9061","0.0001","20.4757","0.0003","10.6097","0.0002","90","","98.436","0.001","90","","839.38","0.03","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 N4 S -","- C8 H6 N4 S -","- C32 H24 N16 S4 -","4","1","","Wan, Chong-Qing; Zhang, Ya; Sun, Xin-Zhan; Yan, Hao-Jie","A series of 2-D and 3-D silver(i) coordination polymers constructed from a new angular-shaped di-2-pyrazinylsulfide: role of anions in molecular construction","CrystEngComm","2014","16","14","2959","","10.1039/c3ce42404a","","","0.71073","MoKα","","0.0589","0.0405","","","0.1071","0.1178","","","","","","1.091","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214171","19.181","0.004","11.579","0.003","12.642","0.003","90","","90","","90","","2807.7","1.1","293","2","293","2","","","","","","","","7","I m m a","-I 2b 2","74","","","","- C16 H12 Ag3 Cl3 N8 O12 S2 -","- C16 H12 Ag3 Cl3 N8 O12 S2 -","- C64 H48 Ag12 Cl12 N32 O48 S8 -","4","0.25","","Wan, Chong-Qing; Zhang, Ya; Sun, Xin-Zhan; Yan, Hao-Jie","A series of 2-D and 3-D silver(i) coordination polymers constructed from a new angular-shaped di-2-pyrazinylsulfide: role of anions in molecular construction","CrystEngComm","2014","16","14","2959","","10.1039/c3ce42404a","","","0.71073","MoKα","","0.0676","0.0401","","","0.0929","0.1087","","","","","","1.05","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214172","22.2549","0.0004","9.4868","0.0002","15.7184","0.0003","90","","91.476","0.001","90","","3317.49","0.11","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19 H12 Ag3 F9 N8 O9 S5 -","- C19 H12 Ag3 F9 N8 O9 S5 -","- C76 H48 Ag12 F36 N32 O36 S20 -","4","0.5","","Wan, Chong-Qing; Zhang, Ya; Sun, Xin-Zhan; Yan, Hao-Jie","A series of 2-D and 3-D silver(i) coordination polymers constructed from a new angular-shaped di-2-pyrazinylsulfide: role of anions in molecular construction","CrystEngComm","2014","16","14","2959","","10.1039/c3ce42404a","","","0.71073","MoKα","","0.0396","0.0356","","","0.0964","0.0992","","","","","","1.063","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214173","11.135","0.005","12.38","0.006","14.607","0.007","84.662","0.012","89.537","0.011","67.261","0.01","1848.2","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H16 Ag3 F9 N8 O12 S5 -","- C19 H16 Ag3 F9 N8 O12 S5 -","- C38 H32 Ag6 F18 N16 O24 S10 -","2","1","","Wan, Chong-Qing; Zhang, Ya; Sun, Xin-Zhan; Yan, Hao-Jie","A series of 2-D and 3-D silver(i) coordination polymers constructed from a new angular-shaped di-2-pyrazinylsulfide: role of anions in molecular construction","CrystEngComm","2014","16","14","2959","","10.1039/c3ce42404a","","","0.71073","MoKα","","0.1144","0.0588","","","0.1317","0.1583","","","","","","1.019","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214174","8.9469","0.0002","23.6973","0.0006","7.3859","0.0002","90","","108.4","0.002","90","","1485.88","0.07","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C8 H8 Ag2 N6 O7 S -","- C8 H8 Ag2 N6 O7 S -","- C32 H32 Ag8 N24 O28 S4 -","4","1","","Wan, Chong-Qing; Zhang, Ya; Sun, Xin-Zhan; Yan, Hao-Jie","A series of 2-D and 3-D silver(i) coordination polymers constructed from a new angular-shaped di-2-pyrazinylsulfide: role of anions in molecular construction","CrystEngComm","2014","16","14","2959","","10.1039/c3ce42404a","","","0.71073","MoKα","","0.0325","0.028","","","0.061","0.064","","","","","","1.03","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214175","8.5705","0.0007","15.3195","0.0013","8.431","0.0006","90","","90","","90","","1106.95","0.15","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H6 Ag N5 O2 S -","- C8 H6 Ag N5 O2 S -","- C32 H24 Ag4 N20 O8 S4 -","4","0.5","","Wan, Chong-Qing; Zhang, Ya; Sun, Xin-Zhan; Yan, Hao-Jie","A series of 2-D and 3-D silver(i) coordination polymers constructed from a new angular-shaped di-2-pyrazinylsulfide: role of anions in molecular construction","CrystEngComm","2014","16","14","2959","","10.1039/c3ce42404a","","","0.71073","MoKα","","0.0263","0.0231","","","0.0564","0.0591","","","","","","1.051","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214176","18.4365","0.0017","10.2983","0.0009","15.905","0.003","90","","118.923","0.003","90","","2643.1","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H6 Ag2 N6 O4 S -","- C8 H6 Ag2 N6 O4 S -","- C64 H48 Ag16 N48 O32 S8 -","8","1","","Wan, Chong-Qing; Zhang, Ya; Sun, Xin-Zhan; Yan, Hao-Jie","A series of 2-D and 3-D silver(i) coordination polymers constructed from a new angular-shaped di-2-pyrazinylsulfide: role of anions in molecular construction","CrystEngComm","2014","16","14","2959","","10.1039/c3ce42404a","","","0.71073","MoKα","","0.0332","0.0306","","","0.0695","0.0711","","","","","","1.036","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214177","18.7675","0.0004","22.308","0.0004","13.9336","0.0005","90","","128.147","0.001","90","","4587.6","0.2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H6 Ag2 F10 N4 O4 S -","- C14 H6 Ag2 F10 N4 O4 S -","- C112 H48 Ag16 F80 N32 O32 S8 -","8","1","","Wan, Chong-Qing; Zhang, Ya; Sun, Xin-Zhan; Yan, Hao-Jie","A series of 2-D and 3-D silver(i) coordination polymers constructed from a new angular-shaped di-2-pyrazinylsulfide: role of anions in molecular construction","CrystEngComm","2014","16","14","2959","","10.1039/c3ce42404a","","","0.71073","MoKα","","0.1198","0.0574","","","0.1534","0.1868","","","","","","1.042","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214178","10.1484","0.0014","21.509","0.003","25.374","0.003","90","","99.561","0.002","90","","5461.7","1.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H26 Gd N3 O13 S2 -","- C21 H18 Gd N3 O13 S2 -","- C168 H144 Gd8 N24 O104 S16 -","8","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0651","0.0487","","","0.1428","0.1587","","","","","","1.039","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214179","20.199","0.004","18.625","0.003","13.918","0.003","90","","117.069","0.002","90","","4662.5","1.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H15 N3 Nd O9 S2 -","- C22 H13 N3 Nd O9 S2 -","- C176 H104 N24 Nd8 O72 S16 -","8","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.1163","0.0554","","","0.1062","0.1211","","","","","","0.998","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214180","20.1864","0.0016","18.5532","0.0015","13.8708","0.0011","90","","117.337","0.001","90","","4614.8","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H15 Eu N3 O9 S2 -","- C22 H13 Eu N3 O9 S2 -","- C176 H104 Eu8 N24 O72 S16 -","8","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0467","0.0353","","","0.101","0.1093","","","","","","1.001","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214181","20.084","0.004","18.534","0.004","13.831","0.004","90","","117.639","0.002","90","","4560.9","1.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H15 N3 O9 S2 Tb -","- C22 H15 N3 O9 S2 Tb -","- C176 H120 N24 O72 S16 Tb8 -","8","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.1069","0.0555","","","0.1259","0.1529","","","","","","1.008","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214182","20.01","0.003","18.516","0.002","13.7905","0.0018","90","","117.896","0.002","90","","4515.7","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H14 Er N3 O9 S2 -","- C22 H13 Er N3 O8.5 S2 -","- C176 H104 Er8 N24 O68 S16 -","8","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0961","0.0544","","","0.1156","0.1336","","","","","","1.091","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214183","19.952","0.007","18.5","0.006","13.756","0.005","90","","117.935","0.004","90","","4486","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H15 N3 O9 S2 Yb -","- C22 H15 N3 O9 S2 Yb -","- C176 H120 N24 O72 S16 Yb8 -","8","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0776","0.0473","","","0.1028","0.1197","","","","","","1.029","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214184","19.858","0.003","18.452","0.002","13.7432","0.0018","90","","118.078","0.002","90","","4443.1","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H15 Lu N3 O9 S2 -","- C22 H13 Lu N3 O9 S2 -","- C176 H104 Lu8 N24 O72 S16 -","8","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0797","0.0467","","","0.0949","0.1115","","","","","","1.015","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214185","8.9698","0.0006","21.7582","0.0015","13.4973","0.001","90","","92.164","0.001","90","","2632.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N3 O13 S2 Yb -","- C22 H23 N3 O13 S2 Yb -","- C88 H92 N12 O52 S8 Yb4 -","4","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0375","0.0302","","","0.0757","0.0792","","","","","","1.036","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214186","8.983","0.002","21.722","0.005","13.532","0.003","90","","92.122","0.003","90","","2638.7","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Lu N3 O13 S2 -","- C22 H23 Lu N3 O13 S2 -","- C88 H92 Lu4 N12 O52 S8 -","4","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0878","0.0528","","","0.1211","0.1391","","","","","","0.982","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214187","19.408","0.006","13.692","0.004","23.83","0.007","90","","90.937","0.004","90","","6332","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C1.2 H1.4 N0.14 O0.72 S0.1 Yb0.05 -","- C1.20482 H0.915663 N0.144578 O0.722892 S0.0963855 Yb0.0481928 -","- C200 H152 N24 O120 S16 Yb8 -","166","20.75","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0752","0.0473","","","0.1113","0.1245","","","","","","1.094","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214188","19.4274","0.0014","13.6955","0.001","23.855","0.0017","90","","91.004","0.001","90","","6346.1","0.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H29 Lu N3 O15 S2 -","- C25 H19 Lu N3 O15 S2 -","- C200 H152 Lu8 N24 O120 S16 -","8","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0557","0.0376","","","0.0919","0.1017","","","","","","1.026","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214189","10.744","0.003","11.964","0.003","12.004","0.006","109.647","0.004","103.175","0.004","109.375","0.003","1266.9","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H19 Dy N3 O10 S2 -","- C25 H19 Dy N3 O10 S2 -","- C50 H38 Dy2 N6 O20 S4 -","2","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0552","0.0459","","","0.1136","0.1222","","","","","","1.009","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214190","10.7213","0.001","11.9418","0.0011","11.9667","0.0011","109.74","0.001","103.138","0.001","109.217","0.001","1259.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H19 Er N3 O10 S2 -","- C25 H19 Er N3 O10 S2 -","- C50 H38 Er2 N6 O20 S4 -","2","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0409","0.0346","","","0.0786","0.0824","","","","","","1.049","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214191","11.0387","0.0002","11.0387","0.0002","6.6318","0.0005","90","","90","","90","","808.1","0.06","293","2","293","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C12 H12 B Br Cd N8 -","- C12 H12 B Br Cd N8 -","- C24 H24 B2 Br2 Cd2 N16 -","2","0.25","","Yang, E.; Wang, Lin; Zhang, Jian","A luminescent neutral cadmium(ii)‒boron(iii)‒imidazolate framework with sql net","CrystEngComm","2014","16","14","2889","","10.1039/c3ce42604a","","","0.71073","MoKα","","0.0725","0.0626","","","0.1614","0.1706","","","","","","1.049","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214219","8.2063","0.0005","8.2062","0.0005","9.3823","0.001","90","","90","","90","","631.83","0.09","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C4 H6 Mn O5 -","- C4 H6 Mn O5 -","- C16 H24 Mn4 O20 -","4","1","","Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Vallejo, Julia; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina","Syntheses, crystal structures and magnetic properties of five new manganese(ii) complexes: influence of the conformation of different alkyl/aryl substituted malonate ligands on the crystal packing","CrystEngComm","2014","16","13","2766","","10.1039/c3ce42086h","","x-ray","0.71073","MoKα","","0.0312","0.0244","","","0.0438","0.0456","","","","","","1.108","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214220","13.5402","0.0004","13.5402","0.0004","17.444","0.0009","90","","90","","90","","3198.1","0.2","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C5 H8 Mn O5 -","- C5 H8 Mn O5 -","- C80 H128 Mn16 O80 -","16","1","","Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Vallejo, Julia; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina","Syntheses, crystal structures and magnetic properties of five new manganese(ii) complexes: influence of the conformation of different alkyl/aryl substituted malonate ligands on the crystal packing","CrystEngComm","2014","16","13","2766","","10.1039/c3ce42086h","","x-ray","1.54184","CuKα","","0.0271","0.0255","","","0.0658","0.067","","","","","","1.083","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214221","24.711","0.002","6.8871","0.0004","10.9942","0.0006","90","","90","","90","","1871.1","0.2","293","2","293","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- C7 H12 Mn O5 -","- C7 H12 Mn O5 -","- C56 H96 Mn8 O40 -","8","","","Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Vallejo, Julia; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina","Syntheses, crystal structures and magnetic properties of five new manganese(ii) complexes: influence of the conformation of different alkyl/aryl substituted malonate ligands on the crystal packing","CrystEngComm","2014","16","13","2766","","10.1039/c3ce42086h","","x-ray","0.71073","MoKα","","0.0435","0.0349","","","0.0806","0.0867","","","","","","1.091","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214222","7.9692","0.0009","9.1132","0.0008","12.9102","0.0011","90","","102.204","0.007","90","","916.41","0.15","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C7 H12 Mn O5 -","- C7 H12 Mn O5 -","- C28 H48 Mn4 O20 -","4","1","","Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Vallejo, Julia; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina","Syntheses, crystal structures and magnetic properties of five new manganese(ii) complexes: influence of the conformation of different alkyl/aryl substituted malonate ligands on the crystal packing","CrystEngComm","2014","16","13","2766","","10.1039/c3ce42086h","","x-ray","0.71073","MoKα","","0.0961","0.0473","","","0.0757","0.0867","","","","","","1.019","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214223","9.2037","0.0003","7.9073","0.0002","29.7366","0.0013","90","","90","","90","","2164.12","0.13","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H10 Mn O5 -","- C10 H10 Mn O5 -","- C80 H80 Mn8 O40 -","8","1","","Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Vallejo, Julia; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina","Syntheses, crystal structures and magnetic properties of five new manganese(ii) complexes: influence of the conformation of different alkyl/aryl substituted malonate ligands on the crystal packing","CrystEngComm","2014","16","13","2766","","10.1039/c3ce42086h","","x-ray","1.54184","CuKα","","0.05","0.0321","","","0.065","0.0718","","","","","","1.014","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214224","22.0703","0.0008","22.0703","0.0008","12.6143","0.0009","90","","90","","90","","6144.4","0.5","293","2","293","2","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","","","","- Ba18 F18 In8 S21 -","- Ba18 F18 In8 S21 -","- Ba72 F72 In32 S84 -","4","0.25","","Luo, Zhong-Zhen; Lin, Chen-Sheng; Zhang, Wei-Long; Zhang, Hao; He, Zhang-Zhen; Cheng, Wen-Dan","Ba18F18In8S21 and Ba9F10In4S10: new kind of mixed anion compounds with the novel low-dimensional structure","CrystEngComm","2014","16","13","2788","","10.1039/c3ce41954a","","","0.71073","MoKα","","0.0474","0.0443","","","0.1426","0.1454","","","","","","1.166","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214225","12.5686","0.0008","19.2822","0.0012","12.5835","0.0009","90","","90","","90","","3049.6","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba9 F10 In4 S10 -","- Ba9 F10 In4 S10 -","- Ba36 F40 In16 S40 -","4","0.5","","Luo, Zhong-Zhen; Lin, Chen-Sheng; Zhang, Wei-Long; Zhang, Hao; He, Zhang-Zhen; Cheng, Wen-Dan","Ba18F18In8S21 and Ba9F10In4S10: new kind of mixed anion compounds with the novel low-dimensional structure","CrystEngComm","2014","16","13","2788","","10.1039/c3ce41954a","","","0.71073","MoKα","","0.0586","0.0523","","","0.1418","0.1477","","","","","","1.049","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214226","7.6058","0.0006","10.2154","0.0007","12.2851","0.0012","102.799","0.005","97.934","0.005","98.974","0.005","904.52","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 N14 O10 Zn5 -","- C36 H24 N14 O10 Zn5 -","- C36 H24 N14 O10 Zn5 -","1","0.5","","Wang, Yan-Ning; Li, Guang-Hua; Yang, Qing-Feng; Yu, Jie-Hui; Xu, Ji-Qing","New Zn2+ coordination polymers with mixed triazolate/tetrazolate and acylhydrazidate as linkers","CrystEngComm","2014","16","13","2692","","10.1039/c3ce42426j","","","0.71073","MoKα","","0.0395","0.0373","","","0.1299","0.131","","","","","","1.183","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214227","13.7823","0.0007","9.7678","0.0007","20.5058","0.0017","90","","96.553","0.004","90","","2742.5","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 N14 O6 Zn3 -","- C20 H18 N14 O6 Zn3 -","- C80 H72 N56 O24 Zn12 -","4","0.5","","Wang, Yan-Ning; Li, Guang-Hua; Yang, Qing-Feng; Yu, Jie-Hui; Xu, Ji-Qing","New Zn2+ coordination polymers with mixed triazolate/tetrazolate and acylhydrazidate as linkers","CrystEngComm","2014","16","13","2692","","10.1039/c3ce42426j","","","0.71073","MoKα","","0.0332","0.0297","","","0.0793","0.0816","","","","","","1.05","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214228","12.354","0.003","12.473","0.003","10.449","0.002","90","","116.92","0.03","90","","1435.6","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 N12 O2 Zn2 -","- C10 H8 N12 O2 Zn2 -","- C40 H32 N48 O8 Zn8 -","4","0.5","","Wang, Yan-Ning; Li, Guang-Hua; Yang, Qing-Feng; Yu, Jie-Hui; Xu, Ji-Qing","New Zn2+ coordination polymers with mixed triazolate/tetrazolate and acylhydrazidate as linkers","CrystEngComm","2014","16","13","2692","","10.1039/c3ce42426j","","","0.71073","MoKα","","0.0227","0.0209","","","0.0534","0.0542","","","","","","1.07","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214229","18.923","0.004","11.121","0.002","15.759","0.003","90","","102.62","0.03","90","","3236.2","1.2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C22 H18 N16 O10 Zn5 -","- C22 H18 N16 O10 Zn5 -","- C88 H72 N64 O40 Zn20 -","4","0.5","","Wang, Yan-Ning; Li, Guang-Hua; Yang, Qing-Feng; Yu, Jie-Hui; Xu, Ji-Qing","New Zn2+ coordination polymers with mixed triazolate/tetrazolate and acylhydrazidate as linkers","CrystEngComm","2014","16","13","2692","","10.1039/c3ce42426j","","","0.71073","MoKα","","0.0505","0.0431","","","0.107","0.1105","","","","","","1.077","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214230","9.9688","0.0005","12.4158","0.0006","17.4099","0.001","86.1612","0.0015","79.7348","0.0018","80.1653","0.0015","2087.7","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H36 I4 O4 S4 -","- C36 H36 I4 O4 S4 -","- C72 H72 I8 O8 S8 -","2","1","","Yamada, Manabu; Kanazawa, Ryo; Hamada, Fumio","Halogen‒halogen interactions and halogen bonding in thiacalixarene systems","CrystEngComm","2014","16","13","2605","","10.1039/c3ce42535e","","","0.71075","MoKα","","","0.0287","","","","0.0788","","","","","","1.097","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214231","18.4313","0.0009","14.2656","0.0005","17.855","0.0006","90","","92.4043","0.001","90","","4690.5","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 I4 O5 S4 -","- C42 H48 I4 O5 S4 -","- C168 H192 I16 O20 S16 -","4","1","","Yamada, Manabu; Kanazawa, Ryo; Hamada, Fumio","Halogen‒halogen interactions and halogen bonding in thiacalixarene systems","CrystEngComm","2014","16","13","2605","","10.1039/c3ce42535e","","","0.71075","MoKα","","","0.0351","","","","0.086","","","","","","1.036","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214232","6.4633","0.0015","17.072","0.004","23.816","0.006","90","","90.602","0.003","90","","2627.7","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Eu N3 O9 -","- C23 H28 Eu N3 O9 -","- C92 H112 Eu4 N12 O36 -","4","1","","Liu, Xiaolan; Wang, Xin; Gao, Ting; Xu, Yan; Shen, Xuan; Zhu, Dunru","Three 3D lanthanide‒organic frameworks with sra topology: syntheses, structures, luminescence and magnetic properties","CrystEngComm","2014","16","13","2779","","10.1039/c3ce42553c","","","0.71073","MoKα","","0.0721","0.052","","","0.1269","0.1345","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214233","6.4399","0.0007","17.023","0.002","23.833","0.003","90","","90.792","0.002","90","","2612.5","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Gd N3 O9 -","- C23 H28 Gd N3 O9 -","- C92 H112 Gd4 N12 O36 -","4","1","","Liu, Xiaolan; Wang, Xin; Gao, Ting; Xu, Yan; Shen, Xuan; Zhu, Dunru","Three 3D lanthanide‒organic frameworks with sra topology: syntheses, structures, luminescence and magnetic properties","CrystEngComm","2014","16","13","2779","","10.1039/c3ce42553c","","","0.71073","MoKα","","0.0925","0.0564","","","0.1395","0.1526","","","","","","1.012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214234","6.3462","0.0011","16.58","0.003","24.018","0.004","90","","90.683","0.002","90","","2527","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Dy N3 O9 -","- C23 H28 Dy N3 O9 -","- C92 H112 Dy4 N12 O36 -","4","1","","Liu, Xiaolan; Wang, Xin; Gao, Ting; Xu, Yan; Shen, Xuan; Zhu, Dunru","Three 3D lanthanide‒organic frameworks with sra topology: syntheses, structures, luminescence and magnetic properties","CrystEngComm","2014","16","13","2779","","10.1039/c3ce42553c","","","0.71073","MoKα","","0.0714","0.0599","","","0.1512","0.1566","","","","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214235","11.2908","0.0003","12.2293","0.0003","14.9933","0.0004","90","","91.389","0.002","90","","2069.65","0.09","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N2 O4 -","- C24 H26 N2 O4 -","- C96 H104 N8 O16 -","4","1","","Prado, Livia Deris; Rocha, Helvécio Vinícius Antunes; Resende, Jackson Antônio Lamounier Camargos; Ferreira, Glaucio Braga; de Figuereido Teixeira, Ana Maria Rangel","An insight into carvedilol solid forms: effect of supramolecular interactions on the dissolution profiles","CrystEngComm","2014","16","15","3168","","10.1039/c3ce42403k","","x-ray","0.71073","MoKα","","0.0502","0.0416","","","0.1022","0.1086","","","","","","1.052","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214236","13.477","0.003","16.515","0.003","19.139","0.004","90","","94.16","0.03","90","","4248.6","1.5","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H54 N4 O9 -","- C48 H54 N4 O9 -","- C192 H216 N16 O36 -","4","1","","Prado, Livia Deris; Rocha, Helvécio Vinícius Antunes; Resende, Jackson Antônio Lamounier Camargos; Ferreira, Glaucio Braga; de Figuereido Teixeira, Ana Maria Rangel","An insight into carvedilol solid forms: effect of supramolecular interactions on the dissolution profiles","CrystEngComm","2014","16","15","3168","","10.1039/c3ce42403k","","","0.71073","MoKα","","0.05","0.0399","","","0.1019","0.1066","","","","","","1.048","","","","has coordinates,has disorder","301864","2025-08-22","15:14:33",""
"7214237","37.1672","0.0011","3.83724","0.0001","30.9227","0.0008","90","","130.277","0.0013","90","","3364.66","0.17","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 N2 O2 S2 -","- C21 H14 N2 O2 S2 -","- C168 H112 N16 O16 S16 -","8","1","","Sakai, Ken-ichi; Kawamura, Hiroshi; Kobayashi, Noriyuki; Ishikawa, Takaaki; Ikeda, Chiori; Kikuchi, Takemitsu; Akutagawa, Tomoyuki","Highly efficient solid-state red fluorophores using ESIPT: crystal packing and fluorescence properties of alkoxy-substituted dibenzothiazolylphenols","CrystEngComm","2014","16","15","3180","","10.1039/c3ce42109k","","","1.54187","CuKα","","","0.107","","","","0.2371","","","","","","1.039","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214238","11.7301","0.0002","22.2883","0.0004","7.47946","0.0001","90","","100.438","","90","","1923.1","0.05","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 O2 S2 -","- C23 H18 N2 O2 S2 -","- C92 H72 N8 O8 S8 -","4","1","","Sakai, Ken-ichi; Kawamura, Hiroshi; Kobayashi, Noriyuki; Ishikawa, Takaaki; Ikeda, Chiori; Kikuchi, Takemitsu; Akutagawa, Tomoyuki","Highly efficient solid-state red fluorophores using ESIPT: crystal packing and fluorescence properties of alkoxy-substituted dibenzothiazolylphenols","CrystEngComm","2014","16","15","3180","","10.1039/c3ce42109k","","","1.54187","CuKα","","","0.0731","","","","0.1563","","","","","","1.094","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214239","29.401","0.003","13.3519","0.0011","15.8465","0.0013","90","","90.878","0.002","90","","6220","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H44 Cd3 N8 O12 -","- C46 H44 Cd3 N8 O12 -","- C184 H176 Cd12 N32 O48 -","4","0.5","","Shi, Jing-Tao; Yue, Ke-Fen; Liu, Bo; Zhou, Chun-sheng; Liu, Yong-Liang; Fang, Zhi-Guo; Wang, Yao-Yu","Two porous metal‒organic frameworks (MOFs) based on mixed ligands: synthesis, structure and selective gas adsorption","CrystEngComm","2014","16","15","3097","","10.1039/c3ce41557k","","","0.71073","MoKα","","0.0795","0.0642","","","0.1888","0.2003","","","","","","1.048","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214240","13.9345","0.0014","26.096","0.003","19.2265","0.0019","90","","90","","90","","6991.4","1.3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C53 H40 Co3 N4 O12 -","- C53 H40 Co3 N4 O12 -","- C212 H160 Co12 N16 O48 -","4","0.5","","Shi, Jing-Tao; Yue, Ke-Fen; Liu, Bo; Zhou, Chun-sheng; Liu, Yong-Liang; Fang, Zhi-Guo; Wang, Yao-Yu","Two porous metal‒organic frameworks (MOFs) based on mixed ligands: synthesis, structure and selective gas adsorption","CrystEngComm","2014","16","15","3097","","10.1039/c3ce41557k","","","0.71073","MoKα","","0.118","0.0752","","","0.216","0.2365","","","","","","0.962","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214241","20.897","0.007","16.915","0.003","21.778","0.005","90","","106.437","0.011","90","","7383","3","108","2","108","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C80.64 H69.28 Au2 Cl5.28 N2 O8 P4 -","- C80.642 H69.284 Au2 Cl5.284 N2 O8 P4 -","- C322.568 H277.136 Au8 Cl21.136 N8 O32 P16 -","4","0.5","","Jobbágy, Csaba; Molnár, Miklós; Baranyai, Péter; Hamza, Andrea; Pálinkás, Gábor; Deák, Andrea","A stimuli-responsive double-stranded digold(i) helicate","CrystEngComm","2014","16","15","3192","","10.1039/c3ce42474j","","","0.71073","MoKα","","0.043","0.0384","","","0.097","0.0998","","","","","","1.036","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214242","28.247","0.005","18.297","0.004","18.992","0.004","90","","121.566","0.008","90","","8363","3","113","2","113","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82.69 H73.38 Au2 Cl9.38 N2 O8 P4 -","- C82.692 H73.384 Au2 Cl9.384 N2 O8 P4 -","- C330.768 H293.536 Au8 Cl37.536 N8 O32 P16 -","4","0.5","","Jobbágy, Csaba; Molnár, Miklós; Baranyai, Péter; Hamza, Andrea; Pálinkás, Gábor; Deák, Andrea","A stimuli-responsive double-stranded digold(i) helicate","CrystEngComm","2014","16","15","3192","","10.1039/c3ce42474j","","","0.71073","MoKα","","0.0702","0.0403","","","0.0617","0.079","","","","","","0.718","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214243","11.7728","0.0001","33.8466","0.0003","18.4668","0.0002","90","","96.231","0.001","90","","7314.98","0.12","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C79.9 H68.97 Au2 Cl3.8 N2 O8.59 P4 -","- C79.9 H68.974 Au2 Cl3.8 N2 O8.587 P4 -","- C319.6 H275.896 Au8 Cl15.2 N8 O34.348 P16 -","4","1","","Jobbágy, Csaba; Molnár, Miklós; Baranyai, Péter; Hamza, Andrea; Pálinkás, Gábor; Deák, Andrea","A stimuli-responsive double-stranded digold(i) helicate","CrystEngComm","2014","16","15","3192","","10.1039/c3ce42474j","","","0.71073","MoKα","","0.0433","0.0375","","","0.0941","0.0971","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214244","21.374","0.005","16.82","0.005","22.25","0.005","90","","107.595","0.005","90","","7625","3","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C80.26 H68.53 Au2 Cl4.53 N2 O8 P4 -","- C80.264 H68.528 Au2 Cl4.528 N2 O8 P4 -","- C321.056 H274.112 Au8 Cl18.112 N8 O32 P16 -","4","0.5","","Jobbágy, Csaba; Molnár, Miklós; Baranyai, Péter; Hamza, Andrea; Pálinkás, Gábor; Deák, Andrea","A stimuli-responsive double-stranded digold(i) helicate","CrystEngComm","2014","16","15","3192","","10.1039/c3ce42474j","","","0.71073","MoKα","","0.0539","0.0393","","","0.0603","0.0687","","","","","","0.872","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214245","23.423","0.004","11.2363","0.0019","22.563","0.004","90","","90","","90","","5938.3","1.8","298","2","298","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C27 H29.5 N2 Ni O9.75 -","- C27 H28.5 N2 Ni O9.75 -","- C216 H228 N16 Ni8 O78 -","8","1","","Liu, Jian-Qiang; Wu, Jian; Wang, Yao-Yu; Lin, Jian-Tao; Sakiyama, Hiroshi","Different interpenetrated coordination polymers based on flexible dicarboxylate ligands: topological diversity and magnetism","CrystEngComm","2014","16","15","3103","","10.1039/c3ce42338g","","","0.71073","MoKα","","0.1228","0.0589","","","0.1516","0.1673","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214246","14.079","0.005","14.669","0.005","19.559","0.006","108.878","0.005","92.031","0.007","116.314","0.005","3349","2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H56.58 Co2 N12 O14.29 S3 -","- C70 H52 Co2 N12 O14.29 S3 -","- C140 H104 Co4 N24 O28.58 S6 -","2","1","","Liu, Jian-Qiang; Wu, Jian; Wang, Yao-Yu; Lin, Jian-Tao; Sakiyama, Hiroshi","Different interpenetrated coordination polymers based on flexible dicarboxylate ligands: topological diversity and magnetism","CrystEngComm","2014","16","15","3103","","10.1039/c3ce42338g","","","0.71073","MoKα","","0.2876","0.0594","","","0.0645","0.0823","","","","","","0.64","","","","has coordinates,has disorder","180473","2020-10-21","18:00:00",""
"7214247","9.6092","0.0009","10.695","0.0011","13.436","0.0014","70.763","0.002","87.595","0.002","72.381","0.002","1240","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 Co N2 O8 -","- C27 H26 Co N2 O8 -","- C54 H52 Co2 N4 O16 -","2","1","","Liu, Jian-Qiang; Wu, Jian; Wang, Yao-Yu; Lin, Jian-Tao; Sakiyama, Hiroshi","Different interpenetrated coordination polymers based on flexible dicarboxylate ligands: topological diversity and magnetism","CrystEngComm","2014","16","15","3103","","10.1039/c3ce42338g","","","0.71073","MoKα","","0.0702","0.0447","","","0.1104","0.1165","","","","","","0.956","","","","has coordinates,has disorder","180473","2020-10-21","18:00:00",""
"7214248","13.0721","0.0008","8.1857","0.0004","21.867","0.003","90","","107.835","0.008","90","","2227.4","0.4","119.6","0.9","119.6","0.9","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H44 Co2 N2 O12 -","- C48 H44 Co2 N2 O12 -","- C96 H88 Co4 N4 O24 -","2","0.5","","Liu, Jian-Qiang; Wu, Jian; Wang, Yao-Yu; Lin, Jian-Tao; Sakiyama, Hiroshi","Different interpenetrated coordination polymers based on flexible dicarboxylate ligands: topological diversity and magnetism","CrystEngComm","2014","16","15","3103","","10.1039/c3ce42338g","","","0.71073","MoKα","","0.1537","0.0747","","","0.1255","0.1658","","","","","","1.032","","","","has coordinates,has disorder","180473","2020-10-21","18:00:00",""
"7214249","13.5187","0.0007","7.2436","0.0004","26.014","0.003","90","","90","","90","","2547.4","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H10 N2 O4 -","- C15 H10 N2 O4 -","- C120 H80 N16 O32 -","8","1","","Wu, Jing-Yun; Yuan, Pin-Ting; Hsiao, Cheng-Chu","Positional isomerism of unsymmetrical semirigid ligands toward the construction of discrete and infinite coordination architectures of zinc(ii) and cadmium(ii) complexes","CrystEngComm","2014","16","15","3128","","10.1039/c3ce42398k","","","0.71073","MoKα","","0.1201","0.0779","","","0.1443","0.1613","","","","","","1.091","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214250","22.3598","0.0007","15.1429","0.0004","23.0395","0.0007","90","","110.657","0.004","90","","7299.5","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32.5 H24.5 N4 O9.25 Zn -","- C32 H22 N4 O8.5 Zn -","- C256 H176 N32 O68 Zn8 -","8","1","","Wu, Jing-Yun; Yuan, Pin-Ting; Hsiao, Cheng-Chu","Positional isomerism of unsymmetrical semirigid ligands toward the construction of discrete and infinite coordination architectures of zinc(ii) and cadmium(ii) complexes","CrystEngComm","2014","16","15","3128","","10.1039/c3ce42398k","","","0.71073","MoKα","","0.0744","0.0578","","","0.1737","0.1867","","","","","","1.072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214251","9.151","0.0003","12.4798","0.0004","12.9559","0.0003","107.884","0.002","90.393","0.002","95.349","0.002","1400.99","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H38 Cl2 N8 O16 Zn2 -","- C60 H38 Cl2 N8 O16 Zn2 -","- C60 H38 Cl2 N8 O16 Zn2 -","1","0.5","","Wu, Jing-Yun; Yuan, Pin-Ting; Hsiao, Cheng-Chu","Positional isomerism of unsymmetrical semirigid ligands toward the construction of discrete and infinite coordination architectures of zinc(ii) and cadmium(ii) complexes","CrystEngComm","2014","16","15","3128","","10.1039/c3ce42398k","","","0.71073","MoKα","","0.0673","0.0426","","","0.1003","0.1332","","","","","","1.074","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214252","19.2567","0.0015","18.6939","0.0015","7.902","0.0006","90","","98.917","0.003","90","","2810.2","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H19 N4 O8.5 Zn -","- C30 H18 N4 O8.5 Zn -","- C120 H72 N16 O34 Zn4 -","4","0.5","","Wu, Jing-Yun; Yuan, Pin-Ting; Hsiao, Cheng-Chu","Positional isomerism of unsymmetrical semirigid ligands toward the construction of discrete and infinite coordination architectures of zinc(ii) and cadmium(ii) complexes","CrystEngComm","2014","16","15","3128","","10.1039/c3ce42398k","","","0.71073","MoKα","","0.0523","0.046","","","0.1316","0.1369","","","","","","1.186","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214253","15.146","0.003","13.695","0.003","6.9265","0.0014","90","","91.28","0.03","90","","1436.4","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 Cd Cl N2 O4 -","- C15 H9 Cd Cl N2 O4 -","- C60 H36 Cd4 Cl4 N8 O16 -","4","1","","Wu, Jing-Yun; Yuan, Pin-Ting; Hsiao, Cheng-Chu","Positional isomerism of unsymmetrical semirigid ligands toward the construction of discrete and infinite coordination architectures of zinc(ii) and cadmium(ii) complexes","CrystEngComm","2014","16","15","3128","","10.1039/c3ce42398k","","","0.71073","MoKα","","0.076","0.0621","","","0.1969","0.2167","","","","","","1.182","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214254","6.7987","0.0008","24.5045","0.0019","8.2871","0.001","90","","91.514","0.011","90","","1380.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 Cd N4 O10 -","- C30 H22 Cd N4 O10 -","- C60 H44 Cd2 N8 O20 -","2","0.5","","Wu, Jing-Yun; Yuan, Pin-Ting; Hsiao, Cheng-Chu","Positional isomerism of unsymmetrical semirigid ligands toward the construction of discrete and infinite coordination architectures of zinc(ii) and cadmium(ii) complexes","CrystEngComm","2014","16","15","3128","","10.1039/c3ce42398k","","","0.71073","MoKα","","0.0734","0.0595","","","0.0942","0.098","","","","","","1.33","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214255","3.694","0.004","8.184","0.009","23.62","0.03","90","","94.49","","90","","711.9","1.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cd Cl2 N10 O0 -","- C10 H10 Cd Cl2 N10 -","- C20 H20 Cd2 Cl4 N20 -","2","0.5","","Song, Yuna; Yin, Xinbo; Tu, Binbin; Pang, Qingqing; Li, Haiwei; Ren, Xiaoqian; Wang, Bo; Li, Qiaowei","Metal‒organic frameworks constructed from mixed infinite inorganic units and adenine","CrystEngComm","2014","16","15","3082","","10.1039/c3ce42556h","","","0.71073","MoKα","","0.2346","0.1511","","","0.4242","0.4467","","","","","","1.057","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214256","9.156","0.0012","12.1449","0.0016","14.1202","0.0019","90","","95.271","0.002","90","","1563.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Cd3 N10 O10 -","- C22 H32 Cd3 N10 O10 -","- C44 H64 Cd6 N20 O20 -","2","0.5","","Song, Yuna; Yin, Xinbo; Tu, Binbin; Pang, Qingqing; Li, Haiwei; Ren, Xiaoqian; Wang, Bo; Li, Qiaowei","Metal‒organic frameworks constructed from mixed infinite inorganic units and adenine","CrystEngComm","2014","16","15","3082","","10.1039/c3ce42556h","","","0.71073","MoKα","","0.0467","0.0294","","","0.0726","0.0817","","","","","","0.487","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214257","14.857","0.005","23.615","0.009","3.7317","0.0013","90","","90","","90","","1309.3","0.8","296","2","296","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C10 H8 Cd4 Cl7 N10 -","- C10 H8 Cd4 Cl7 N10 -","- C20 H16 Cd8 Cl14 N20 -","2","0.25","","Song, Yuna; Yin, Xinbo; Tu, Binbin; Pang, Qingqing; Li, Haiwei; Ren, Xiaoqian; Wang, Bo; Li, Qiaowei","Metal‒organic frameworks constructed from mixed infinite inorganic units and adenine","CrystEngComm","2014","16","15","3082","","10.1039/c3ce42556h","","","0.71073","MoKα","","0.1518","0.0918","","","0.2457","0.2693","","","","","","0.854","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214258","13.4907","0.0014","13.505","0.0014","13.7924","0.0014","102.084","0.002","97.561","0.002","116.001","0.002","2136","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H76 N20 Ni3 O18 -","- C90 H76 N20 Ni3 O18 -","- C90 H76 N20 Ni3 O18 -","1","0.5","","Zhang, Xiutang; Fan, Liming; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and magnetic properties of five coordination polymers constructed from biphenyl-3,4′,5-tricarboxylic acid and (bis)imidazole linkers","CrystEngComm","2014","16","15","3203","","10.1039/c3ce42565g","","","0.71073","MoKα","","0.0582","0.0464","","","0.1283","0.1381","","","","","","1.003","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214259","12.337","0.002","11.051","0.002","21.819","0.004","90","","100.761","0.004","90","","2922.4","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 Co2 N4 O8 -","- C29 H24 Co2 N4 O8 -","- C116 H96 Co8 N16 O32 -","4","1","","Zhang, Xiutang; Fan, Liming; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and magnetic properties of five coordination polymers constructed from biphenyl-3,4′,5-tricarboxylic acid and (bis)imidazole linkers","CrystEngComm","2014","16","15","3203","","10.1039/c3ce42565g","","","0.71073","MoKα","","0.0811","0.047","","","0.0971","0.1138","","","","","","1.001","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214260","8.9151","0.001","12.3303","0.0013","13.3052","0.0014","108.564","0.002","107.76","0.002","99.002","0.002","1267.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 N4 O7 Zn -","- C29 H22 N4 O7 Zn -","- C58 H44 N8 O14 Zn2 -","2","1","","Zhang, Xiutang; Fan, Liming; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and magnetic properties of five coordination polymers constructed from biphenyl-3,4′,5-tricarboxylic acid and (bis)imidazole linkers","CrystEngComm","2014","16","15","3203","","10.1039/c3ce42565g","","","0.71073","MoKα","","0.0574","0.045","","","0.1228","0.1378","","","","","","0.997","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214261","11.7332","0.0004","15.2259","0.0006","16.1433","0.0006","90","","102.497","0.001","90","","2815.65","0.18","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C67 H49 Co2 N8 O14 -","- C67 H49 Co2 N8 O14 -","- C134 H98 Co4 N16 O28 -","2","1","","Zhang, Xiutang; Fan, Liming; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and magnetic properties of five coordination polymers constructed from biphenyl-3,4′,5-tricarboxylic acid and (bis)imidazole linkers","CrystEngComm","2014","16","15","3203","","10.1039/c3ce42565g","","","0.71073","MoKα","","0.0519","0.0452","","","0.1183","0.1237","","","","","","1.002","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214262","12.15","0.003","13.422","0.003","17.825","0.004","77.205","0.004","70.985","0.004","83.344","0.004","2677","1.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H88 Mn5 N20 O22 S2 -","- C120 H88 Mn5 N20 O22 S2 -","- C120 H88 Mn5 N20 O22 S2 -","1","0.5","","Zhang, Xiutang; Fan, Liming; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and magnetic properties of five coordination polymers constructed from biphenyl-3,4′,5-tricarboxylic acid and (bis)imidazole linkers","CrystEngComm","2014","16","15","3203","","10.1039/c3ce42565g","","","0.71073","MoKα","","0.1185","0.069","","","0.1102","0.1581","","","","","","1","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214263","38.1168","0.0009","38.1168","0.0009","11.6852","0.0003","90","","90","","120","","14702.8","0.6","123","2","123","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C171 H154 Br12 Cl12 N18 O13 Zn6 -","- C171 H137.94 Br12 Cl12.06 N18 O12.96 Zn6 -","- C513 H413.82 Br36 Cl36.18 N54 O38.88 Zn18 -","3","0.166667","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.","Metallohexacycles containing 4′-aryl-4,2′:6′,4′′-terpyridines: conformational preferences and fullerene capture","CrystEngComm","2014","16","3","328","","10.1039/c3ce42012d","","","0.71073","MoKα","","0.0454","0.0333","","","0.0902","0.102","","","","","","1.115","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214264","38.975","0.002","38.975","0.002","11.4827","0.0008","90","","90","","120","","15105.9","1.5","123","2","123","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C189 H159 Br12 Cl9 N18 O15 Zn6 -","- C189 H129 Br12 Cl9 N18 O15 Zn6 -","- C567 H387 Br36 Cl27 N54 O45 Zn18 -","3","0.166667","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.","Metallohexacycles containing 4′-aryl-4,2′:6′,4′′-terpyridines: conformational preferences and fullerene capture","CrystEngComm","2014","16","3","328","","10.1039/c3ce42012d","","","0.71073","MoKα","","0.0703","0.0425","","","0.1267","0.1717","","","","","","1.111","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214265","38.4322","0.0016","38.4322","0.0016","22.545","0.001","90","","90","","120","","28838","2","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C438 H308 Cl24 N36 O22 Zn12 -","- C437.94 H275.76 Cl24 N36 O21.9 Zn12 -","- C1313.82 H827.28 Cl72 N108 O65.7 Zn36 -","3","0.166667","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.","Metallohexacycles containing 4′-aryl-4,2′:6′,4′′-terpyridines: conformational preferences and fullerene capture","CrystEngComm","2014","16","3","328","","10.1039/c3ce42012d","","","0.71073","MoKα","","0.086","0.0638","","","0.1735","0.2072","","","","","","1.115","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214266","37.998","0.004","37.998","0.004","11.3178","0.0011","90","","90","","120","","14152","3","123","2","123","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C168 H111 Cl21 F30 N18 O9 Zn6 -","- C168 H99 Cl21 F30 N18 O9 Zn6 -","- C504 H297 Cl63 F90 N54 O27 Zn18 -","3","0.166667","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.","Metallohexacycles containing 4′-aryl-4,2′:6′,4′′-terpyridines: conformational preferences and fullerene capture","CrystEngComm","2014","16","3","328","","10.1039/c3ce42012d","","","1.54178","CuKα","","0.0626","0.0613","","","0.181","0.1826","","","","","","1.051","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214267","9.2722","0.0004","35.4234","0.0015","30.2123","0.0012","90","","95.305","0.002","90","","9880.8","0.7","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C162 H84 Cl12 F30 N18 Zn6 -","- C162 H84 Cl12 F30 N18 Zn6 -","- C324 H168 Cl24 F60 N36 Zn12 -","2","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.","Metallohexacycles containing 4′-aryl-4,2′:6′,4′′-terpyridines: conformational preferences and fullerene capture","CrystEngComm","2014","16","3","328","","10.1039/c3ce42012d","","","1.54178","CuKα","","0.124","0.1069","","","0.3013","0.3169","","","","","","1.089","","","","has coordinates,has disorder","180473","2020-10-21","18:00:00",""
"7214268","38.394","0.004","38.394","0.004","11.5576","0.0015","90","","90","","120","","14755","3","123","2","123","2","","","","","","","","6","R -3","-R 3","148","","","","- C162 H84 Br12 F30 N18 Zn6 -","- C162 H84 Br12 F30 N18 Zn6 -","- C486 H252 Br36 F90 N54 Zn18 -","3","","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.","Metallohexacycles containing 4′-aryl-4,2′:6′,4′′-terpyridines: conformational preferences and fullerene capture","CrystEngComm","2014","16","3","328","","10.1039/c3ce42012d","","","1.54178","CuKα","","0.1008","0.0769","","","0.1903","0.2024","","","","","","1.116","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214269","8.2122","0.0007","9.0548","0.0005","11.4228","0.0007","93.672","0.005","110.255","0.007","108.406","0.006","741.63","0.1","148","2","148","2","","","","","","","","3","P -1","-P 1","2","MBDA-Form-I","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C34 H44 N4 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.7107","MoKα","","0.0568","0.0435","","","0.1032","0.1123","","","","","","1.027","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214270","8.2145","0.0007","9.0601","0.0006","11.4225","0.0008","93.69","0.006","110.215","0.007","108.361","0.007","742.68","0.11","178","2","178","2","","","","","","","","3","P -1","-P 1","2","MBDA-Form-I","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C34 H44 N4 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.7107","MoKα","","0.0615","0.045","","","0.1076","0.1174","","","","","","1.052","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214271","8.2268","0.0007","9.0703","0.0006","11.4426","0.0008","93.691","0.005","110.218","0.007","108.335","0.006","746.06","0.11","208","2","208","2","","","","","","","","3","P -1","-P 1","2","MBDA-Form-I","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C34 H44 N4 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.7107","MoKα","","0.0645","0.0461","","","0.1105","0.1221","","","","","","1.032","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214272","8.2384","0.0008","9.095","0.0006","11.46","0.0008","93.7","0.006","110.161","0.008","108.267","0.007","750.96","0.12","238","2","238","2","","","","","","","","3","P -1","-P 1","2","MBDA-Form-I","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C34 H44 N4 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.7107","MoKα","","0.0709","0.0483","","","0.1131","0.1282","","","","","","1.023","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214273","8.2565","0.0008","9.1147","0.0006","11.4695","0.0008","93.722","0.005","110.153","0.008","108.221","0.007","755.1","0.12","268","2","268","2","","","","","","","","3","P -1","-P 1","2","MBDA-Form-I","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C34 H44 N4 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.7107","MoKα","","0.0746","0.0488","","","0.1156","0.1322","","","","","","1.031","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214274","8.2504","0.0009","9.1159","0.0007","11.4622","0.0009","93.8","0.007","110.087","0.009","108.151","0.009","754.71","0.14","298","2","298","2","","","","","","","","3","P -1","-P 1","2","MBDA-Form-I","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C34 H44 N4 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.7107","MoKα","","0.0799","0.0516","","","0.1228","0.142","","","","","","1.042","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214275","17.967","0.0012","7.9756","0.0006","14.0251","0.0008","90","","133.571","0.004","90","","1456.12","0.19","148","2","148","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","MBDA-Form-II","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C68 H88 N8 -","4","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.71073","MoKα","","0.0616","0.0426","","","0.1009","0.1115","","","","","","1.041","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214276","17.9037","0.0014","8.0121","0.0008","14.0696","0.0009","90","","133.44","0.004","90","","1465.4","0.2","178","2","178","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","MBDA-Form-II","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C68 H88 N8 -","4","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.71073","MoKα","","0.0755","0.0497","","","0.1302","0.1451","","","","","","1.051","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214277","17.8536","0.0016","8.07","0.0006","14.1329","0.0011","90","","133.271","0.005","90","","1482.6","0.2","208","2","208","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","MBDA-Form-II","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C68 H88 N8 -","4","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.71073","MoKα","","0.0859","0.053","","","0.1222","0.1393","","","","","","1.035","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214278","17.7463","0.0014","8.093","0.0007","14.1825","0.0009","90","","133.117","0.004","90","","1486.9","0.2","238","2","238","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","MBDA-Form-II","","","- C17 H22 N2 -","- C17 H22 N2 -","- C68 H88 N8 -","4","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.71073","MoKα","","0.1075","0.0584","","","0.1361","0.1662","","","","","","1.021","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214279","17.6512","0.0018","8.1468","0.0005","14.2338","0.001","90","","132.931","0.006","90","","1498.6","0.3","268","2","268","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","MBDA-Form-II","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C68 H88 N8 -","4","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.71073","MoKα","","0.111","0.0544","","","0.1109","0.1361","","","","","","1.014","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214280","17.5602","0.0017","8.1816","0.0006","14.282","0.001","90","","132.8","0.005","90","","1505.5","0.2","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","MBDA-Form-II","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C68 H88 N8 -","4","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.71073","MoKα","","0.1104","0.0563","","","0.1335","0.1663","","","","","","1.019","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214281","17.416","0.004","11.358","0.002","13.74","0.003","90","","92.41","0.03","90","","2715.5","1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Di-ethylammonium-1,1'-binaphthyl-2,2'-dicarboxylate","","- C30 H36 N2 O4 -","- C30 H36 N2 O4 -","- C120 H144 N8 O16 -","4","0.5","","Jacobs, Ayesha; Báthori, Nikoletta B.; Kabwit, Rodriguez Y.; Weber, Edwin","Salts of the scissor-shaped racemic host 1,1′-binaphthyl-2,2′-dicarboxylic acid with amines: structure and thermal stability","CrystEngComm","2014","16","12","2462","","10.1039/c3ce42215a","","","0.71073","MoKα","","0.0508","0.0401","","","0.0969","0.1041","","","","","","1.036","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214282","9.5427","0.0019","12.417","0.003","15.396","0.003","81.62","0.03","79.45","0.03","75.37","0.03","1725.8","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","Di-n-butylammonium-1,1'-binaphthyl-2,2'-dicarboxylate","","- C38 H52 N2 O4 -","- C38 H52 N2 O4 -","- C76 H104 N4 O8 -","2","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Kabwit, Rodriguez Y.; Weber, Edwin","Salts of the scissor-shaped racemic host 1,1′-binaphthyl-2,2′-dicarboxylic acid with amines: structure and thermal stability","CrystEngComm","2014","16","12","2462","","10.1039/c3ce42215a","","","0.71073","MoKα","","0.0661","0.0449","","","0.1107","0.124","","","","","","1.042","","","","has coordinates,has disorder","301864","2025-08-22","15:14:33",""
"7214283","11.8142","0.0013","12.3251","0.0014","13.3363","0.0015","64.614","0.002","86.613","0.002","83.622","0.002","1743.4","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","Di-n-butylammonium-1,1'-binaphthyl-2,2'-dicarboxylate","","- C38 H52 N2 O4 -","- C38 H52 N2 O4 -","- C76 H104 N4 O8 -","2","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Kabwit, Rodriguez Y.; Weber, Edwin","Salts of the scissor-shaped racemic host 1,1′-binaphthyl-2,2′-dicarboxylic acid with amines: structure and thermal stability","CrystEngComm","2014","16","12","2462","","10.1039/c3ce42215a","","","0.71073","MoKα","","0.0864","0.0499","","","0.1206","0.1395","","","","","","1.012","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214284","14.254","0.003","14.9","0.003","15.067","0.003","100.82","0.03","117.76","0.03","104.12","0.03","2571.3","1.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H81 N5 O7 -","- C53 H81 N5 O7 -","- C106 H162 N10 O14 -","2","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Kabwit, Rodriguez Y.; Weber, Edwin","Salts of the scissor-shaped racemic host 1,1′-binaphthyl-2,2′-dicarboxylic acid with amines: structure and thermal stability","CrystEngComm","2014","16","12","2462","","10.1039/c3ce42215a","","","0.71073","MoKα","","0.0787","0.0605","","","0.1684","0.1829","","","","","","1.037","","","","has coordinates,has disorder","301864","2025-08-22","15:14:33",""
"7214285","13.97","0.003","19.964","0.004","15.127","0.003","90","","97.88","0.03","90","","4179","1.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","dicyclohexylammonium-1,1'-binaphthyl-2,2'-dicarboxylate methanol hydrate","","- C47 H66 N2 O6 -","- C47 H66 N2 O6 -","- C188 H264 N8 O24 -","4","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Kabwit, Rodriguez Y.; Weber, Edwin","Salts of the scissor-shaped racemic host 1,1′-binaphthyl-2,2′-dicarboxylic acid with amines: structure and thermal stability","CrystEngComm","2014","16","12","2462","","10.1039/c3ce42215a","","","0.71073","MoKα","","0.0731","0.044","","","0.1108","0.1259","","","","","","1.028","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214286","11.2481","0.0012","13.1877","0.0014","18.235","0.002","90","","105.738","0.002","90","","2603.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15.1 H33.38 Al4 Na3 O15.1 -","- C15.095 H33.38 Al4 Na3 O15.095 -","- C60.38 H133.52 Al16 Na12 O60.38 -","4","1","","Li, Xiansen; Michaelis, Vladimir K.; Ong, Ta-Chung; Smith, Stacey J.; McKay, Ian; Müller, Peter; Griffin, Robert G.; Wang, Evelyn N.","One-pot Solvothermal Synthesis of Well-ordered Layered Sodium Aluminoalcoholate Complex: A Useful Precursor for the Preparation of Porous Al2O3 Particles.","CrystEngComm / RSC","2014","16","14","2950","2958","10.1039/C3CE42616E","","","0.71073","MoKα","","0.0633","0.0405","","","0.0994","0.111","","","","","","1.046","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214287","7.114","0.005","17.602","0.013","8.188","0.006","90","","110.666","0.012","90","","959.3","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 Br N2 O2 -","- C7 H11 Br N2 O2 -","- C28 H44 Br4 N8 O8 -","4","1","","Xuan, Xiao-Peng; Chang, Liang-Liang; Zhang, Heng; Wang, Na; Zhao, Yang","Hydrogen bonds in the crystal structure of hydrophobic and hydrophilic COOH-functionalized imidazolium ionic liquids","CrystEngComm","2014","16","14","3040","","10.1039/c3ce42492h","","","0.71073","MoKα","","0.0642","0.0436","","","0.1042","0.1134","","","","","","1.009","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214288","7.092","0.002","11.93","0.003","14.419","0.004","90","","109.603","0.012","90","","1149.2","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 F6 N2 O2 P -","- C7 H11 F6 N2 O2 P -","- C28 H44 F24 N8 O8 P4 -","4","1","","Xuan, Xiao-Peng; Chang, Liang-Liang; Zhang, Heng; Wang, Na; Zhao, Yang","Hydrogen bonds in the crystal structure of hydrophobic and hydrophilic COOH-functionalized imidazolium ionic liquids","CrystEngComm","2014","16","14","3040","","10.1039/c3ce42492h","","","0.71073","MoKα","","0.0672","0.0412","","","0.0869","0.0992","","","","","","1.007","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214289","8.264","0.005","15.703","0.01","21.517","0.011","90","","111.29","0.019","90","","2602","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 F6 N2 O2 P -","- C8 H13 F6 N2 O2 P -","- C64 H104 F48 N16 O16 P8 -","8","2","","Xuan, Xiao-Peng; Chang, Liang-Liang; Zhang, Heng; Wang, Na; Zhao, Yang","Hydrogen bonds in the crystal structure of hydrophobic and hydrophilic COOH-functionalized imidazolium ionic liquids","CrystEngComm","2014","16","14","3040","","10.1039/c3ce42492h","","","0.71073","MoKα","","0.2021","0.1652","","","0.3331","0.3456","","","","","","1.088","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214290","9.898","0.005","16.937","0.008","12.581","0.005","90","","127.51","0.03","90","","1673","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 F6 N3 O6 S2 -","- C9 H11 F6 N3 O6 S2 -","- C36 H44 F24 N12 O24 S8 -","4","1","","Xuan, Xiao-Peng; Chang, Liang-Liang; Zhang, Heng; Wang, Na; Zhao, Yang","Hydrogen bonds in the crystal structure of hydrophobic and hydrophilic COOH-functionalized imidazolium ionic liquids","CrystEngComm","2014","16","14","3040","","10.1039/c3ce42492h","","","0.71073","MoKα","","0.0579","0.0447","","","0.106","0.1143","","","","","","1.004","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214291","7.836","0.003","4.821","0.0018","28.599","0.011","90","","100.732","0.01","90","","1061.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 Br N2 O2 -","- C8 H13 Br N2 O2 -","- C32 H52 Br4 N8 O8 -","4","1","","Xuan, Xiao-Peng; Chang, Liang-Liang; Zhang, Heng; Wang, Na; Zhao, Yang","Hydrogen bonds in the crystal structure of hydrophobic and hydrophilic COOH-functionalized imidazolium ionic liquids","CrystEngComm","2014","16","14","3040","","10.1039/c3ce42492h","","","0.71073","MoKα","","0.0425","0.0336","","","0.0838","0.088","","","","","","1.017","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214292","13.445","0.006","6.382","0.003","9.727","0.005","90","","90","","90","","834.6","0.7","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H9 Cl N2 O2 -","- C6 H9 Cl N2 O2 -","- C24 H36 Cl4 N8 O8 -","4","1","","Xuan, Xiao-Peng; Chang, Liang-Liang; Zhang, Heng; Wang, Na; Zhao, Yang","Hydrogen bonds in the crystal structure of hydrophobic and hydrophilic COOH-functionalized imidazolium ionic liquids","CrystEngComm","2014","16","14","3040","","10.1039/c3ce42492h","","","0.71073","MoKα","","0.0348","0.0287","","","0.068","0.0713","","","","","","1.012","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214293","15.4579","0.0016","19.1439","0.0017","17.109","0.001","90","","105.241","0.006","90","","4884.9","0.7","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H58 O29 U4 -","- C30 H51 O29 U4 -","- C120 H204 O116 U16 -","4","2","","Thuéry, Pierre; Harrowfield, Jack","Chiral one- to three-dimensional uranyl‒organic assemblies from (1R,3S)-(+)-camphoric acid","CrystEngComm","2014","16","14","2996","","10.1039/c3ce42613k","","","0.71073","MoKα","","0.1108","0.0714","","","0.1705","0.1863","","","","","","1.022","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214294","21.3657","0.0007","21.3657","0.0007","38.4108","0.0014","90","","90","","120","","15185.1","0.9","150","2","150","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C120 H194 K8 O77 U8 -","- C120 H168 K8.01 O77 U8 -","- C360 H504 K24.03 O231 U24 -","3","0.333333","","Thuéry, Pierre; Harrowfield, Jack","Chiral one- to three-dimensional uranyl‒organic assemblies from (1R,3S)-(+)-camphoric acid","CrystEngComm","2014","16","14","2996","","10.1039/c3ce42613k","","","0.71073","MoKα","","0.0961","0.063","","","0.1569","0.1692","","","","","","1.052","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214295","9.2051","0.0002","19.3999","0.0003","10.3663","0.0002","90","","97.9411","0.0007","90","","1833.44","0.06","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H23 N O7 U -","- C15 H23 N O7 U -","- C60 H92 N4 O28 U4 -","4","2","","Thuéry, Pierre; Harrowfield, Jack","Chiral one- to three-dimensional uranyl‒organic assemblies from (1R,3S)-(+)-camphoric acid","CrystEngComm","2014","16","14","2996","","10.1039/c3ce42613k","","","0.71073","MoKα","","0.0408","0.0379","","","0.0992","0.1009","","","","","","1.039","","","","has coordinates,has disorder","180473","2020-10-21","18:00:00",""
"7214296","19.5109","0.0015","18.82","0.001","13.9091","0.0011","90","","109.813","0.004","90","","4805","0.6","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C40 H60 Cu N2 O18 U2 -","- C40 H60 Cu N2 O18 U2 -","- C160 H240 Cu4 N8 O72 U8 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Chiral one- to three-dimensional uranyl‒organic assemblies from (1R,3S)-(+)-camphoric acid","CrystEngComm","2014","16","14","2996","","10.1039/c3ce42613k","","","0.71073","MoKα","","0.1013","0.0678","","","0.1787","0.1941","","","","","","1.039","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214297","7.3053","0.0007","17.5056","0.0014","12.6731","0.0012","90","","90","","90","","1620.7","0.3","143","1","143","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H17 O5 S Zn -","- C19 H17 O5 S Zn -","- C76 H68 O20 S4 Zn4 -","4","0.5","","Kojtari, Arben; Carroll, Patrick J.; Ji, Hai-Feng","Metal organic framework (MOF) micro/nanopillars","CrystEngComm","2014","16","14","2885","","10.1039/c4ce00172a","","","0.71073","MoKα","","0.0578","0.0366","","","0.0894","0.0996","","","","","","1.09","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214298","6.7778","0.0007","18.8206","0.0018","8.5384","0.0008","90","","92.471","0.004","90","","1088.16","0.18","143","1","143","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 Cu O9 -","- C9 H10 Cu O9 -","- C36 H40 Cu4 O36 -","4","1","","Kojtari, Arben; Carroll, Patrick J.; Ji, Hai-Feng","Metal organic framework (MOF) micro/nanopillars","CrystEngComm","2014","16","14","2885","","10.1039/c4ce00172a","","","0.71073","MoKα","","0.0196","0.0194","","","0.0526","0.0526","","","","","","1.112","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214299","22.463","0.004","10.3101","0.0019","17.114","0.003","90","","90.427","0.002","90","","3963.4","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Cu2 N10 O4 Zn -","- C42 H40 Cu2 N10 O4 Zn -","- C168 H160 Cu8 N40 O16 Zn4 -","4","0.5","","Das, Lakshmi Kanta; Kirillov, Alexander M.; Ghosh, Ashutosh","Discrete 0D and polymeric 2D and 3D derivatives assembled from [(CuL)2Zn]2+ and dicyanamide blocks (H2L = salen type Schiff bases): Genuine supramolecular isomers with distinct topologies","CrystEngComm","2014","16","14","3029","","10.1039/c3ce42027b","","","0.71073","MoKα","","0.052","0.0328","","","0.0724","0.0803","","","","","","1.017","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214300","16.3579","0.0015","10.7877","0.001","21.928","0.002","90","","107.132","0.001","90","","3697.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 Cu2 N10 O4 Zn -","- C38 H32 Cu2 N10 O4 Zn -","- C152 H128 Cu8 N40 O16 Zn4 -","4","1","","Das, Lakshmi Kanta; Kirillov, Alexander M.; Ghosh, Ashutosh","Discrete 0D and polymeric 2D and 3D derivatives assembled from [(CuL)2Zn]2+ and dicyanamide blocks (H2L = salen type Schiff bases): Genuine supramolecular isomers with distinct topologies","CrystEngComm","2014","16","14","3029","","10.1039/c3ce42027b","","","0.71073","MoKα","","0.0737","0.0379","","","0.0699","0.0814","","","","","","1.008","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214301","11.44","0.002","11.44","0.002","24.485","0.004","90","","90","","120","","2775.1","0.8","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C38 H32 Cu2 N10 O4 Zn -","- C38 H32 Cu2 N10 O4 Zn -","- C114 H96 Cu6 N30 O12 Zn3 -","3","0.5","","Das, Lakshmi Kanta; Kirillov, Alexander M.; Ghosh, Ashutosh","Discrete 0D and polymeric 2D and 3D derivatives assembled from [(CuL)2Zn]2+ and dicyanamide blocks (H2L = salen type Schiff bases): Genuine supramolecular isomers with distinct topologies","CrystEngComm","2014","16","14","3029","","10.1039/c3ce42027b","","","0.71073","MoKα","","0.0484","0.0368","","","0.0832","0.0911","","","","","","0.945","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214302","13.585","0.004","12.926","0.004","16.012","0.005","90","","90","","90","","2811.7","1.5","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H15 Cl3 N2 O8 -","- C7 H15 Cl3 N2 O8 -","- C56 H120 Cl24 N16 O64 -","8","1","","Chen, Li-Zhuang; Huang, Deng-Deng; Ge, Jia-Zhen; Wang, Fang-Ming","Temperature-induced reversible structural phase transition of 1-(chloromethyl)-1,4-diazoniabicyclo[2.2.2]octane bis(perchlorate)","CrystEngComm","2014","16","14","2944","","10.1039/c3ce42190b","","","0.71073","MoKα","","0.077","0.069","","","0.1744","0.1833","","","","","","0.956","","","","has coordinates,has disorder","301864","2025-08-22","15:14:33",""
"7214303","12.659","0.004","16.121","0.005","13.197","0.004","90","","91.231","0.004","90","","2692.6","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H15 Cl3 N2 O8 -","- C7 H15 Cl3 N2 O8 -","- C56 H120 Cl24 N16 O64 -","8","2","","Chen, Li-Zhuang; Huang, Deng-Deng; Ge, Jia-Zhen; Wang, Fang-Ming","Temperature-induced reversible structural phase transition of 1-(chloromethyl)-1,4-diazoniabicyclo[2.2.2]octane bis(perchlorate)","CrystEngComm","2014","16","14","2944","","10.1039/c3ce42190b","","","0.71073","MoKα","","0.0969","0.0883","","","0.2124","0.2178","","","","","","1.061","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214304","13.3098","0.0012","12.7949","0.0012","16.0119","0.0015","90","","90","","90","","2726.8","0.4","170","2","170","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H15 Cl3 N2 O8 -","- C7 H15 Cl3 N2 O8 -","- C56 H120 Cl24 N16 O64 -","8","1","","Chen, Li-Zhuang; Huang, Deng-Deng; Ge, Jia-Zhen; Wang, Fang-Ming","Temperature-induced reversible structural phase transition of 1-(chloromethyl)-1,4-diazoniabicyclo[2.2.2]octane bis(perchlorate)","CrystEngComm","2014","16","14","2944","","10.1039/c3ce42190b","","","0.71073","MoKα","","0.0615","0.056","","","0.1493","0.1537","","","","","","1.243","","","","has coordinates,has disorder","301864","2025-08-22","15:14:33",""
"7214305","9.7003","0.0003","10.0807","0.0004","26.1807","0.001","88.397","0.002","82.073","0.001","69.855","0.001","2379.99","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H86 Mo N2 O10 -","- C40 H86 Mo N2 O10 -","- C80 H172 Mo2 N4 O20 -","2","1","","Chakravarthy, Rajan Deepan; Ramkumar, Venkatachalam; Chand, Dillip Kumar","A molybdenum based metallomicellar catalyst for controlled and selective sulfoxidation reactions in aqueous medium","Green Chemistry","2014","16","4","2190","","10.1039/c3gc42245c","","","0.71073","MoKα","","0.0551","0.0396","","","0.1233","0.1433","","","","","","1.046","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214306","10.7382","0.0003","10.2853","0.0003","11.9959","0.0003","90","","114.837","0.001","90","","1202.35","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 N2 O S2 -","- C10 H16 N2 O S2 -","- C40 H64 N8 O4 S8 -","4","1","","Wang, Yan-Bo; Sun, Dong-Sheng; Zhou, Hui; Zhang, Wen-Zhen; Lu, Xiao-Bing","Alkoxide-functionalized imidazolium betaines for CO2 activation and catalytic transformation","Green Chemistry","2014","16","4","2266","","10.1039/c3gc42346h","","","0.71073","MoKα","","0.0384","0.0345","","","0.0969","0.1","","","","","","1.051","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214307","7.0242","0.0004","15.4761","0.0009","11.2508","0.0007","90","","92.082","0.001","90","","1222.24","0.13","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 N2 O S2 -","- C10 H16 N2 O S2 -","- C40 H64 N8 O4 S8 -","4","1","","Wang, Yan-Bo; Sun, Dong-Sheng; Zhou, Hui; Zhang, Wen-Zhen; Lu, Xiao-Bing","Alkoxide-functionalized imidazolium betaines for CO2 activation and catalytic transformation","Green Chemistry","2014","16","4","2266","","10.1039/c3gc42346h","","","0.71073","MoKα","","0.1003","0.0518","","","0.1151","0.134","","","","","","1.028","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214308","12.1669","0.0007","12.065","0.0007","19.2806","0.0011","90","","90","","90","","2830.3","0.3","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C10 H19 N2 O5 -","- C10 H19 N2 O4.5 -","- C80 H152 N16 O36 -","8","1","","Wang, Yan-Bo; Sun, Dong-Sheng; Zhou, Hui; Zhang, Wen-Zhen; Lu, Xiao-Bing","Alkoxide-functionalized imidazolium betaines for CO2 activation and catalytic transformation","Green Chemistry","2014","16","4","2266","","10.1039/c3gc42346h","","","0.71073","MoKα","","0.1244","0.108","","","0.3651","0.4047","","","","","","0.933","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214309","22.439","0.005","5.3555","0.0011","13.393","0.003","90","","90","","90","","1609.5","0.6","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H15 N O -","- C23 H15 N O -","- C92 H60 N4 O4 -","4","1","","Rao, Yin; Li, Zhexian; Yin, Guodong","Clean and efficient assembly of functionalized benzofuro[2,3-c]pyridines via metal-free one-pot domino reactions","Green Chemistry","2014","16","4","2213","","10.1039/c3gc42234h","","","0.71073","MoKα","","0.076","0.0469","","","0.114","0.1293","","","","","","1.037","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214310","8","0.0001","13.5322","0.0002","19.2803","0.0003","90","","92.183","0.001","90","","2085.72","0.05","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H52 Cl2 Co2 N10 O11 -","- C32 H52 Cl2 Co2 N10 O11 -","- C64 H104 Cl4 Co4 N20 O22 -","2","0.5","","Wakerley, David W.; Reisner, Erwin","Development and understanding of cobaloxime activity through electrochemical molecular catalyst screening.","Physical chemistry chemical physics : PCCP","2014","16","12","5739","5746","10.1039/c4cp00453a","","","0.71073","MoKα","","0.0584","0.0387","","","0.113","0.1164","","","","","","1.03","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214311","5.8059","0.0002","19.4214","0.0008","13.5907","0.0006","90","","96.284","0.002","90","","1523.26","0.11","100","2","99.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 Br3 N3 O2 -","- C11 H16 Br3 N3 O2 -","- C44 H64 Br12 N12 O8 -","4","1","","Rosokha, Sergiy V.; Vinakos, Michael K.","Halogen bond-assisted electron transfer reactions of aliphatic bromosubstituted electrophiles.","Physical chemistry chemical physics : PCCP","2014","16","5","1809","1813","10.1039/c3cp54004a","","","0.71073","MoKα","","0.032","0.024","","","0.0547","0.0577","","","","","","1.037","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214312","39.4134","0.0004","39.4134","0.0004","10.4024","0.0002","90","","90","","120","","13994.3","0.3","93","2","93","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C32 H30 N2 O8 -","- C32 H30 N2 O8 -","- C576 H540 N36 O144 -","18","1","","Gruber, Tobias; Eißmann, Frank; Gruner, Margit; Heinz, Luisa G.; Seichter, Wilhelm; Weber, Edwin","Simple dinitro substituted calix[4]arene forming a honeycomb-like architecture with hydrophobic channels","CrystEngComm","2014","16","18","3730","","10.1039/c3ce41819g","","","0.71073","MoKα","","0.0666","0.0496","","","0.1357","0.1517","","","","","","0.995","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214313","39.3244","0.0003","39.3244","0.0003","10.4186","0.0002","90","","90","","120","","13952.9","0.3","103","2","103","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C33 H32 N2 O8.34 -","- C33 H30 N2 O8.34 -","- C594 H540 N36 O150.12 -","18","1","","Gruber, Tobias; Eißmann, Frank; Gruner, Margit; Heinz, Luisa G.; Seichter, Wilhelm; Weber, Edwin","Simple dinitro substituted calix[4]arene forming a honeycomb-like architecture with hydrophobic channels","CrystEngComm","2014","16","18","3730","","10.1039/c3ce41819g","","","0.71073","MoKα","","0.093","0.0531","","","0.1258","0.1462","","","","","","1.041","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214314","16.1514","0.0005","16.4165","0.0005","24.4814","0.0008","90","","90","","90","","6491.2","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H31 Cl3 N2 O8 -","- C33 H31 Cl3 N2 O8 -","- C264 H248 Cl24 N16 O64 -","8","1","","Gruber, Tobias; Eißmann, Frank; Gruner, Margit; Heinz, Luisa G.; Seichter, Wilhelm; Weber, Edwin","Simple dinitro substituted calix[4]arene forming a honeycomb-like architecture with hydrophobic channels","CrystEngComm","2014","16","18","3730","","10.1039/c3ce41819g","","","0.71073","MoKα","","0.0837","0.0678","","","0.196","0.215","","","","","","1.284","","","","has coordinates,has disorder","301864","2025-08-22","15:14:33",""
"7214315","14.8361","0.0005","36.0691","0.0012","23.6851","0.0009","90","","101.903","0.001","90","","12402","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H95 Ce3 N5 O89 S8 -","- C84 H95 Ce3 N5 O89 S8 -","- C336 H380 Ce12 N20 O356 S32 -","4","1","","Husain, Ahmad; Oliver, Clive L.","A C-shaped p-sulfonatocalix[4]arene-based supermolecule exhibiting mutual-inclusion and bilayer insertion of dipicolinate","CrystEngComm","2014","16","18","3749","","10.1039/c3ce42358a","","","0.71073","MoKα","","0.0689","0.0496","","","0.1181","0.1282","","","","","","1.028","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214316","14.6699","0.0008","13.9019","0.0008","27.0087","0.0015","90","","102.838","0.003","90","","5370.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H67 Cl4 N5 O4 -","- C51 H55 Cl4 N5 O4 -","- C204 H220 Cl16 N20 O16 -","4","1","","Engle, Jeffrey M.; Singh, Pushpinder S.; Vonnegut, Chris L.; Zakharov, Lev N.; Johnson, Darren W.; Haley, Michael M.","Synthesis and solid-state structures of a macrocyclic receptor based on the 2,6-bis(2-anilinoethynyl)pyridine scaffold","CrystEngComm","2014","16","18","3703","","10.1039/c3ce42307g","","","1.54178","CuKα","","0.1023","0.0891","","","0.2627","0.2771","","","","","","1.059","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214317","24.0752","0.0018","9.9609","0.0007","45.509","0.003","90","","90","","90","","10913.5","1.3","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C53 H62 N5 O5 -","- C50 H55 N5 O5 -","- C400 H440 N40 O40 -","8","1","","Engle, Jeffrey M.; Singh, Pushpinder S.; Vonnegut, Chris L.; Zakharov, Lev N.; Johnson, Darren W.; Haley, Michael M.","Synthesis and solid-state structures of a macrocyclic receptor based on the 2,6-bis(2-anilinoethynyl)pyridine scaffold","CrystEngComm","2014","16","18","3703","","10.1039/c3ce42307g","","","0.71073","MoKα","","0.1058","0.0636","","","0.1759","0.2","","","","","","1.01","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214318","10.899","0.003","10.055","0.003","27.255","0.007","90","","90","","90","","2986.9","1.4","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H36 N4 O4 -","- C36 H36 N4 O4 -","- C144 H144 N16 O16 -","4","0.5","","Tedesco, Consiglia; Erra, Loredana; Izzo, Irene; De Riccardis, Francesco","Solid state assembly of cyclic α-peptoids","CrystEngComm","2014","16","18","3667","","10.1039/c3ce42456a","","","1.54178","CuKα","","0.073","0.0586","","","0.172","0.2208","","","","","","1.029","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214319","11.612","0.0002","14.5363","0.0002","27.401","0.0004","90","","101.019","0.0014","90","","4539.9","0.12","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H74 N2 O9 -","- C49 H74 N2 O9 -","- C196 H296 N8 O36 -","4","1","","Beyeh, N. Kodiah; Valkonen, Arto; Rissanen, Kari","Deprotonation of resorcinarenes by mono- and diamine bases: complexation and intermolecular interactions in the solid state","CrystEngComm","2014","16","18","3758","","10.1039/c3ce42291g","","","1.54184","CuKα","","0.0451","0.0383","","","0.098","0.1033","","","","","","1.03","","","","has coordinates,has disorder","301864","2025-08-22","15:14:33",""
"7214320","11.0544","0.0005","11.9545","0.0005","17.4371","0.0009","109.915","0.004","100.321","0.004","97.585","0.004","2084.53","0.19","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H61 N3 O8 -","- C45 H61 N3 O8 -","- C90 H122 N6 O16 -","2","1","","Beyeh, N. Kodiah; Valkonen, Arto; Rissanen, Kari","Deprotonation of resorcinarenes by mono- and diamine bases: complexation and intermolecular interactions in the solid state","CrystEngComm","2014","16","18","3758","","10.1039/c3ce42291g","","","1.54184","CuKα","","0.066","0.0502","","","0.1449","0.1581","","","","","","1.05","","","","has coordinates,has disorder","301864","2025-08-22","15:14:33",""
"7214321","11.7076","0.0005","14.7176","0.0006","15.4943","0.0006","107.092","0.002","94.407","0.002","110.946","0.002","2333.23","0.17","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H73 N3 O9 -","- C50 H73 N3 O9 -","- C100 H146 N6 O18 -","2","1","","Beyeh, N. Kodiah; Valkonen, Arto; Rissanen, Kari","Deprotonation of resorcinarenes by mono- and diamine bases: complexation and intermolecular interactions in the solid state","CrystEngComm","2014","16","18","3758","","10.1039/c3ce42291g","","","0.71073","MoKα","","0.1043","0.0707","","","0.1485","0.166","","","","","","1.091","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214322","8.1302","0.0002","11.0677","0.0004","17.3238","0.0007","90","","95.2468","0.0012","90","","1552.31","0.09","150","","150","","","","","","","","synthesized","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 Br2 Cl2 N4 O2 -","- C28 H36 Br2 Cl2 N4 O2 -","- C56 H72 Br4 Cl4 N8 O4 -","2","0.5","","White, Nicholas G.; Caballero, Antonio; Beer, Paul D.","Observation of strong halogen bonds in the solid state structures of bis-haloimidazolium macrocycles","CrystEngComm","2014","16","18","3722","","10.1039/c3ce41944d","","","0.71073","MoKα","","0.047","0.0379","","0.0863","0.0809","0.0863","","","","","","0.9195","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214323","8.709","0.0001","8.9799","0.0001","26.0376","0.0003","89.5146","0.0004","84.863","0.0004","85.5213","0.0005","2021.92","0.04","150","","150","","","","","","","","synthesized","7","P -1","-P 1","2","","","","- C32 H46 Br2 I2 N4 O3 S3 -","- C32 H46 Br2 I2 N4 O3 S3 -","- C64 H92 Br4 I4 N8 O6 S6 -","2","1","","White, Nicholas G.; Caballero, Antonio; Beer, Paul D.","Observation of strong halogen bonds in the solid state structures of bis-haloimidazolium macrocycles","CrystEngComm","2014","16","18","3722","","10.1039/c3ce41944d","","","0.71073","MoKα","","0.0529","0.0427","","0.1121","0.1023","0.1121","","","","","","0.9631","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214324","8.7552","0.0002","9.1778","0.0002","19.3962","0.0005","100.835","0.001","95.9931","0.001","95.4914","0.0011","1511.75","0.06","150","","150","","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C26 H31 Br2 N6 O7.5 -","- C26 H31 Br2 N6 O7.5 -","- C52 H62 Br4 N12 O15 -","2","1","","White, Nicholas G.; Caballero, Antonio; Beer, Paul D.","Observation of strong halogen bonds in the solid state structures of bis-haloimidazolium macrocycles","CrystEngComm","2014","16","18","3722","","10.1039/c3ce41944d","","","0.71073","MoKα","","0.0994","0.0658","","0.2173","0.1669","0.2173","","","","","","0.9691","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214325","27.1683","0.0011","15.3846","0.0005","19.2713","0.0009","90","","98.162","0.002","90","","7973.3","0.6","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C68 H72 Br2 Cd Cl12 N4 O4 S4 -","- C68 H70 Br2 Cd Cl12 N4 O4 S4 -","- C272 H280 Br8 Cd4 Cl48 N16 O16 S16 -","4","0.5","","Ovsyannikov, A.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: generation of grid and porous diamondoid coordination networks by calixarene based tectons","CrystEngComm","2014","16","18","3765","","10.1039/c3ce42305k","","","0.71073","MoKα","","0.1103","0.0811","","","0.2313","0.2548","","","","","","1.051","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214326","13.9112","0.0002","14.48","0.0003","20.85","0.0004","74.732","0.001","82.404","0.001","66.777","0.001","3721.48","0.12","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H70 Br2 Cd Cl6 N4 S8 -","- C66 H70 Br2 Cd Cl6 N4 S8 -","- C132 H140 Br4 Cd2 Cl12 N8 S16 -","2","1","","Ovsyannikov, A.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: generation of grid and porous diamondoid coordination networks by calixarene based tectons","CrystEngComm","2014","16","18","3765","","10.1039/c3ce42305k","","","0.71073","MoKα","","0.0847","0.0432","","","0.1015","0.1181","","","","","","1.004","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214327","28.197","0.0008","15.6401","0.0004","15.4989","0.0004","90","","100.242","0.002","90","","6726.2","0.3","173","2","173","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C130 H146 Br2 Co N8 O3 S16 -","- C130 H144 Br2 Co N8 O3 S16 -","- C260 H288 Br4 Co2 N16 O6 S32 -","2","0.5","","Ovsyannikov, A.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: generation of grid and porous diamondoid coordination networks by calixarene based tectons","CrystEngComm","2014","16","18","3765","","10.1039/c3ce42305k","","","0.71073","MoKα","","0.1023","0.0604","","","0.1504","0.1736","","","","","","1.033","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214328","11.4791","0.0004","14.2338","0.0004","21.6211","0.0005","87.817","0.001","81.183","0.001","66.381","0.001","3197.45","0.16","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C129 H140 Cl4 Fe2 N8 O S16 -","- C129 H140 Cl4 Fe2 N8 O S16 -","- C129 H140 Cl4 Fe2 N8 O S16 -","1","0.5","","Ovsyannikov, A.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: generation of grid and porous diamondoid coordination networks by calixarene based tectons","CrystEngComm","2014","16","18","3765","","10.1039/c3ce42305k","","","0.71073","MoKα","","0.0607","0.0486","","","0.1368","0.148","","","","","","1.033","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214329","9.4199","0.0003","12.6344","0.0004","20.5258","0.0005","90","","90","","90","","2442.87","0.12","200","2","200","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C15 H9 N13 O12 Pb2 -","- C15 H9 N13 O12 Pb2 -","- C60 H36 N52 O48 Pb8 -","4","0.5","","Safin, Damir A.; Burgess, Kevin M. N.; Korobkov, Ilia; Bryce, David L.; Murugesu, Muralee","Renaissance of the coordination chemistry of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (TPymT). Part II: new insights into the reaction of TPymT with Pb(NO3)2","CrystEngComm","2014","16","17","3466","","10.1039/c4ce00009a","","","0.71073","MoKα","","0.0326","0.0267","","","0.0665","0.0698","","","","","","1.037","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214330","10.4811","0.0004","14.5008","0.0005","21.9334","0.0008","90","","90","","90","","3333.5","0.2","100","2","100","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C36 H84 Cl4 Mg2 N24 O36 -","- C36 H36 Cl4 Mg2 N24 O35.6636 -","- C72 H72 Cl8 Mg4 N48 O71.3272 -","2","0.25","","Danylyuk, Oksana; Fedin, Vladimir P.","Unexpected crystallization of the metastable tubular coordination polymer of cucurbit[6]uril with magnesium ions which spontaneously transforms into a discrete coordination complex","CrystEngComm","2014","16","18","3699","","10.1039/c3ce42287a","","","1.5418","CuKα","","0.1037","0.0878","","","0.2471","0.2644","","","","","","1.03","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214331","10.915","0.0002","12.4577","0.0002","13.8264","0.0002","106.243","0.001","94.7355","0.001","113.72","0.001","1611.32","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H80 Cl4 Mg2 N24 O34 -","- C36 H62 Cl4 Mg2 N24 O34 -","- C36 H62 Cl4 Mg2 N24 O34 -","1","0.5","","Danylyuk, Oksana; Fedin, Vladimir P.","Unexpected crystallization of the metastable tubular coordination polymer of cucurbit[6]uril with magnesium ions which spontaneously transforms into a discrete coordination complex","CrystEngComm","2014","16","18","3699","","10.1039/c3ce42287a","","","0.71073","MoKα","","0.0472","0.0433","","","0.1118","0.1145","","","","","","1.047","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214332","12.4536","0.0002","12.4913","0.0002","13.0575","0.0002","110.575","0.001","102.185","0.001","98.7109","0.001","1801.45","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H86 Cl8 Mg4 N24 O37 -","- C36 H76.048 Cl8 Mg4 N24 O37 -","- C36 H76.048 Cl8 Mg4 N24 O37 -","1","0.5","","Danylyuk, Oksana; Fedin, Vladimir P.","Unexpected crystallization of the metastable tubular coordination polymer of cucurbit[6]uril with magnesium ions which spontaneously transforms into a discrete coordination complex","CrystEngComm","2014","16","18","3699","","10.1039/c3ce42287a","","","0.71073","MoKα","","0.0516","0.0435","","","0.0958","0.1026","","","","","","1.05","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214333","12.2773","0.0009","28.901","0.002","15.635","0.0012","90","","93.101","0.002","90","","5539.6","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5","","","- C58.5 H66 N8 O14.5 -","- C58.5 H65.5 N8 O14.5 -","- C234 H262 N32 O58 -","4","1","","Kennedy, Stuart; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Salt formation affects the conformational and assembly properties of p-carboxylatocalix[4]arenes","CrystEngComm","2014","16","18","3712","","10.1039/c3ce42523a","","","0.7749","Synchrotron","","0.0763","0.0505","","","0.1342","0.1524","","","","","","0.976","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214334","16.5671","0.0014","19.7029","0.0017","20.3946","0.0018","87.763","0.004","84.24","0.004","77.864","0.003","6474.5","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","methanolpropoxy","","","- C130.65 H167.3 N16 O34 -","- C130.65 H150 N16 O33.5 -","- C261.3 H300 N32 O67 -","2","1","","Kennedy, Stuart; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Salt formation affects the conformational and assembly properties of p-carboxylatocalix[4]arenes","CrystEngComm","2014","16","18","3712","","10.1039/c3ce42523a","","","0.71073","MoKα","","0.1023","0.0809","","","0.2388","0.2542","","","","","","1.893","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214335","13.1086","0.0004","38.2571","0.0017","12.9509","0.0006","90","","99.22","0.002","90","","6410.9","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","methanolbutoxy","","","- C68 H80 N8 O12 -","- C68 H80 N8 O12 -","- C272 H320 N32 O48 -","4","0.5","","Kennedy, Stuart; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Salt formation affects the conformational and assembly properties of p-carboxylatocalix[4]arenes","CrystEngComm","2014","16","18","3712","","10.1039/c3ce42523a","","","0.7749","synchrotron","","0.2628","0.1289","","","0.2471","0.3001","","","","","","1.389","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214336","16.3018","0.0005","8.6598","0.0002","13.566","0.0004","90","","112.177","0.004","90","","1773.44","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H26 Cl2 N6 Ni O8 -","- C10 H26 Cl2 N6 Ni O8 -","- C40 H104 Cl8 N24 Ni4 O32 -","4","1","","Tsymbal, Lyudmila V.; Lampeka, Yaroslaw D.; Boyko, Vyacheslaw I.; Kalchenko, Vitaly I.; Shishkina, Svitlana V.; Shishkin, Oleg V.","A ladder-type coordination polymer constructed from two macrocyclic units – calix[4]arene tetracarboxylate and azamacrocyclic nickel(ii) complex","CrystEngComm","2014","16","18","3707","","10.1039/c3ce42279h","","","0.71073","MoKα","","0.0513","0.0362","","","0.0887","0.0957","","","","","","0.992","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214337","12.9588","0.0004","15.3239","0.0005","24.3358","0.0009","78.225","0.003","84.909","0.003","70.031","0.003","4445.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C161 H265 N27 Ni3 O34 -","- C161 H265 N27 Ni3 O34 -","- C161 H265 N27 Ni3 O34 -","1","0.5","","Tsymbal, Lyudmila V.; Lampeka, Yaroslaw D.; Boyko, Vyacheslaw I.; Kalchenko, Vitaly I.; Shishkina, Svitlana V.; Shishkin, Oleg V.","A ladder-type coordination polymer constructed from two macrocyclic units ‒ calix[4]arene tetracarboxylate and azamacrocyclic nickel(ii) complex","CrystEngComm","2014","16","18","3707","","10.1039/c3ce42279h","","","0.71073","MoKα","","0.1063","0.0766","","","0.2038","0.2337","","","","","","0.999","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214338","13.344","0.0008","11.0423","0.0007","14.6607","0.0009","90","","90.571","0.003","90","","2160.1","0.2","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H56 N6 O2 -","- C52 H56 N6 O2 -","- C104 H112 N12 O4 -","2","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.","2D → 2D Parallel interpenetration of (4,4) sheets constructed from a ditopic bis(4,2′:6′,4′′-terpyridine)","CrystEngComm","2014","16","17","3494","","10.1039/c4ce00324a","","","1.54178","CuKα","","0.0447","0.0393","","","0.1046","0.1096","","","","","","1.034","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214339","20.6102","0.0011","11.5999","0.0006","23.8198","0.0012","90","","90.978","0.003","90","","5693.9","0.5","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H64 Cl4 N6 O6 Zn2 -","- C52 H56 Cl4 N6 O6 Zn2 -","- C208 H224 Cl16 N24 O24 Zn8 -","4","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.","2D →2D Parallel interpenetration of (4,4) sheets constructed from a ditopic bis(4,2′:6′,4′′-terpyridine)","CrystEngComm","2014","16","17","3494","","10.1039/c4ce00324a","","","1.54178","CuKα","","0.0616","0.0591","","","0.1643","0.1659","","","","","","1.192","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214340","44.86","0.004","15.1635","0.0014","15.6748","0.0014","90","","97.55","0.004","90","","10570.1","1.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[Dinitro{(±)-2,7,12-Trimethoxy-3,8,13-tris(2-N-oxide-pyridylmethoxy)-10,15-dihydro-5H- tribenzo[a,d,g]cyclononatriene}]gadolinium(III) dimethylformamide","","- C45 H46 Gd N7 O19 -","- C45 H46 Gd N7 O19 -","- C360 H368 Gd8 N56 O152 -","8","1","","Henkelis, James J.; Ronson, Tanya K.; Hardie, Michaele J.","Lanthanide coordination polymers with pyridyl-N-oxide or carboxylate functionalised host ligands","CrystEngComm","2014","16","18","3688","","10.1039/c3ce40776d","","","0.71073","MoKα","","0.1437","0.0698","","","0.1808","0.2194","","","","","","1.005","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214341","12.7326","0.0012","16.1047","0.0013","19.7002","0.0017","103.648","0.002","91.582","0.003","94.159","0.003","3911","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[Chlorotrisdimethylformamide{(±)-2,7,12-trimethoxy- 3,8,13-tris(4-N-oxide-pyridyloxy)-10,15-dihydro-5H- tribenzo[a,d,g]cyclononatriene}samarium(III) pentachlorodimethylformamidesamariumate(III) dimethylformamide","","- C61.5 H78.5 Cl6 N9.5 O18.5 Sm2 -","- C61.5 H78.5 Cl6 N9.5 O18.5 Sm2 -","- C123 H157 Cl12 N19 O37 Sm4 -","2","1","","Henkelis, James J.; Ronson, Tanya K.; Hardie, Michaele J.","Lanthanide coordination polymers with pyridyl-N-oxide or carboxylate functionalised host ligands","CrystEngComm","2014","16","18","3688","","10.1039/c3ce40776d","","","0.71073","MoKα","","0.0773","0.0504","","","0.1334","0.1494","","","","","","1.034","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214342","14.2284","0.001","14.7501","0.0011","16.4083","0.0012","76.082","0.004","70.013","0.003","61.718","0.003","2837","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","[Aquodimethylformamide{(±)-2,7,12-Trimethoxy-3,8,13-tris(4- phenylcarboxylic acid methoxy)-10,15-dihydro-5H- tribenzo[a,d,g] cyclononatriene}europium(III) dimethylformamide hydrate","","- C55.5 H60.5 Eu N2.5 O16.5 -","- C55.5 H56.5 Eu N2.5 O16.5 -","- C111 H113 Eu2 N5 O33 -","2","1","","Henkelis, James J.; Ronson, Tanya K.; Hardie, Michaele J.","Lanthanide coordination polymers with pyridyl-N-oxide or carboxylate functionalised host ligands","CrystEngComm","2014","16","18","3688","","10.1039/c3ce40776d","","","0.71073","MoKα","","0.073","0.0701","","","0.1929","0.1947","","","","","","1.166","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214343","9.1779","0.0004","23.8787","0.0013","7.9118","0.0004","90","","91.095","0.002","90","","1733.6","0.15","123","2","120.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 N8 -","- C40 H40 N8 -","- C80 H80 N16 -","2","0.5","","Hawes, Chris S.; Batten, Stuart R.; Turner, David R.","Self-assembly of discrete and polymeric metallosupramolecular architectures from cyclen-derived ligands","CrystEngComm","2014","16","18","3737","","10.1039/c3ce42141d","","","0.71073","MoKα","","0.0869","0.0538","","","0.1085","0.1228","","","","","","1.036","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214344","21.933","0.004","8.719","0.0017","20.64","0.004","90","","101.83","0.03","90","","3863.2","1.3","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H50 Cl2 N4 O10 -","- C40 H50 Cl2 N4 O10 -","- C160 H200 Cl8 N16 O40 -","4","0.5","","Hawes, Chris S.; Batten, Stuart R.; Turner, David R.","Self-assembly of discrete and polymeric metallosupramolecular architectures from cyclen-derived ligands","CrystEngComm","2014","16","18","3737","","10.1039/c3ce42141d","","","0.7108","Synchrotron","","0.056","0.0532","","","0.1346","0.1374","","","","","","1.07","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214345","9.362","0.0019","15.871","0.003","25.586","0.005","90","","96.64","0.03","90","","3776.2","1.3","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H80 Ag2 Cl2 N16 O8 -","- C80 H80 Ag2 Cl2 N16 O8 -","- C160 H160 Ag4 Cl4 N32 O16 -","2","0.5","","Hawes, Chris S.; Batten, Stuart R.; Turner, David R.","Self-assembly of discrete and polymeric metallosupramolecular architectures from cyclen-derived ligands","CrystEngComm","2014","16","18","3737","","10.1039/c3ce42141d","","","0.7108","Synchrotron","","0.0476","0.0403","","","0.1088","0.1136","","","","","","1.032","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214346","16.298","0.002","16.298","0.002","30.945","0.006","90","","90","","90","","8220","2","100","2","100","","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C80 H88 Cl6 N8 Ni3 O16 -","- C80 H88 Cl6 N8 Ni3 O16 -","- C320 H352 Cl24 N32 Ni12 O64 -","4","","","Hawes, Chris S.; Batten, Stuart R.; Turner, David R.","Self-assembly of discrete and polymeric metallosupramolecular architectures from cyclen-derived ligands","CrystEngComm","2014","16","18","3737","","10.1039/c3ce42141d","","","0.7108","Synchrotron","","0.073","0.0651","","","0.1798","0.1867","","","","","","1.11","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214347","16.353","0.002","16.353","0.002","30.894","0.006","90","","90","","90","","8262","2","100","2","100","","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C80 H88 Cl6 Co3 N8 O16 -","- C80 H88 Cl6 Co3 N8 O16 -","- C320 H352 Cl24 Co12 N32 O64 -","4","","","Hawes, Chris S.; Batten, Stuart R.; Turner, David R.","Self-assembly of discrete and polymeric metallosupramolecular architectures from cyclen-derived ligands","CrystEngComm","2014","16","18","3737","","10.1039/c3ce42141d","","","0.7108","Synchrotron","","0.0876","0.0782","","","0.2101","0.2185","","","","","","1.07","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214348","35.258","0.005","8.7597","0.0015","29.409","0.004","90","","90","","90","","9083","2","123","2","123","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C84 H106 Cl6 Cu5 N8 O23 -","- C84 H96 Cl6 Cu5 N8 O22.96 -","- C336 H384 Cl24 Cu20 N32 O91.84 -","4","0.25","","Hawes, Chris S.; Batten, Stuart R.; Turner, David R.","Self-assembly of discrete and polymeric metallosupramolecular architectures from cyclen-derived ligands","CrystEngComm","2014","16","18","3737","","10.1039/c3ce42141d","","","0.71073","MoKα","","0.1302","0.0754","","","0.1963","0.2311","","","","","","1.032","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214349","7.4198","0.0001","9.8609","0.0001","14.6526","0.0002","90","","90.3167","0.0005","90","","1072.05","0.02","150","","150","","","","","","","","synthesized","4","P 1 21/m 1","-P 2yb","11","","","","- C13 H12 Fe N2 -","- C13 H12 Fe N2 -","- C52 H48 Fe4 N8 -","4","1","","Caballero, Antonio; White, Nicholas G.; Beer, Paul D.","A ferrocene imidazolium-based macrocycle as an electrochemical chemosensor for halide anions","CrystEngComm","2014","16","18","3694","","10.1039/c3ce41851k","","","0.71073","MoKα","","0.0656","0.0358","","0.1085","0.0792","0.1085","","","","","","1.0157","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214350","12.2315","0.0001","12.4402","0.0002","14.9115","0.0002","95.1399","0.0005","101.642","0.0006","117.665","0.0007","1923.8","0.05","150","","150","","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C43 H42 Fe2 I2 N4 O -","- C43 H42 Fe2 I2 N4 O -","- C86 H84 Fe4 I4 N8 O2 -","2","1","","Caballero, Antonio; White, Nicholas G.; Beer, Paul D.","A ferrocene imidazolium-based macrocycle as an electrochemical chemosensor for halide anions","CrystEngComm","2014","16","18","3694","","10.1039/c3ce41851k","","","0.71073","MoKα","","0.036","0.0267","","0.075","0.0656","0.075","","","","","","0.8707","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214351","14.943","0.0006","17.0436","0.0007","26.1853","0.0011","101.948","0.002","97.566","0.002","111.014","0.002","5933.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","CVT-53-B2 bromo pentyl ethylene cavitand","","- C122 H151 Br8 N5 O16 -","- C122 H151 Br8 N5 O16 -","- C244 H302 Br16 N10 O32 -","2","1","","Aakeröy, Christer B.; Chopade, Prashant D.; Quinn, Colette F.; Desper, John","Structure and thermodynamics of a multimeric cavitand assembly","CrystEngComm","2014","16","18","3796","","10.1039/c3ce42447b","","","0.71073","MoKα","","0.0487","0.0337","","","0.0843","0.0906","","","","","","0.989","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214352","12.7536","0.0006","13.7525","0.0007","24.5901","0.0012","105.279","0.002","95.784","0.002","102.12","0.002","4011.7","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","CJ-1 ethano 3-pyridyl CVT, (ethanol)9","","- C170 H222 N8 O25 -","- C170 H222 N8 O25 -","- C170 H222 N8 O25 -","1","0.5","","Aakeröy, Christer B.; Chopade, Prashant D.; Quinn, Colette F.; Desper, John","Structure and thermodynamics of a multimeric cavitand assembly","CrystEngComm","2014","16","18","3796","","10.1039/c3ce42447b","","","0.71073","MoKα","","0.1515","0.0963","","","0.2796","0.3349","","","","","","1.038","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214353","13.321","0.0009","52.697","0.004","16.3401","0.0011","90","","109.773","0.003","90","","10794.1","1.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","P-1-5 [tetra(3-pyridyl) CVT]2, (4-NO2-PhCOOH)8 (PhNO2)5 (H2 O)2","","- C238 H237 N21 O60 -","- C238 H237 N21 O60 -","- C476 H474 N42 O120 -","2","0.5","","Aakeröy, Christer B.; Chopade, Prashant D.; Quinn, Colette F.; Desper, John","Structure and thermodynamics of a multimeric cavitand assembly","CrystEngComm","2014","16","18","3796","","10.1039/c3ce42447b","","","1.54178","CuKα","","0.0755","0.0629","","","0.1685","0.1806","","","","","","1.056","","","","has coordinates,has disorder","301864","2025-08-22","15:14:33",""
"7214354","15.7322","0.0004","24.0717","0.0007","41.3778","0.0012","90","","90","","90","","15669.8","0.8","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C148.7 H226.7 N8.7 O42.1 -","- C149.17 H225.31 N8.68 O42.27 -","- C596.68 H901.24 N34.72 O169.08 -","4","1","","Wierzbicki, Michał; Gilski, Mirosław; Rissanen, Kari; Jaskólski, Mariusz; Szumna, Agnieszka","Experiences with applications of macromolecular tools in supramolecular crystallography","CrystEngComm","2014","16","18","3773","","10.1039/c3ce42288g","","","1.54178","CuKα","","0.1037","0.0995","","","0.2487","0.2519","","","","","","1.161","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214355","15.7322","0.0004","24.0717","0.0007","41.3778","0.0012","90","","90","","90","","15669.8","0.8","148","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C133.5 H197 N8 O37.5 -","- C133.5 H197 N8 O37.5 -","- C534 H788 N32 O150 -","4","1","","Wierzbicki, Michał; Gilski, Mirosław; Rissanen, Kari; Jaskólski, Mariusz; Szumna, Agnieszka","Experiences with applications of macromolecular tools in supramolecular crystallography","CrystEngComm","2014","16","18","3773","","10.1039/c3ce42288g","","","1.54178","CuKα","","0.0815","0.0757","","","0.1964","0.201","","","","","","1.055","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214356","22.0457","0.0007","22.4594","0.0007","23.5621","0.0008","65.687","0.002","82.024","0.002","74.965","0.002","10261","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C436 H556 Cu24 O96 -","- C384 H477 Cu24 O105.5 -","- C384 H477 Cu24 O105.5 -","1","0.5","","Kumari, Harshita; Mossine, Andrew V.; Schuster, Nathaniel J.; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L.","Packing arrangements of copper-seamed C-alkylpyrogallol[4]arene nanocapsules with varying chain lengths","CrystEngComm","2014","16","18","3718","","10.1039/c3ce42412j","","","1.54178","CuKα","","0.1057","0.0903","","","0.2578","0.2783","","","","","","1.016","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214357","13.595","0.005","3.71","0.002","24.063","0.009","90","","100.08","0.018","90","","1194.9","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1:1 pico:sal","","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","1","","Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A.","Can picolinamide be a promising cocrystal former?","CrystEngComm","2014","16","21","4365","","10.1039/c4ce00265b","","","1.54178","CuKα","","0.0612","0.0573","","","0.1221","0.1265","","","","","","1.201","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214358","32.561","0.01","5.078","0.002","20.831","0.006","90","","105.811","0.013","90","","3314","1.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2:1 pico:succ","","","- C16 H18 N4 O6 -","- C16 H18 N4 O6 -","- C128 H144 N32 O48 -","8","1","","Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A.","Can picolinamide be a promising cocrystal former?","CrystEngComm","2014","16","21","4365","","10.1039/c4ce00265b","","","1.54178","CuKα","","0.0471","0.0422","","","0.096","0.1006","","","","","","0.92","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214359","8.479","0.003","4.979","0.002","19.167","0.007","90","","90.083","0.018","90","","809.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2:1 pico:fum","","","- C8 H8 N2 O3 -","- C8 H8 N2 O3 -","- C32 H32 N8 O12 -","4","1","","Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A.","Can picolinamide be a promising cocrystal former?","CrystEngComm","2014","16","21","4365","","10.1039/c4ce00265b","","","1.54178","CuKα","","0.051","0.0465","","","0.1055","0.1093","","","","","","1.2","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214360","7.546","0.002","11.745","0.003","10.595","0.003","90","","90.21","0.013","90","","939","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2:1 pico:adi","","","- C9 H11 N2 O3 -","- C9 H11 N2 O3 -","- C36 H44 N8 O12 -","4","1","","Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A.","Can picolinamide be a promising cocrystal former?","CrystEngComm","2014","16","21","4365","","10.1039/c4ce00265b","","","1.54178","CuKα","","0.0342","0.031","","","0.0824","0.0855","","","","","","1.092","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214361","7.006","0.002","20.51","0.006","9.125","0.003","90","","106.06","0.02","90","","1260","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1:1 pico:adi","","","- C12 H16 N2 O5 -","- C12 H16 N2 O5 -","- C48 H64 N8 O20 -","4","1","","Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A.","Can picolinamide be a promising cocrystal former?","CrystEngComm","2014","16","21","4365","","10.1039/c4ce00265b","","","1.54178","CuKα","","0.0419","0.0334","","","0.0946","0.1083","","","","","","0.498","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214362","21.95","0.02","5.22","0.007","17.26","0.019","90","","118.86","0.05","90","","1732","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2:1 pico:glu","","","- C8.5 H10 N2 O3 -","- C8.5 H10 N2 O3 -","- C68 H80 N16 O24 -","8","1","","Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A.","Can picolinamide be a promising cocrystal former?","CrystEngComm","2014","16","21","4365","","10.1039/c4ce00265b","","","1.54178","CuKα","","0.0838","0.0692","","","0.1777","0.1953","","","","","","1.032","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214363","5.287","0.001","11.163","0.002","19.899","0.004","90","","96.704","0.009","90","","1166.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","pico form I","","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C48 H48 N16 O8 -","8","2","","Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A.","Can picolinamide be a promising cocrystal former?","CrystEngComm","2014","16","21","4365","","10.1039/c4ce00265b","","","1.54178","CuKα","","0.0455","0.0391","","","0.0987","0.1031","","","","","","1.084","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214364","5.39","0.002","9.897","0.003","24.214","0.006","90","","90.699","0.013","90","","1291.6","0.7","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","1:1 pico:man","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","2","","Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A.","Can picolinamide be a promising cocrystal former?","CrystEngComm","2014","16","21","4365","","10.1039/c4ce00265b","","","1.54178","CuKα","","0.0287","0.0271","","","0.0695","0.0708","","","","","","1.066","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214365","5.166","0.001","7.666","0.002","13.086","0.003","74.73","0.011","81.423","0.012","77.409","0.013","485.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","1:1 pico:mal","","","- C9 H10 N2 O5 -","- C9 H10 N2 O5 -","- C18 H20 N4 O10 -","2","1","","Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A.","Can picolinamide be a promising cocrystal former?","CrystEngComm","2014","16","21","4365","","10.1039/c4ce00265b","","","1.54178","CuKα","","0.0335","0.0315","","","0.0859","0.088","","","","","","1.052","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214372","19.2271","0.0004","19.2271","0.0004","10.2751","0.0002","90","","90","","120","","3289.61","0.12","298","2","296","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C24 H30 N4 O3 -","- C24 H30 N4 O3 -","- C144 H180 N24 O18 -","6","0.333333","","Hoque, Md. Najbul; Das, Gopal","Hydrated anion glued capsular and non-capsular assembly of a tripodal host: Solid state recognition of bromide–water [Br5–(H2O)6]5− and iodide–water [I2–(H2O)4]2− clusters in cationic tripodal receptor","CrystEngComm","2014","16","21","4447","","10.1039/c4ce00149d","","","0.71073","MoKα","","0.0379","0.0349","","","0.1059","0.1095","","","","","","0.906","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214373","23.2013","0.0012","11.1503","0.0004","24.7773","0.001","90","","114.561","0.006","90","","5829.9","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H44 F4 N4 O8 -","- C24 H44 F4 N4 O8 -","- C192 H352 F32 N32 O64 -","8","1","","Hoque, Md. Najbul; Das, Gopal","Hydrated anion glued capsular and non-capsular assembly of a tripodal host: Solid state recognition of bromide‒water [Br5‒(H2O)6]5− and iodide‒water [I2‒(H2O)4]2− clusters in cationic tripodal receptor","CrystEngComm","2014","16","21","4447","","10.1039/c4ce00149d","","","0.71073","MoKα","","0.1039","0.078","","","0.2311","0.2563","","","","","","0.98","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214374","12.7399","0.0008","12.7399","0.0008","62.039","0.005","90","","90","","120","","8720.2","1","298","2","298","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C24 H34 Cl4 N4 O3 -","- C24 H34 Cl4 N4 O3 -","- C288 H408 Cl48 N48 O36 -","12","0.333333","","Hoque, Md. Najbul; Das, Gopal","Hydrated anion glued capsular and non-capsular assembly of a tripodal host: Solid state recognition of bromide–water [Br5–(H2O)6]5− and iodide–water [I2–(H2O)4]2− clusters in cationic tripodal receptor","CrystEngComm","2014","16","21","4447","","10.1039/c4ce00149d","","","0.71073","MoKα","","0.0715","0.0478","","","0.1313","0.1497","","","","","","1.004","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214375","11.4963","0.0006","12.2339","0.0006","13.0811","0.0008","111.373","0.005","113.194","0.005","94.457","0.004","1521.27","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H39 Cl4 N4 O5.5 -","- C24 H38 Cl4 N4 O5.5 -","- C48 H76 Cl8 N8 O11 -","2","1","","Hoque, Md. Najbul; Das, Gopal","Hydrated anion glued capsular and non-capsular assembly of a tripodal host: Solid state recognition of bromide‒water [Br5‒(H2O)6]5− and iodide‒water [I2‒(H2O)4]2− clusters in cationic tripodal receptor","CrystEngComm","2014","16","21","4447","","10.1039/c4ce00149d","","","0.71073","MoKα","","0.0682","0.0492","","","0.1656","0.2006","","","","","","0.69","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7214376","12.6464","0.0004","11.5355","0.0004","24.2735","0.0008","90","","104.935","0.002","90","","3421.5","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H44 Br4 N4 O8 -","- C24 H43 Br4 N4 O8 -","- C96 H172 Br16 N16 O32 -","4","1","","Hoque, Md. Najbul; Das, Gopal","Hydrated anion glued capsular and non-capsular assembly of a tripodal host: Solid state recognition of bromide‒water [Br5‒(H2O)6]5− and iodide‒water [I2‒(H2O)4]2− clusters in cationic tripodal receptor","CrystEngComm","2014","16","21","4447","","10.1039/c4ce00149d","","","0.71073","MoKα","","0.0545","0.0353","","","0.1029","0.1205","","","","","","0.887","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214377","12.6814","0.0006","13.0383","0.0006","20.9938","0.001","75.377","0.002","87.245","0.002","88.453","0.002","3354.5","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H37.5 I4 N4 O4.75 -","- C24 H36 I4 N4 O4.75 -","- C96 H144 I16 N16 O19 -","4","2","","Hoque, Md. Najbul; Das, Gopal","Hydrated anion glued capsular and non-capsular assembly of a tripodal host: Solid state recognition of bromide‒water [Br5‒(H2O)6]5− and iodide‒water [I2‒(H2O)4]2− clusters in cationic tripodal receptor","CrystEngComm","2014","16","21","4447","","10.1039/c4ce00149d","","","0.71073","MoKα","","0.0965","0.0677","","","0.1751","0.1946","","","","","","1.112","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7214378","13.656","0.007","23.854","0.014","35.19","0.02","107.825","0.009","90.226","0.012","96.903","0.004","10824","10","113.15","","113.15","","","","","","","","","6","P -1","-P 1","2","","","","- C176 H231 N16 O85.5 P12 Zn18 -","- C176 H180 N16 O85.5 P12 Zn18 -","- C352 H360 N32 O171 P24 Zn36 -","2","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New 2D zinc phosphonates with heptanuclear units, reversible dehydration‒hydration and bright luminescence","CrystEngComm","2014","16","24","5387","","10.1039/c4ce00322e","","","0.71073","MoKα","","0.1026","0.0811","","","0.19","0.2047","","","","","","1.032","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214379","14.909","0.005","18.496","0.006","21.715","0.007","90","","99.53","0.005","90","","5905","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92 H124 N12 O40 P6 Zn9 -","- C92 H104 N12 O40 P6 Zn9 -","- C184 H208 N24 O80 P12 Zn18 -","2","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New 2D zinc phosphonates with heptanuclear units, reversible dehydration‒hydration and bright luminescence","CrystEngComm","2014","16","24","5387","","10.1039/c4ce00322e","","","0.71073","MoKα","","0.0513","0.044","","","0.127","0.1351","","","","","","1.133","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214380","8.0715","0.0007","16","0.0015","3.5454","0.0003","90","","101.255","0.001","90","","449.06","0.07","296","2","296","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Ca4.01 O10 Tb0.99 -","- B3 Ca3.954 O10 Tb1.046 -","- B6 Ca7.908 O20 Tb2.092 -","2","0.5","","Yuan, Dongsheng; Jia, Zhitai; Wang, Jian; Gao, Zeliang; Zhang, Junjie; Fu, Xiuwei; Shu, Jun; Yin, Yanru; Hu, Qiangqiang; Tao, Xutang","Bulk growth, structure, and characterization of the new monoclinic TbCa4O(BO3)3 crystal","CrystEngComm","2014","16","19","4008","","10.1039/c4ce00051j","","","0.71073","MoKα","","0.0327","0.0305","","","0.0838","0.0792","","","","","","1.468","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214381","8.8213","0.0018","9.1383","0.0018","13.398","0.003","86.62","0.03","89.74","0.03","74.37","0.03","1038.2","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H14 Cd N2 O13 S Sm -","- C15 H12 Cd N2 O13 S Sm -","- C30 H24 Cd2 N4 O26 S2 Sm2 -","2","1","","Sun, Yan-Qiong; Liu, Qi; Zhou, Liang-Liang; Chen, Yi-Ping","Ln‒Cd heterometal organic‒inorganic hybrid materials based on diverse Ln‒Cd oxo-cluster chains: syntheses, structures and visible luminescence","CrystEngComm","2014","16","19","3986","","10.1039/c3ce42278j","","","0.71073","MoKα","","0.0677","0.066","","","0.182","0.1845","","","","","","1.097","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214382","8.6945","0.0017","8.9967","0.0018","13.246","0.003","86.66","0.03","89.75","0.03","74.51","0.03","996.7","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H14 Cd Eu N2 O13 S -","- C15 H14 Cd Eu N2 O13 S -","- C30 H28 Cd2 Eu2 N4 O26 S2 -","2","1","","Sun, Yan-Qiong; Liu, Qi; Zhou, Liang-Liang; Chen, Yi-Ping","Ln‒Cd heterometal organic‒inorganic hybrid materials based on diverse Ln‒Cd oxo-cluster chains: syntheses, structures and visible luminescence","CrystEngComm","2014","16","19","3986","","10.1039/c3ce42278j","","","0.71073","MoKα","","0.0571","0.0471","","","0.1224","0.1345","","","","","","1.101","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214383","9.6399","0.0019","9.924","0.002","22.078","0.004","90","","91.64","0.03","90","","2111.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Cd2 Eu N4 O13 -","- C14 H13 Cd2 Eu N4 O13 -","- C56 H52 Cd8 Eu4 N16 O52 -","4","1","","Sun, Yan-Qiong; Liu, Qi; Zhou, Liang-Liang; Chen, Yi-Ping","Ln‒Cd heterometal organic‒inorganic hybrid materials based on diverse Ln‒Cd oxo-cluster chains: syntheses, structures and visible luminescence","CrystEngComm","2014","16","19","3986","","10.1039/c3ce42278j","","","0.71073","MoKα","","0.0366","0.0298","","","0.069","0.072","","","","","","0.997","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214384","6.052","0.006","4.919","0.005","36.98","0.03","90","","94.115","0.004","90","","1098","1.8","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 N3 O -","- C14 H9 N3 O -","- C56 H36 N12 O4 -","4","1","","Mutai, Toshiki; Shono, Hideaki; Shigemitsu, Yasuhiro; Araki, Koji","Three-color polymorph-dependent luminescence: crystallographic analysis and theoretical study on excited-state intramolecular proton transfer (ESIPT) luminescence of cyano-substituted imidazo[1,2-a]pyridine","CrystEngComm","2014","16","19","3890","","10.1039/c3ce42627k","","","0.7107","MoKα","","0.1193","0.0754","","","0.191","0.2201","","","","","","0.938","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214385","13.654","0.006","7.343","0.003","14.2","0.006","90","","130.054","0.002","90","","1089.8","0.8","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 N3 O -","- C14 H9 N3 O -","- C56 H36 N12 O4 -","4","1","","Mutai, Toshiki; Shono, Hideaki; Shigemitsu, Yasuhiro; Araki, Koji","Three-color polymorph-dependent luminescence: crystallographic analysis and theoretical study on excited-state intramolecular proton transfer (ESIPT) luminescence of cyano-substituted imidazo[1,2-a]pyridine","CrystEngComm","2014","16","19","3890","","10.1039/c3ce42627k","","","0.7107","MoKα","","0.0416","0.0334","","","0.0922","0.0963","","","","","","1.097","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214386","3.8196","0.001","11.356","0.003","25.246","0.007","90","","93.196","0.001","90","","1093.4","0.5","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 N3 O -","- C14 H9 N3 O -","- C56 H36 N12 O4 -","4","1","","Mutai, Toshiki; Shono, Hideaki; Shigemitsu, Yasuhiro; Araki, Koji","Three-color polymorph-dependent luminescence: crystallographic analysis and theoretical study on excited-state intramolecular proton transfer (ESIPT) luminescence of cyano-substituted imidazo[1,2-a]pyridine","CrystEngComm","2014","16","19","3890","","10.1039/c3ce42627k","","","0.7107","MoKα","","0.0706","0.0591","","","0.1298","0.1328","","","","","","0.929","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214387","6.9166","0.0001","8.1526","0.0005","19.4288","0.0011","83.25","0.005","84.511","0.003","71.107","0.003","1027.41","0.09","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H32 As F6 S16 -","- C28 H32 As F6 S16 -","- C28 H32 As F6 S16 -","1","1","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0588","0.0418","","","0.0941","0.1021","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214388","6.9129","0.0005","8.1497","0.0003","19.4274","0.0009","83.261","0.005","84.544","0.005","71.107","0.004","1026.48","0.1","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H32 As F6 S16 -","- C28 H32 As F6 S16 -","- C28 H32 As F6 S16 -","1","1","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0468","0.0376","","","0.0912","0.0962","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214389","6.8912","0.0003","8.1537","0.0004","19.392","0.0006","83.68","0.003","84.452","0.004","70.835","0.003","1020.84","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 As F6 S16 -","- C28 H32 As F6 S16 -","- C28 H32 As F6 S16 -","1","0.5","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0529","0.0389","","","0.0951","0.1013","","","","","","1.03","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214390","6.8834","0.0005","8.2494","0.0004","19.4622","0.0013","84.137","0.006","84.642","0.006","71.382","0.005","1039.66","0.12","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H32 F6 S16 Sb -","- C28 H32 F6 S16 Sb -","- C28 H32 F6 S16 Sb -","1","1","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0502","0.039","","","0.0894","0.0948","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214391","6.8792","0.0002","8.2487","0.0004","19.453","0.0012","84.123","0.004","84.581","0.005","71.299","0.003","1037.85","0.09","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H32 F6 S16 Sb -","- C28 H32 F6 S16 Sb -","- C28 H32 F6 S16 Sb -","1","1","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0378","0.0332","","","0.0851","0.088","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214392","6.872","0.0006","8.2521","0.0004","19.4369","0.0012","84.441","0.004","84.474","0.005","71.056","0.005","1035.17","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 F6 S16 Sb -","- C28 H32 F6 S16 Sb -","- C28 H32 F6 S16 Sb -","1","0.5","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.04","0.033","","","0.0875","0.0909","","","","","","1.08","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214393","6.4428","0.0003","13.612","0.002","11.8759","0.0012","90","","91.722","0.005","90","","1041.04","0.19","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","(R)-TMBEDT axial","","","- C14 H16 S8 -","- C14 H16 S8 -","- C28 H32 S16 -","2","1","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0733","0.0405","","","0.0926","0.1077","","","","","","1.05","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214394","7.3179","0.0005","7.7876","0.0007","26.499","0.002","85.239","0.003","84.402","0.003","68.304","0.004","1394.67","0.19","150","2","150","2","","","","","","","","4","P 1","P 1","1","","S,S,S,S-TMET.TCNQ (from 1,1,2-trichloroethane)","","- C26 H20 N4 S8 -","- C26 H20 N4 S8 -","- C52 H40 N8 S16 -","2","2","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0541","0.0494","","","0.125","0.1287","","","","","","1.063","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214395","7.318","0.0001","7.8325","0.0001","28.2325","0.0006","94.287","0.001","95.535","0.001","110.993","0.001","1493.34","0.04","120","2","120","2","","","","","","","","5","P 1","P 1","1","","S,S,S,S-TMET.TCNQ.0.5THF","","- C56 H48 N8 O S16 -","- C56 H48 N8 O S16 -","- C56 H48 N8 O S16 -","1","1","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0493","0.0403","","","0.0834","0.0882","","","","","","1.035","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214396","8.4889","0.0002","13.7156","0.0002","14.0914","0.0003","110.844","0.001","100.807","0.001","107.048","0.001","1385.53","0.05","120","2","120","2","","","","","","","","5","P 1","P 1","1","","S,S,S,S -Tetramethyl-BEDT-TTF.TCNQ-F4 complex","","- C26 H16 F4 N4 S8 -","- C26 H16 F4 N4 S8 -","- C52 H32 F8 N8 S16 -","2","2","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0429","0.0367","","","0.0823","0.087","","","","","","1.02","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214397","13.4068","0.0004","5.1484","0.0001","22.4161","0.0006","90","","101.16","0.001","90","","1517.98","0.07","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","S,S,S,S Bis(pentane-2,4-dithio)TTF.tetrafluoro-TCNQ","","- C28 H20 F4 N4 S8 -","- C28 H20 F4 N4 S8 -","- C56 H40 F8 N8 S16 -","2","1","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0486","0.0412","","","0.0962","0.1003","","","","","","1.036","","","","has coordinates,has disorder","301864","2025-08-22","15:14:33",""
"7214398","5.6084","0.0004","8.6087","0.0007","27.868","0.002","90","","90.489","0.004","90","","1345.45","0.17","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(ethylenedithio)(2S,4S-pentane-2,4-dithio)TTF. tetrafluoro-TCNQ molecular complex","","- C25 H14 F4 N4 S8 -","- C25 H14 F4 N4 S8 -","- C50 H28 F8 N8 S16 -","2","1","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0726","0.0504","","","0.1136","0.1254","","","","","","1.058","","","","has coordinates,has disorder","301864","2025-08-22","15:14:33",""
"7214399","16.397","0.003","18.642","0.003","7.9656","0.0013","90","","90","","90","","2434.9","0.7","291","2","291","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C35 H36 N4 O12 Zn2 -","- C35 H36 N4 O12 Zn2 -","- C70 H72 N8 O24 Zn4 -","2","0.5","","Ju, Zemin; Cao, Dapeng; Qin, Ling; Zhang, Chuanlei; Zhang, Mingdao; Shi, Zhiqiang; Zheng, Hegen","Syntheses, characterization, and properties of five coordination compounds based on the ligand tetrakis(4-pyridyloxymethylene)methane","CrystEngComm","2014","16","19","3917","","10.1039/c3ce42477d","","","0.71073","MoKα","","0.0564","0.0528","","","0.1338","0.1366","","","","","","1.044","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214400","15.4019","0.001","15.4019","0.001","8.4768","0.0011","90","","90","","90","","2010.9","0.3","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C37 H48 Cu2 N4 O16 -","- C37 H48 Cu2 N4 O16 -","- C74 H96 Cu4 N8 O32 -","2","0.25","","Ju, Zemin; Cao, Dapeng; Qin, Ling; Zhang, Chuanlei; Zhang, Mingdao; Shi, Zhiqiang; Zheng, Hegen","Syntheses, characterization, and properties of five coordination compounds based on the ligand tetrakis(4-pyridyloxymethylene)methane","CrystEngComm","2014","16","19","3917","","10.1039/c3ce42477d","","","0.71073","MoKα","","0.0941","0.0748","","","0.1689","0.1792","","","","","","1.027","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214401","32.119","0.003","12.8479","0.001","20.8244","0.0016","90","","90","","90","","8593.4","1.2","291","2","291","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C33 H34 N6 O14 Zn2 -","- C33 H34 N6 O14 Zn2 -","- C264 H272 N48 O112 Zn16 -","8","0.5","","Ju, Zemin; Cao, Dapeng; Qin, Ling; Zhang, Chuanlei; Zhang, Mingdao; Shi, Zhiqiang; Zheng, Hegen","Syntheses, characterization, and properties of five coordination compounds based on the ligand tetrakis(4-pyridyloxymethylene)methane","CrystEngComm","2014","16","19","3917","","10.1039/c3ce42477d","","","0.71073","MoKα","","0.0612","0.056","","","0.1495","0.1509","","","","","","1.063","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214402","17.334","0.002","9.2474","0.001","20.562","0.002","90","","108.815","0.004","90","","3119.9","0.6","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H32 N4 Ni O12 -","- C29 H32 N4 Ni O12 -","- C116 H128 N16 Ni4 O48 -","4","0.5","","Ju, Zemin; Cao, Dapeng; Qin, Ling; Zhang, Chuanlei; Zhang, Mingdao; Shi, Zhiqiang; Zheng, Hegen","Syntheses, characterization, and properties of five coordination compounds based on the ligand tetrakis(4-pyridyloxymethylene)methane","CrystEngComm","2014","16","19","3917","","10.1039/c3ce42477d","","","0.71073","MoKα","","0.0453","0.0427","","","0.1205","0.1221","","","","","","1.123","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214403","11.4622","0.0015","9.4091","0.0012","22.611","0.003","90","","91.698","0.002","90","","2437.5","0.6","291","2","291","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C41 H60 Cd2 N4 O20 -","- C41 H60 Cd2 N4 O20 -","- C82 H120 Cd4 N8 O40 -","2","0.5","","Ju, Zemin; Cao, Dapeng; Qin, Ling; Zhang, Chuanlei; Zhang, Mingdao; Shi, Zhiqiang; Zheng, Hegen","Syntheses, characterization, and properties of five coordination compounds based on the ligand tetrakis(4-pyridyloxymethylene)methane","CrystEngComm","2014","16","19","3917","","10.1039/c3ce42477d","","","0.71073","MoKα","","0.0554","0.0459","","","0.1212","0.1302","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214404","15.355","0.005","6.908","0.002","32.838","0.011","90","","99.157","0.005","90","","3438.8","1.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H27 Er N6 O6 -","- C42 H27 Er N6 O6 -","- C168 H108 Er4 N24 O24 -","4","1","","Li, Teng; Hong, Xu-Jia; Liu, Xiang; Chen, Rong; Zhan, Qing-Guang; Xu, Xuan; Cai, Yue-Peng","Construction of three pH-dependent luminescent metal‒organic frameworks with 3-(4-carboxyphen-yl)-1,3-benzoimidazole","CrystEngComm","2014","16","19","3883","","10.1039/c4ce00125g","","","0.71073","MoKα","","0.1102","0.066","","","0.1498","0.1704","","","","","","1.053","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214405","11.359","0.003","14.308","0.006","18.162","0.007","90","","127.87","0.02","90","","2330.1","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 N4 O4 Zn -","- C28 H18 N4 O4 Zn -","- C112 H72 N16 O16 Zn4 -","4","1","","Li, Teng; Hong, Xu-Jia; Liu, Xiang; Chen, Rong; Zhan, Qing-Guang; Xu, Xuan; Cai, Yue-Peng","Construction of three pH-dependent luminescent metal‒organic frameworks with 3-(4-carboxyphen-yl)-1,3-benzoimidazole","CrystEngComm","2014","16","19","3883","","10.1039/c4ce00125g","","","0.71073","MoKα","","0.1549","0.0573","","","0.0963","0.133","","","","","","1.05","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214406","18.884","0.0017","18.884","0.0017","22.448","0.003","90","","90","","90","","8005.1","1.5","298","2","298","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C56 H72 Cl6 Er4 N8 O44 Zn -","- C56 H64 Cl6 Er4 N8 O44 Zn -","- C224 H256 Cl24 Er16 N32 O176 Zn4 -","4","0.25","","Li, Teng; Hong, Xu-Jia; Liu, Xiang; Chen, Rong; Zhan, Qing-Guang; Xu, Xuan; Cai, Yue-Peng","Construction of three pH-dependent luminescent metal‒organic frameworks with 3-(4-carboxyphen-yl)-1,3-benzoimidazole","CrystEngComm","2014","16","19","3883","","10.1039/c4ce00125g","","","0.71073","MoKα","","0.1133","0.0613","","","0.1418","0.169","","","","","","1.138","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214407","5.116","0.0004","5.1957","0.0004","19.5042","0.0016","90.704","0.002","93.362","0.002","91.346","0.002","517.36","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF 312 (4-pyridyl)-CONH-(CH2)4-NHCO-(4-pyridyl), HOOC-(CH2)4-COOH","","- C22 H28 N4 O6 -","- C22 H28 N4 O6 -","- C22 H28 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.0437","0.0375","","","0.1069","0.1132","","","","","","1.057","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214408","5.1221","0.0004","5.2045","0.0004","21.5019","0.0014","94.963","0.002","95.404","0.002","91.63","0.002","568.12","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF313 (4-pyridyl)-CONH-(CH2)4-NHCO-(4-pyridyl) HOOC-(CH2)6-COOH","","- C24 H32 N4 O6 -","- C24 H32 N4 O6 -","- C24 H32 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.0529","0.0429","","","0.1227","0.1303","","","","","","1.064","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214409","5.1072","0.0004","5.1171","0.0004","22.119","0.002","96.134","0.006","94.037","0.006","91.34","0.006","573.05","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF11 (4-pyridyl-CONH-(CH2)8-NHCO-(4-pyridyl), succinic acid","","- C24 H32 N4 O6 -","- C24 H32 N4 O6 -","- C24 H32 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.0597","0.0471","","","0.1143","0.123","","","","","","1.032","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214410","5.1403","0.0003","5.2489","0.0003","22.9829","0.0015","93.859","0.004","95.267","0.004","91.289","0.004","615.82","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Adip+A44 4-pyridyl-CONH-(CH2)8-NHCO-4-pyridyl, HOOC-(CH2)8-COOH","","- C26 H36 N4 O6 -","- C26 H36 N4 O6 -","- C26 H36 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.057","0.0402","","","0.1061","0.1154","","","","","","1.045","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214411","5.142","0.0004","5.2541","0.0004","24.624","0.002","89.785","0.004","87.095","0.004","88.59","0.004","664.2","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","A44-Sub 4-pyridyl-CONH-(CH2)8-NHCO-4-pyridyl, HOOC-(CH2)6-COOH","","- C28 H40 N4 O6 -","- C28 H40 N4 O6 -","- C28 H40 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.0706","0.0473","","","0.123","0.1384","","","","","","1.005","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214412","5.1264","0.0006","5.2432","0.0006","26.127","0.003","85.874","0.004","89.354","0.004","88.356","0.004","700.12","0.14","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF 305 (4-pyridyl)-CONH-(CH2)8-NHCO-(4-pyridyl), HOOC-(CH2)8-COOH","","- C30 H44 N4 O6 -","- C30 H44 N4 O6 -","- C30 H44 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.0956","0.0614","","","0.1655","0.1827","","","","","","1.084","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214413","5.0275","0.0006","6.9253","0.0009","16.058","0.002","89.749","0.006","81.536","0.005","80.893","0.006","545.93","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","C44-Succ 4-pyridyl-CONH-(CH2)6-NHCO-4-pyridyl, succinic acid","","- C22 H28 N4 O6 -","- C22 H28 N4 O6 -","- C22 H28 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.0533","0.0431","","","0.1222","0.1305","","","","","","1.041","","","","has coordinates,has disorder","301864","2025-08-22","15:14:33",""
"7214414","5.0282","0.0006","6.7877","0.0008","17.522","0.002","98.124","0.003","97.604","0.003","94.605","0.003","583.82","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF 300 (3-pyridyl)-COHN-(CH2)6-NHCO-(3-pyridyl), HOOC-(CH2)4-COOH","","- C24 H32 N4 O6 -","- C24 H32 N4 O6 -","- C24 H32 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.0688","0.0487","","","0.127","0.14","","","","","","1.084","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214415","5.1671","0.0013","11.646","0.003","11.779","0.004","67.873","0.011","80.585","0.012","79.827","0.012","642.6","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","SF 301 (3-pyridyl)-CONH-(CH2)-6-NHCO-(3-pyridyl), HOOC-(CH2)6-COOH","","- C26 H36 N4 O6 -","- C26 H36 N4 O6 -","- C26 H36 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.1002","0.0563","","","0.1407","0.1599","","","","","","1.07","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214416","4.9817","0.0004","6.8634","0.0006","20.0493","0.0016","93.097","0.004","90.233","0.004","98.285","0.004","677.32","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF 274 3-pyridyl-CONH-(CH2)6-NHCO-3-pyridyl, HOOC-(CH2)8-COOH","","- C28 H40 N4 O6 -","- C28 H40 N4 O6 -","- C28 H40 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.0676","0.0517","","","0.1446","0.1571","","","","","","1.091","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214417","4.9821","0.0004","6.8797","0.0006","21.441","0.0017","87.936","0.006","86.223","0.006","81.469","0.005","724.93","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF10 3-pyridyl-CONH-(CH2)6-NHCO-3-pyridyl, HOOC-(CH2)10-COOH","","- C30 H44 N4 O6 -","- C30 H44 N4 O6 -","- C30 H44 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.0854","0.051","","","0.1297","0.1478","","","","","","1.017","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214418","8.2633","0.0003","7.3098","0.0003","5.5317","0.0002","90","","99.088","0.003","90","","329.94","0.02","180","","180","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","ethylamine","","- C2 H7 N -","- C2 H7 N -","- C8 H28 N4 -","4","1","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.0424","0.0375","","0.0854","0.0834","0.0854","","","","","","0.925","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214419","8.9742","0.00018","5.21927","0.00008","7.40243","0.00016","90","","112.972","0.0013","90","","319.224","0.011","150","","150","","","","","","","","Aldrich","3","P 1 21/c 1","-P 2ybc","14","ethylamine","ethylamine","","- C2 H7 N -","- C2 H7 N -","- C8 H28 N4 -","4","1","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","powder diffraction","","1.5406","CuKα1","","","","","","","","","","","","","","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214420","23.287","0.0013","6.2354","0.0004","5.9794","0.0004","90","","90","","90","","868.23","0.09","150","","150","","","","","","","","Aldrich","3","P b c n","-P 2n 2ab","60","","propylamine","","- C3 H9 N -","- C3 H9 N -","- C24 H72 N8 -","8","1","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.0777","0.0598","","0.1494","0.1337","0.1494","","","","","","0.9898","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214421","26.7852","0.0008","6.8166","0.0002","5.6703","0.0002","90","","90","","90","","1035.31","0.06","150","","150","","","","","","","","Aldrich","3","P b c n","-P 2n 2ab","60","","Butylamine","","- C4 H11 N -","- C4 H11 N -","- C32 H88 N8 -","8","1","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.0562","0.0471","","0.1423","0.1219","0.1423","","","","","","1.105","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214422","33.546","0.004","6.4878","0.0008","5.7295","0.0007","90","","90","","90","","1247","0.3","150","","150","","","","","","","","Aldrich","3","P b c n","-P 2n 2ab","60","","pentylamine","","- C5 H13 N -","- C5 H13 N -","- C40 H104 N8 -","8","1","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.1555","0.0612","","0.1959","0.1373","0.1959","","","","","","0.9616","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214423","6.9725","0.0003","17.7977","0.0006","5.6105","0.0002","90","","90","","90","","696.23","0.05","150","","150","","","","","","","","Aldrich","3","P c a 21","P 2c -2ac","29","","hexylamine","","- C6 H15 N -","- C6 H15 N -","- C24 H60 N4 -","4","1","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.0504","0.0418","","0.1078","0.0969","0.1078","","","","","","1.0087","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214424","5.5669","0.0005","41.7","0.004","6.9982","0.0007","90","","90","","90","","1624.6","0.3","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","heptylamine","","- C7 H17 N -","- C7 H17 N -","- C56 H136 N8 -","8","2","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.1758","0.0745","","0.3126","0.2017","0.3126","","","","","","1.088","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214425","7.0309","0.0005","22.3077","0.0015","5.5826","0.0004","90","","90","","90","","875.59","0.11","150","","150","","","","","","","","Aldrich","3","P c a 21","P 2c -2ac","29","","octylamine","","- C8 H19 N -","- C8 H19 N -","- C32 H76 N4 -","4","1","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.055","0.0536","","0.1084","0.1062","0.1084","","","","","","1.0043","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214426","5.5458","0.0002","50.6527","0.0017","7.0521","0.0002","90","","90.04","0.002","90","","1981","0.11","150","","150","","","","","","","","Aldrich","3","P 1 21/c 1","-P 2ybc","14","","nonylamine","","- C9 H21 N -","- C9 H21 N -","- C72 H168 N8 -","8","2","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.0924","0.0369","","0.1425","0.0946","0.1425","","","","","","0.8769","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214427","7.066","0.0004","26.8352","0.0015","5.573","0.0003","90","","90","","90","","1056.74","0.1","150","","150","","","","","","","","Aldrich","3","P c a 21","P 2c -2ac","29","","decylamine","","- C10 H23 N -","- C10 H23 N -","- C40 H92 N4 -","4","1","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.0592","0.0536","","0.1229","0.1187","0.1229","","","","","","0.9762","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214428","6.065","0.003","4.463","0.002","11.55","0.006","90","","90.081","0.006","90","","312.6","0.3","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- B3 Be4 K O9 -","- B3 Be4 K O9 -","- B6 Be8 K2 O18 -","2","0.5","","Wang, Shichao; Ye, Ning; Zou, Guohong","A new alkaline beryllium borate KBe4B3O9 with ribbon alveolate [Be2BO5]∞ layers and the structural evolution of ABe4B3O9(A = K, Rb and Cs)","CrystEngComm","2014","16","19","3971","","10.1039/c4ce00085d","","","0.71073","MoKα","","0.02","0.0194","","","0.0544","0.0548","","","","","","1.131","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214429","12.443","0.002","6.5577","0.0011","21.666","0.003","90","","93.151","0.002","90","","1765.2","0.5","293","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-bis((tert-butylsulfinyl)methyl)benzene","","- C16 H26 O2 S2 -","- C16 H26 O2 S2 -","- C64 H104 O8 S8 -","4","1","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71073","MoKα","","0.0813","0.0573","","","0.1502","0.1645","","","","","","1.062","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214430","8.2584","0.0014","10.6118","0.0018","11.751","0.002","67.631","0.002","72.609","0.002","69.331","0.002","874.8","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,2-bis((tert-butylthio)methyl)benzene","","- C16 H26 S2 -","- C16 H26 S2 -","- C32 H52 S4 -","2","1","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71073","MoKα","","0.0745","0.0453","","","0.1133","0.1319","","","","","","1.009","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214431","10.4014","0.0017","11.1506","0.0018","15.433","0.003","90","","90","","90","","1789.9","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2-bis((tert-butylsulfinyl)methyl)benzene","","- C16 H26 O2 S2 -","- C16 H26 O2 S2 -","- C64 H104 O8 S8 -","4","1","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71073","MoKα","","0.1443","0.0547","","","0.0585","0.0721","","","","","","1.041","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214432","5.985","0.004","10.346","0.007","27.985","0.018","90","","90.592","0.009","90","","1733","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-bis((tert-butylsulfinyl)methyl)benzene","","- C16 H26 O2 S2 -","- C16 H26 O2 S2 -","- C64 H104 O8 S8 -","4","1","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71073","MoKα","","0.1749","0.1103","","","0.2965","0.3307","","","","","","1.025","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214433","6.171","0.005","12.078","0.005","12.267","0.005","76.243","0.005","80.572","0.005","77.97","0.005","862.3","0.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,4-bis((tert-butylthio)methyl)benzene","","- C16 H26 S2 -","- C16 H26 S2 -","- C32 H52 S4 -","2","1","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71069","MoKα","","0.1041","0.0732","","","0.2064","0.2324","","","","","","1.086","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214434","5.927","0.005","6.623","0.005","11.219","0.005","80.046","0.005","89.205","0.005","84.973","0.005","432.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,4-bis((tert-butylsulfinyl)methyl)benzene","","- C16 H26 O2 S2 -","- C16 H26 O2 S2 -","- C16 H26 O2 S2 -","1","0.5","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71069","MoKα","","0.0638","0.0562","","","0.1662","0.1758","","","","","","1.034","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214435","6.3438","0.0018","10.203","0.003","14.767","0.004","108.771","0.004","97.042","0.004","93.17","0.004","893.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","alpha,alpha'-tert-butylsulfinyl-m-xylene","","- C16 H26 O2 S2 -","- C16 H26 O2 S2 -","- C32 H52 O4 S4 -","2","1","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71073","MoKα","","0.1101","0.0576","","","0.1395","0.1667","","","","","","1.043","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214436","12.418","0.005","6.541","0.002","21.609","0.008","90","","93.212","0.006","90","","1752.5","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","alpha,alpha'-tert-butylsulfinyl-m-xylene","","- C16 H26 O2 S2 -","- C16 H26 O2 S2 -","- C64 H104 O8 S8 -","4","1","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71073","MoKα","","0.1968","0.0841","","","0.222","0.2771","","","","","","0.963","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214437","11.94","0.007","19.051","0.01","9.493","0.005","90","","124.504","0.007","90","","1779.5","1.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,2-bis((tert-butylsulfinyl)methyl)benzene","","- C16 H26 O2 S2 -","- C16 H26 O2 S2 -","- C64 H104 O8 S8 -","4","0.5","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71073","MoKα","","0.1811","0.0586","","","0.1071","0.1419","","","","","","0.926","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214438","10.4267","0.0016","15.449","0.002","11.1546","0.0018","90","","90","","90","","1796.8","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R,S)-1,2-bis((tert-butylsulfinyl)methyl)benzene","","- C16 H26 O2 S2 -","- C16 H26 O2 S2 -","- C64 H104 O8 S8 -","4","1","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71073","MoKα","","0.2124","0.0945","","","0.0813","0.1018","","","","","","1.003","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214439","25.3961","0.0009","25.3961","0.0009","25.3961","0.0009","90","","90","","90","","16379.5","1","173","2","173","2","","","","","","","","5","F 2 3","F 2 2 3","196","","","","- C32 H35 Cd N9 O6 -","- C27 H22 Cd N7 O -","- C432 H352 Cd16 N112 O16 -","16","0.333333","","Yuan, Shuai; Deng, Yong-Kai; Xuan, Wei-Min; Wang, Xing-Po; Wang, Su-Na; Dou, Jian-Min; Sun, Di","Spontaneous chiral resolution of a 3D (3,12)-connected MOF with an unprecedented ttt topology consisting of cubic [Cd4(μ3-OH)4] clusters and propeller-like ligands","CrystEngComm","2014","16","19","3829","","10.1039/c4ce00028e","","","0.71073","MoKα","","0.0955","0.0689","","","0.1884","0.2091","","","","","","0.809","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214440","25.704","0.003","25.704","0.003","25.704","0.003","90","","90","","90","","16983","3","120","2","120","2","","","","","","","","5","F 2 3","F 2 2 3","196","","","","- C32 H35 Cd N9 O6 -","- C27 H22 Cd N7 O -","- C432 H352 Cd16 N112 O16 -","16","0.333333","","Yuan, Shuai; Deng, Yong-Kai; Xuan, Wei-Min; Wang, Xing-Po; Wang, Su-Na; Dou, Jian-Min; Sun, Di","Spontaneous chiral resolution of a 3D (3,12)-connected MOF with an unprecedented ttt topology consisting of cubic [Cd4(μ3-OH)4] clusters and propeller-like ligands","CrystEngComm","2014","16","19","3829","","10.1039/c4ce00028e","","","0.71073","MoKα","","0.0811","0.0529","","","0.1259","0.1337","","","","","","0.836","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214441","3.7068","0.001","13.382","0.003","18.423","0.005","98.732","0.004","93.699","0.004","95.739","0.004","895.8","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","2,2'-Bipyridinium picrate mono-acetonitrile solvate","","- C18 H14 N6 O7 -","- C18 H14 N6 O7 -","- C36 H28 N12 O14 -","2","1","","Chan, Eric J.; Grabowsky, Simon; Harrowfield, Jack M.; Shi, Ming W.; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Hirshfeld surface analysis of crystal packing in aza-aromatic picrate salts","CrystEngComm","2014","16","21","4508","","10.1039/c4ce00095a","","","0.71073","MoKα","","0.0808","0.0584","","","0.1871","0.2008","","","","","","1.107","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214442","17.8023","0.001","15.2063","0.0009","20.3551","0.0012","90","","102.331","0.001","90","","5383.1","0.5","170","2","170","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Morpholinium picrate hemihydrate","","- C10 H13 N4 O8.5 -","- C10 H13 N4 O8.5 -","- C160 H208 N64 O136 -","16","2","","Chan, Eric J.; Grabowsky, Simon; Harrowfield, Jack M.; Shi, Ming W.; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Hirshfeld surface analysis of crystal packing in aza-aromatic picrate salts","CrystEngComm","2014","16","21","4508","","10.1039/c4ce00095a","","","0.71073","MoKα","","0.088","0.0594","","","0.1472","0.1657","","","","","","1.013","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214443","13.509","0.005","7.028","0.003","18.804","0.007","90","","98.116","0.006","90","","1767.4","1.2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,10-Phenanthrolinium picrate","","- C18 H11 N5 O7 -","- C18 H11 N5 O7 -","- C72 H44 N20 O28 -","4","1","","Chan, Eric J.; Grabowsky, Simon; Harrowfield, Jack M.; Shi, Ming W.; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Hirshfeld surface analysis of crystal packing in aza-aromatic picrate salts","CrystEngComm","2014","16","21","4508","","10.1039/c4ce00095a","","","0.71073","MoKα","","0.0863","0.0528","","","0.1297","0.1424","","","","","","1.045","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214444","8.27","0.0005","10.6206","0.0006","11.4612","0.0007","82.126","0.001","86.883","0.001","71.856","0.001","947.52","0.1","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","2,2':6',2''-Terpyridinium picrate","","- C21 H14 N6 O7 -","- C21 H14 N6 O7 -","- C42 H28 N12 O14 -","2","1","","Chan, Eric J.; Grabowsky, Simon; Harrowfield, Jack M.; Shi, Ming W.; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Hirshfeld surface analysis of crystal packing in aza-aromatic picrate salts","CrystEngComm","2014","16","21","4508","","10.1039/c4ce00095a","","","0.71073","MoKα","","0.074","0.0513","","","0.1302","0.1489","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214445","8.2754","0.0016","10.872","0.002","11.452","0.002","98.064","0.004","104.517","0.003","102.449","0.004","953.2","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","2,9-Dimethyl-1,10-phenanthrolinium picrate","","- C20 H15 N5 O7 -","- C20 H15 N5 O7 -","- C40 H30 N10 O14 -","2","1","","Chan, Eric J.; Grabowsky, Simon; Harrowfield, Jack M.; Shi, Ming W.; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Hirshfeld surface analysis of crystal packing in aza-aromatic picrate salts","CrystEngComm","2014","16","21","4508","","10.1039/c4ce00095a","","","0.71073","MoKα","","0.1046","0.0578","","","0.1408","0.1681","","","","","","0.998","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214446","6.5862","0.0005","16.8945","0.0013","17.1437","0.0014","90","","99.306","0.002","90","","1882.5","0.3","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Piperidinium picrate mono-piperidine solvate","","- C16 H25 N5 O7 -","- C16 H25 N5 O7 -","- C64 H100 N20 O28 -","4","1","","Chan, Eric J.; Grabowsky, Simon; Harrowfield, Jack M.; Shi, Ming W.; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Hirshfeld surface analysis of crystal packing in aza-aromatic picrate salts","CrystEngComm","2014","16","21","4508","","10.1039/c4ce00095a","","","0.71073","MoKα","","0.1057","0.0584","","","0.1405","0.1659","","","","","","0.988","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214447","8.191","0.003","11.869","0.004","13.953","0.005","86.255","0.005","82.754","0.006","80.752","0.005","1326.8","0.8","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","2-Methylpyridinium picrate","","- C12 H10 N4 O7 -","- C12 H10 N4 O7 -","- C48 H40 N16 O28 -","4","2","","Chan, Eric J.; Grabowsky, Simon; Harrowfield, Jack M.; Shi, Ming W.; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Hirshfeld surface analysis of crystal packing in aza-aromatic picrate salts","CrystEngComm","2014","16","21","4508","","10.1039/c4ce00095a","","","0.71073","MoKα","","0.0904","0.0596","","","0.1488","0.1643","","","","","","1.084","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214448","8.259","0.002","9.243","0.002","19.849","0.005","90","","91.282","0.004","90","","1514.9","0.6","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8-Hydroxyquinolinium picrate","","- C15 H10 N4 O8 -","- C15 H10 N4 O8 -","- C60 H40 N16 O32 -","4","1","","Chan, Eric J.; Grabowsky, Simon; Harrowfield, Jack M.; Shi, Ming W.; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Hirshfeld surface analysis of crystal packing in aza-aromatic picrate salts","CrystEngComm","2014","16","21","4508","","10.1039/c4ce00095a","","","0.71073","MoKα","","0.0668","0.048","","","0.1204","0.1331","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214449","9.1996","0.0011","14.6492","0.0018","13.1834","0.0016","90","","108.918","0.002","90","","1680.7","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(2-pyridyl)ammonium picrate","","- C16 H12 N6 O7 -","- C16 H12 N6 O7 -","- C64 H48 N24 O28 -","4","1","","Chan, Eric J.; Grabowsky, Simon; Harrowfield, Jack M.; Shi, Ming W.; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Hirshfeld surface analysis of crystal packing in aza-aromatic picrate salts","CrystEngComm","2014","16","21","4508","","10.1039/c4ce00095a","","","0.71073","MoKα","","0.0803","0.0594","","","0.1502","0.1684","","","","","","0.917","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214450","9.1747","0.0006","9.2567","0.0006","10.6372","0.0007","84.289","0.001","84.409","0.001","79.246","0.001","880.24","0.1","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H20 Fe N8 O10 -","- C10 H20 Fe N8 O10 -","- C20 H40 Fe2 N16 O20 -","2","1","","Kamebuchi, Hajime; Okubo, Masashi; Okazawa, Atsushi; Enomoto, Masaya; Harada, Jun; Ogawa, Keiichiro; Maruta, Goro; Takeda, Sadamu; Kojima, Norimichi; Train, Cyrille; Verdaguer, Michel","A tricky water molecule coordinated to a verdazyl radical-iron(ii) complex: a multitechnique approach.","Physical chemistry chemical physics : PCCP","2014","16","19","9086","9095","10.1039/c4cp00310a","","","0.71073","MoKα","","0.0453","0.0341","","","0.0865","0.0911","","","","","","1.073","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214451","9.1722","0.0007","9.5972","0.0007","10.5527","0.0008","84.837","0.002","83.709","0.002","80.095","0.002","907.17","0.12","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H20 Fe N8 O10 -","- C10 H20 Fe N8 O10 -","- C20 H40 Fe2 N16 O20 -","2","1","","Kamebuchi, Hajime; Okubo, Masashi; Okazawa, Atsushi; Enomoto, Masaya; Harada, Jun; Ogawa, Keiichiro; Maruta, Goro; Takeda, Sadamu; Kojima, Norimichi; Train, Cyrille; Verdaguer, Michel","A tricky water molecule coordinated to a verdazyl radical-iron(ii) complex: a multitechnique approach.","Physical chemistry chemical physics : PCCP","2014","16","19","9086","9095","10.1039/c4cp00310a","","","0.71073","MoKα","","0.0655","0.0408","","","0.1089","0.1206","","","","","","1.045","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214452","9.1837","0.0011","9.5706","0.0011","10.6018","0.0013","84.936","0.002","83.959","0.002","79.849","0.002","909.83","0.19","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H20 Fe N8 O10 -","- C10 H20 Fe N8 O10 -","- C20 H40 Fe2 N16 O20 -","2","1","","Kamebuchi, Hajime; Okubo, Masashi; Okazawa, Atsushi; Enomoto, Masaya; Harada, Jun; Ogawa, Keiichiro; Maruta, Goro; Takeda, Sadamu; Kojima, Norimichi; Train, Cyrille; Verdaguer, Michel","A tricky water molecule coordinated to a verdazyl radical-iron(ii) complex: a multitechnique approach.","Physical chemistry chemical physics : PCCP","2014","16","19","9086","9095","10.1039/c4cp00310a","","","0.71073","MoKα","","0.1058","0.0468","","","0.1113","0.1354","","","","","","1.007","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214453","9.2092","0.0008","9.2785","0.0008","10.6971","0.001","84.406","0.002","84.601","0.002","79.076","0.002","890.53","0.14","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H20 Fe N8 O10 -","- C10 H20 Fe N8 O10 -","- C20 H40 Fe2 N16 O20 -","2","1","","Kamebuchi, Hajime; Okubo, Masashi; Okazawa, Atsushi; Enomoto, Masaya; Harada, Jun; Ogawa, Keiichiro; Maruta, Goro; Takeda, Sadamu; Kojima, Norimichi; Train, Cyrille; Verdaguer, Michel","A tricky water molecule coordinated to a verdazyl radical-iron(ii) complex: a multitechnique approach.","Physical chemistry chemical physics : PCCP","2014","16","19","9086","9095","10.1039/c4cp00310a","","","0.71073","MoKα","","0.0573","0.0397","","","0.104","0.1132","","","","","","1.058","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214454","12.4853","0.0003","7.2462","0.0002","13.1368","0.0003","90","","98.118","0.002","90","","1176.59","0.05","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O S -","- C15 H12 O S -","- C60 H48 O4 S4 -","4","1","","Pietrzak, Mariusz; Dobkowski, Jacek; Gorski, Alexandr; Gawinkowski, Sylwester; Kijak, Michał; Luboradzki, Roman; Hansen, Poul Erik; Waluk, Jacek","Arresting consecutive steps of a photochromic reaction: studies of β-thioxoketones combining laser photolysis with NMR detection.","Physical chemistry chemical physics : PCCP","2014","16","19","9128","9137","10.1039/c4cp00530a","","","1.54184","CuKα","","0.0354","0.033","","","0.0914","0.0939","","","","","","1.076","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214455","5.8977","0.0006","7.4177","0.0007","30.865","0.003","91.949","0.004","92.578","0.005","94.343","0.004","1344.1","0.2","150","2","150","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C16 H16 N4 -","- C16 H16 N4 -","- C64 H64 N16 -","4","2","","Katan, Claudine; Savel, Paul; Wong, Bryan M.; Roisnel, Thierry; Dorcet, Vincent; Fillaut, Jean-Luc; Jacquemin, Denis","Absorption and fluorescence signatures of 1,2,3-triazole based regioisomers: challenging compounds for TD-DFT.","Physical chemistry chemical physics : PCCP","2014","16","19","9064","9073","10.1039/c4cp00478g","","x-ray","0.71073","MoKα","","0.0884","0.0589","","","0.139","0.1541","","","","","","1.029","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214456","5.7857","0.0005","16.921","0.002","13.706","0.0017","90","","98.453","0.004","90","","1327.2","0.3","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 N4 -","- C16 H16 N4 -","- C64 H64 N16 -","4","1","","Katan, Claudine; Savel, Paul; Wong, Bryan M.; Roisnel, Thierry; Dorcet, Vincent; Fillaut, Jean-Luc; Jacquemin, Denis","Absorption and fluorescence signatures of 1,2,3-triazole based regioisomers: challenging compounds for TD-DFT.","Physical chemistry chemical physics : PCCP","2014","16","19","9064","9073","10.1039/c4cp00478g","","x-ray","0.71073","MoKα","","0.0546","0.0444","","","0.1066","0.1144","","","","","","1.042","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214457","10.9578","0.0003","16.3093","0.0005","9.2414","0.0003","90","","97.956","0.003","90","","1635.67","0.09","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C11 H8 Cd2 Cl0 K N5 O10 -","- C11 H8 Cd2 K N5 O10 -","- C44 H32 Cd8 K4 N20 O40 -","4","0.5","","Zhong, Di-Chang; Lu, Wen-Guan; Deng, Ji-Hua","Two three-dimensional cadmium(ii) coordination polymers based on 5-amino-tetrazolate and 1,2,4,5-benzenetetracarboxylate: the pH value controlled syntheses, crystal structures and luminescent properties","CrystEngComm","2014","16","21","4633","","10.1039/c4ce00219a","","","0.71073","MoKα","","0.0468","0.0341","","","0.056","0.0623","","","","","","1.044","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214458","6.595","0.0004","9.1653","0.0005","14.1958","0.001","85.873","0.005","82.166","0.005","74.734","0.004","819.48","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 Cd3 N5 O12 -","- C11 H9 Cd3 N5 O12 -","- C22 H18 Cd6 N10 O24 -","2","1","","Zhong, Di-Chang; Lu, Wen-Guan; Deng, Ji-Hua","Two three-dimensional cadmium(ii) coordination polymers based on 5-amino-tetrazolate and 1,2,4,5-benzenetetracarboxylate: the pH value controlled syntheses, crystal structures and luminescent properties","CrystEngComm","2014","16","21","4633","","10.1039/c4ce00219a","","","0.71073","MoKα","","0.0535","0.0364","","","0.0593","0.068","","","","","","1.06","","","","has coordinates,has disorder","180475","2020-10-21","18:00:00",""
"7214459","9.8996","0.0009","10.1499","0.0009","19.4607","0.0017","77.199","0.001","84.26","0.001","61.525","0.001","1676.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 Eu N3 O25 Y2 -","- C24 H26 Eu0.99 N3 O25 Y2.01 -","- C48 H52 Eu1.98 N6 O50 Y4.02 -","2","1","","Zhang, Yu; Ju, Weiwei; Xu, Xiao; Lv, Yun; Zhu, Dunru; Xu, Yan","Two novel mixed Eu3+/Y3+ Ln MOFs: influence of pH on the topology, Eu/Y ratio and energy transfer","CrystEngComm","2014","16","25","5681","","10.1039/c4ce00513a","","","0.71073","MoKα","","0.0449","0.0325","","","0.0822","0.0947","","","","","","1.05","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214460","7.4519","0.0006","19.2623","0.0015","12.3897","0.0009","90","","90","","90","","1778.4","0.2","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C7 H5 Eu0.44 N O5 Y0.56 -","- C7 H5 Eu0.44 N O5 Y0.56 -","- C56 H40 Eu3.52 N8 O40 Y4.48 -","8","1","","Zhang, Yu; Ju, Weiwei; Xu, Xiao; Lv, Yun; Zhu, Dunru; Xu, Yan","Two novel mixed Eu3+/Y3+ Ln MOFs: influence of pH on the topology, Eu/Y ratio and energy transfer","CrystEngComm","2014","16","25","5681","","10.1039/c4ce00513a","","","0.71073","MoKα","","0.028","0.023","","","0.0537","0.0553","","","","","","1.151","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214461","5.8743","0.0006","7.5065","0.0007","13.3959","0.0009","101.489","0.007","96.656","0.007","110.39","0.008","531.44","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Br N3 O -","- C11 H8 Br N3 O -","- C22 H16 Br2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Hosseini, Mahdieh; Tehrani, Alireza Azhdari; Naderi, Soheila","Strengthening N⋯X halogen bonding via nitrogen substitution in the aromatic framework of halogen-substituted arylpyrazinamides","CrystEngComm","2014","16","21","4546","","10.1039/c3ce41856a","","","0.71073","MoKα","","0.0732","0.0491","","","0.1109","0.1186","","","","","","0.998","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214462","7.287","0.002","24.367","0.005","12.004","0.003","90","","100.65","0.02","90","","2094.7","0.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 Br N4 O -","- C10 H7 Br N4 O -","- C80 H56 Br8 N32 O8 -","8","2","","Khavasi, Hamid Reza; Hosseini, Mahdieh; Tehrani, Alireza Azhdari; Naderi, Soheila","Strengthening N⋯X halogen bonding via nitrogen substitution in the aromatic framework of halogen-substituted arylpyrazinamides","CrystEngComm","2014","16","21","4546","","10.1039/c3ce41856a","","","0.71073","MoKα","","0.2004","0.0812","","","0.1605","0.2016","","","","","","0.892","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214463","5.8988","0.0019","7.408","0.003","13.191","0.004","101.56","0.03","96.55","0.02","110.55","0.03","518","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Cl N3 O -","- C11 H8 Cl N3 O -","- C22 H16 Cl2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Hosseini, Mahdieh; Tehrani, Alireza Azhdari; Naderi, Soheila","Strengthening N⋯X halogen bonding via nitrogen substitution in the aromatic framework of halogen-substituted arylpyrazinamides","CrystEngComm","2014","16","21","4546","","10.1039/c3ce41856a","","","0.71073","MoKα","","0.0815","0.0715","","","0.141","0.1512","","","","","","1.038","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214464","7.375","0.004","10.92","0.005","13.606","0.007","86.2","0.04","83.56","0.04","73.19","0.04","1041.7","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H7 Cl N4 O -","- C10 H7 Cl N4 O -","- C40 H28 Cl4 N16 O4 -","4","2","","Khavasi, Hamid Reza; Hosseini, Mahdieh; Tehrani, Alireza Azhdari; Naderi, Soheila","Strengthening N⋯X halogen bonding via nitrogen substitution in the aromatic framework of halogen-substituted arylpyrazinamides","CrystEngComm","2014","16","21","4546","","10.1039/c3ce41856a","","","0.71073","MoKα","","0.162","0.071","","","0.1168","0.1433","","","","","","1.03","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214465","6.0141","0.0015","23.974","0.005","13.582","0.003","90","","92.58","0.02","90","","1956.3","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 F N3 O -","- C11 H8 F N3 O -","- C88 H64 F8 N24 O8 -","8","2","","Khavasi, Hamid Reza; Hosseini, Mahdieh; Tehrani, Alireza Azhdari; Naderi, Soheila","Strengthening N⋯X halogen bonding via nitrogen substitution in the aromatic framework of halogen-substituted arylpyrazinamides","CrystEngComm","2014","16","21","4546","","10.1039/c3ce41856a","","","0.71073","MoKα","","0.1738","0.0538","","","0.0885","0.1149","","","","","","0.864","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214466","3.7671","0.0005","15.7465","0.0019","16.358","0.002","90","","92.991","0.011","90","","969","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 F N4 O -","- C10 H7 F N4 O -","- C40 H28 F4 N16 O4 -","4","1","","Khavasi, Hamid Reza; Hosseini, Mahdieh; Tehrani, Alireza Azhdari; Naderi, Soheila","Strengthening N⋯X halogen bonding via nitrogen substitution in the aromatic framework of halogen-substituted arylpyrazinamides","CrystEngComm","2014","16","21","4546","","10.1039/c3ce41856a","","","0.71073","MoKα","","0.0901","0.0466","","","0.0773","0.0862","","","","","","1.002","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214467","5.7717","0.0003","24.9374","0.0008","7.5654","0.0003","90","","94.819","0.004","90","","1085.05","0.08","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 I N4 O -","- C10 H7 I N4 O -","- C40 H28 I4 N16 O4 -","4","1","","Khavasi, Hamid Reza; Hosseini, Mahdieh; Tehrani, Alireza Azhdari; Naderi, Soheila","Strengthening N⋯X halogen bonding via nitrogen substitution in the aromatic framework of halogen-substituted arylpyrazinamides","CrystEngComm","2014","16","21","4546","","10.1039/c3ce41856a","","","0.71073","MoKα","","0.0912","0.0787","","","0.1239","0.1598","","","","","","0.91","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214468","5.955","0.0008","7.7126","0.0011","12.9998","0.0017","78.85","0.011","85.64","0.011","70.594","0.011","552.47","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 I N3 O -","- C11 H8 I N3 O -","- C22 H16 I2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Hosseini, Mahdieh; Tehrani, Alireza Azhdari; Naderi, Soheila","Strengthening N⋯X halogen bonding via nitrogen substitution in the aromatic framework of halogen-substituted arylpyrazinamides","CrystEngComm","2014","16","21","4546","","10.1039/c3ce41856a","","","0.71073","MoKα","","0.0355","0.0296","","","0.0668","0.0692","","","","","","1.091","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214469","18.4898","0.0011","18.4898","0.0011","38.7266","0.0019","90","","90","","120","","11465.8","1.1","150","2","150","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C22 H13 Cu2 N O12 -","- C22 H9 Cu2 N O12 -","- C198 H81 Cu18 N9 O108 -","9","0.25","","Zhang, Mingxing; Wang, Qian; Lu, Zhiyong; Liu, Huiyan; Liu, Wenlong; Bai, Junfeng","A nitro-decorated NbO-type metal‒organic framework with a highly selective CO2 uptake and CH4 storage capacity","CrystEngComm","2014","16","28","6287","","10.1039/c4ce00202d","","","0.71073","MoKα","","0.1328","0.1208","","","0.3356","0.3522","","","","","","1.449","","","","has coordinates,has disorder","180475","2020-10-21","18:00:00",""
"7214470","37.342","0.007","8.2819","0.0004","26.577","0.009","90","","134.36","0.03","90","","5876","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H23 N6 O9 Zn1.5 -","- C30 H23 N6 O9 Zn1.5 -","- C240 H184 N48 O72 Zn12 -","8","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Liu, Chenxi; Wang, Hailong; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescence properties of seven tripodal imidazole-based Zn/Cd(ii) coordination polymers induced by tricarboxylates","CrystEngComm","2014","16","21","4554","","10.1039/c4ce00212a","","","0.71073","MoKα","","0.1415","0.0794","","","0.1381","0.1575","","","","","","1.043","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214471","38.1051","0.0019","8.0262","0.0002","26.1036","0.0012","90","","130.755","0.008","90","","6047.6","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H27 Cd1.5 N6 O11 -","- C30 H27 Cd1.5 N6 O11 -","- C240 H216 Cd12 N48 O88 -","8","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Liu, Chenxi; Wang, Hailong; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescence properties of seven tripodal imidazole-based Zn/Cd(ii) coordination polymers induced by tricarboxylates","CrystEngComm","2014","16","21","4554","","10.1039/c4ce00212a","","","0.71073","MoKα","","0.0772","0.0531","","","0.0977","0.1049","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214472","10.1513","0.0015","32.003","0.006","18.417","0.004","90","","90","","90","","5983.2","1.9","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H19 N6 O7.5 Zn1.5 -","- C30 H19 N6 O7.5 Zn1.5 -","- C240 H152 N48 O60 Zn12 -","8","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Liu, Chenxi; Wang, Hailong; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescence properties of seven tripodal imidazole-based Zn/Cd(ii) coordination polymers induced by tricarboxylates","CrystEngComm","2014","16","21","4554","","10.1039/c4ce00212a","","","0.71073","MoKα","","0.1961","0.0987","","","0.2535","0.3063","","","","","","0.952","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214473","32.5833","0.0008","10.191","0.0003","19.138","0.0005","90","","90","","90","","6354.9","0.3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H24 Cd1.5 N6 O10 -","- C30 H24 Cd1.5 N6 O10 -","- C240 H192 Cd12 N48 O80 -","8","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Liu, Chenxi; Wang, Hailong; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescence properties of seven tripodal imidazole-based Zn/Cd(ii) coordination polymers induced by tricarboxylates","CrystEngComm","2014","16","21","4554","","10.1039/c4ce00212a","","","0.71073","MoKα","","0.0614","0.0459","","","0.106","0.1119","","","","","","1.082","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214474","19.9674","0.0005","18.9868","0.0005","30.7298","0.0011","90","","90","","90","","11650.2","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C60 H43 N12 O18.5 Zn3 -","- C60 H43 N12 O18.5 Zn3 -","- C480 H344 N96 O148 Zn24 -","8","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Liu, Chenxi; Wang, Hailong; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescence properties of seven tripodal imidazole-based Zn/Cd(ii) coordination polymers induced by tricarboxylates","CrystEngComm","2014","16","21","4554","","10.1039/c4ce00212a","","","0.71073","MoKα","","0.1264","0.0662","","","0.1578","0.1866","","","","","","0.998","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214475","7.5481","0.0006","10.8878","0.001","19.046","0.0018","79.948","0.008","79.57","0.008","73.077","0.008","1460.3","0.2","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C60 H42 N12 O15 Zn2 -","- C60 H42 N12 O15 Zn2 -","- C60 H42 N12 O15 Zn2 -","1","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Liu, Chenxi; Wang, Hailong; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescence properties of seven tripodal imidazole-based Zn/Cd(ii) coordination polymers induced by tricarboxylates","CrystEngComm","2014","16","21","4554","","10.1039/c4ce00212a","","","0.71073","MoKα","","0.074","0.0617","","","0.1591","0.168","","","","","","1.049","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214476","27.4177","0.0012","8.2315","0.0003","13.7691","0.0007","90","","94.263","0.005","90","","3098.9","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H25 Cd1.5 N6 O10 -","- C30 H25 Cd1.5 N6 O10 -","- C120 H100 Cd6 N24 O40 -","4","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Liu, Chenxi; Wang, Hailong; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescence properties of seven tripodal imidazole-based Zn/Cd(ii) coordination polymers induced by tricarboxylates","CrystEngComm","2014","16","21","4554","","10.1039/c4ce00212a","","","0.71073","MoKα","","0.0583","0.0464","","","0.1002","0.1043","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214477","5.764","0.002","7.64","0.002","12.283","0.004","90","","96.901","0.011","90","","537","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(urea) fumaric acid","bis(urea) (E)-butenedioic acid","","- C6 H12 N4 O6 -","- C6 H12 N4 O6 -","- C12 H24 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71073","MoKα","","0.0442","0.035","","","0.0783","0.0832","","","","","","1.038","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214478","5.671","0.004","7.888","0.005","12.348","0.01","90","","96.719","0.003","90","","548.6","0.7","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(urea) fumaric acid","bis(urea) (E)-butenedioic acid","","- C6 H12 N4 O6 -","- C6 H12 N4 O6 -","- C12 H24 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71073","MoKα","","0.0481","0.0328","","","0.0826","0.0951","","","","","","1.132","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214479","5.541","0.006","8.214","0.007","12.427","0.012","90","","97.314","0.008","90","","561","0.9","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(urea) fumaric acid","bis(urea) (E)-butenedioic acid","","- C6 H12 N4 O6 -","- C6 H12 N4 O6 -","- C12 H24 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71073","MoKα","","0.0768","0.0577","","","0.1046","0.1114","","","","","","1.2","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214480","7.89","0.005","5.79","0.005","13.65","0.005","90","","91.22","","90","","623.4","0.7","20","","20","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(methylurea) succinic acid","bis(N-methylurea) butanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0896","0.0538","","","0.081","0.086","","","","","","1.344","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214481","8.02","0.005","5.75","0.005","13.74","0.005","90","","91.43","","90","","633.4","0.7","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(methylurea) succinic acid","bis(N-methylurea) butanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.08","0.0497","","","0.0881","0.092","","","","","","1.444","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214482","8.29","0.005","5.66","0.005","13.78","0.005","90","","91.8","","90","","646.3","0.7","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(methylurea) succinic acid","bis(N-methylurea) butanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0906","0.053","","","0.0928","0.0983","","","","","","1.472","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214483","8.54","0.005","5.58","0.005","13.84","0.005","90","","92.92","","90","","658.7","0.7","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(methylurea) succinic acid","bis(N-methylurea) butanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0814","0.0441","","","0.0803","0.0852","","","","","","1.381","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214484","8.0244","0.0012","5.7496","0.0007","13.735","0.002","90","","91.246","0.005","90","","633.54","0.15","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(methylurea) succinic acid","bis(N-methylurea) butanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71073","MoKα","","0.0371","0.0334","","","0.089","0.0918","","","","","","1.09","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214485","8.2868","0.0007","5.6618","0.0003","13.7761","0.0011","90","","91.799","0.004","90","","646.03","0.08","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(methylurea) succinic acid","bis(N-methylurea) butanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71073","MoKα","","0.0455","0.0353","","","0.0997","0.1077","","","","","","1.122","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214486","8.5398","0.0008","5.5798","0.0004","13.8377","0.0016","90","","92.291","0.004","90","","658.84","0.11","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(methylurea) succinic acid","bis(N-methylurea) butanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71073","MoKα","","0.0773","0.0432","","","0.1107","0.1464","","","","","","1.159","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214487","8.3188","0.001","5.6497","0.0005","13.8382","0.0013","90","","104.156","0.004","90","","630.63","0.11","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(methylurea) fumaric acid","bis(N-methylurea) trans-butenedioic acid","","- C8 H16 N4 O6 -","- C8 H16 N4 O6 -","- C16 H32 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71075","MoKα","","0.0435","0.0327","","","0.0745","0.0804","","","","","","1.07","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214488","8.5509","0.0016","5.5691","0.0008","13.909","0.002","90","","102.959","0.007","90","","645.49","0.18","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(methylurea) fumaric acid","bis(N-methylurea) trans-butenedioic acid","","- C8 H16 N4 O6 -","- C8 H16 N4 O6 -","- C16 H32 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71075","MoKα","","0.0656","0.0398","","","0.0933","0.1043","","","","","","1.074","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214489","8.7741","0.0014","5.4413","0.0007","13.9303","0.0019","90","","100.73","0.006","90","","653.44","0.16","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(methylurea) fumaric acid","bis(N-methylurea) trans-butenedioic acid","","- C8 H16 N4 O6 -","- C8 H16 N4 O6 -","- C16 H32 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71075","MoKα","","0.0949","0.0487","","","0.0962","0.1168","","","","","","1.031","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214490","5.1081","0.0008","10.5388","0.0014","10.2233","0.0014","90","","102.717","0.007","90","","536.85","0.13","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-methylurea oxalic acid","N-methylurea ethandioic acid","","- C6 H14 N4 O6 -","- C6 H14 N4 O6 -","- C12 H28 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71075","MoKα","","0.0696","0.0432","","","0.1088","0.1261","","","","","","1.173","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214491","5.1464","0.0014","10.555","0.002","10.313","0.003","90","","101.835","0.013","90","","548.3","0.2","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-methylurea oxalic acid","N-methylurea ethandioic acid","","- C6 H14 N4 O6 -","- C6 H14 N4 O6 -","- C12 H28 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71075","MoKα","","0.079","0.0508","","","0.111","0.1231","","","","","","1.061","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214492","8.35","0.005","5.44","0.005","15.43","0.005","90","","101.95","0.01","90","","685.7","0.8","20","","20","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(N,N-dimethylurea) succinic acid","bis(N,N-dimethylurea) butanedioic acid","","- C10 H22 N4 O6 -","- C10 H22 N4 O6 -","- C20 H44 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0871","0.0502","","","0.0779","0.0838","","","","","","1.281","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214493","8.4","0.005","5.47","0.005","15.47","0.005","90","","101.95","0.01","90","","695.4","0.8","50","","50","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(N,N-dimethylurea) succinic acid","bis(N,N-dimethylurea) butanedioic acid","","- C10 H22 N4 O6 -","- C10 H22 N4 O6 -","- C20 H44 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.08","0.0473","","","0.0777","0.0838","","","","","","1.217","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214494","8.483","0.003","5.5169","0.0014","15.415","0.005","90","","101.677","0.008","90","","706.5","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(N,N-dimethylurea) succinic acid","bis(N,N-dimethylurea) butanedioic acid","","- C10 H22 N4 O6 -","- C10 H22 N4 O6 -","- C20 H44 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71073","MoKα","","0.033","0.0308","","","0.088","0.09","","","","","","1.086","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214495","8.6629","0.0012","5.6284","0.0006","15.152","0.002","90","","100.948","0.004","90","","725.34","0.16","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(N,N-dimethylurea) succinic acid","bis(N,N-dimethylurea) butanedioic acid","","- C10 H22 N4 O6 -","- C10 H22 N4 O6 -","- C20 H44 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71073","MoKα","","0.0408","0.0373","","","0.1078","0.1113","","","","","","1.081","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214496","8.797","0.002","5.6934","0.0013","15.059","0.004","90","","100.764","0.007","90","","741","0.3","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(N,N-dimethylurea) succinic acid","bis(N,N-dimethylurea) butanedioic acid","","- C10 H22 N4 O6 -","- C10 H22 N4 O6 -","- C20 H44 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71073","MoKα","","0.0534","0.0472","","","0.1364","0.1435","","","","","","1.072","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214497","5.8025","0.0008","18.158","0.002","6.8184","0.0008","90","","101.019","0.004","90","","705.15","0.15","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(N,N-dimethylurea) fumaric acid","bis(N,N-Dimethylurea) trans-butenedioic acid","","- C10 H20 N4 O6 -","- C10 H20 N4 O6 -","- C20 H40 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71075","MoKα","","0.0525","0.0417","","","0.1139","0.1251","","","","","","1.13","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214498","5.864","0.0005","18.2369","0.0011","6.8458","0.0004","90","","101.33","0.003","90","","717.83","0.09","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(N,N-dimethylurea) fumaric acid","bis(N,N-Dimethylurea) trans-butenedioic acid","","- C10 H20 N4 O6 -","- C10 H20 N4 O6 -","- C20 H40 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71075","MoKα","","0.0485","0.0397","","","0.1113","0.1196","","","","","","1.081","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214499","5.924","0.004","18.376","0.009","6.873","0.005","90","","101.293","0.005","90","","733.7","0.8","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(N,N-dimethylurea) fumaric acid","bis(N,N-Dimethylurea) trans-butenedioic acid","","- C10 H20 N4 O6 -","- C10 H20 N4 O6 -","- C20 H40 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71073","MoKα","","0.0802","0.0507","","","0.1438","0.1693","","","","","","1.082","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214500","5.71","0.0006","7.97","0.001","12.16","0.0013","90","","96.16","0.004","90","","550.19","0.11","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(urea) succinic acid","bis(urea) butanedioic acid","","- C6 H14 N4 O6 -","- C6 H14 N4 O6 -","- C12 H28 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0734","0.0453","","","0.0749","0.08","","","","","","1.258","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214501","5.67","0.0006","8.12","0.001","12.22","0.0013","90","","96.38","0.004","90","","559.13","0.11","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(urea) succinic acid","bis(urea) butanedioic acid","","- C6 H14 N4 O6 -","- C6 H14 N4 O6 -","- C12 H28 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0565","0.0355","","","0.0642","0.0691","","","","","","1.235","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214502","5.64","0.0006","8.26","0.001","12.28","0.0013","90","","96.66","0.004","90","","568.22","0.11","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(urea) succinic acid","bis(urea) butanedioic acid","","- C6 H14 N4 O6 -","- C6 H14 N4 O6 -","- C12 H28 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0678","0.0423","","","0.0746","0.0787","","","","","","1.368","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214503","5.7109","0.0007","7.9698","0.0011","12.158","0.0015","90","","96.16","0.004","90","","550.17","0.12","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(urea) succinic acid","bis(urea) butanedioic acid","","- C6 H14 N4 O6 -","- C6 H14 N4 O6 -","- C12 H28 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71075","MoKα","","0.035","0.0299","","","0.0793","0.083","","","","","","1.069","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214504","5.6706","0.0005","8.1227","0.0007","12.2182","0.001","90","","96.375","0.003","90","","559.3","0.08","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(urea) succinic acid","bis(urea) butanedioic acid","","- C6 H14 N4 O6 -","- C6 H14 N4 O6 -","- C12 H28 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71075","MoKα","","0.0382","0.0315","","","0.0826","0.0896","","","","","","1.091","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214505","5.6366","0.0006","8.2568","0.001","12.279","0.0013","90","","96.659","0.004","90","","567.61","0.11","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(urea) succinic acid","bis(urea) butanedioic acid","","- C6 H14 N4 O6 -","- C6 H14 N4 O6 -","- C12 H28 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71075","MoKα","","0.0621","0.0351","","","0.0848","0.1074","","","","","","1.142","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214506","5.7976","0.001","7.5666","0.001","12.351","0.003","90","","97.03","0.03","90","","537.74","0.18","30","2","30","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H6 N2 O3 -","- C3 H6 N2 O3 -","- C12 H24 N8 O12 -","4","1","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0501","0.0501","","","","0.1268","","","","","","1.126","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214507","5.766","0.002","7.666","0.003","12.332","0.005","90","","96.81","0.03","90","","541.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(Urea) fumaric acid","","","- C3 H6 N2 O3 -","- C3 H6 N2 O3 -","- C12 H24 N8 O12 -","4","1","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0552","0.0552","","","0.1145","0.1145","","","","","","1.046","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214508","5.676","0.002","7.912","0.003","12.366","0.005","90","","96.66","0.03","90","","551.6","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(Urea) fumaric acid","","","- C3 H6 N2 O3 -","- C3 H6 N2 O3 -","- C12 H24 N8 O12 -","4","1","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0558","0.0558","","","0.1247","0.1247","","","","","","1.091","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214509","5.549","0.002","8.239","0.003","12.445","0.004","90","","97.24","0.03","90","","564.4","0.3","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(Urea) fumaric acid","","","- C3 H6 N2 O3 -","- C3 H6 N2 O3 -","- C12 H24 N8 O12 -","4","1","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0566","0.0566","","","0.13","0.1301","","","","","","1.096","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214510","7.4865","0.0014","13.522","0.003","17.24","0.003","67.769","0.009","81.362","0.009","79.166","0.009","1580.7","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H16 Cl6 I2 N2 O2 -","- C28 H16 Cl6 I2 N2 O2 -","- C56 H32 Cl12 I4 N4 O4 -","2","1","","Baldrighi, Michele; Bartesaghi, Davide; Cavallo, Gabriella; Chierotti, Michele R.; Gobetto, Roberto; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Polymorphs and co-crystals of haloprogin: an antifungal agent","CrystEngComm","2014","16","26","5897","","10.1039/c4ce00367e","","","0.71073","MoKα","","0.0546","0.0303","","","0.0633","0.0733","","","","","","1.004","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214511","8.557","0.002","14.816","0.003","31.189","0.006","90","","90","","90","","3954.2","1.4","103","2","103","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C34 H44 Cl7 I2 N O2 -","- C34 H44 Cl7 I2 N O2 -","- C136 H176 Cl28 I8 N4 O8 -","4","0.5","","Baldrighi, Michele; Bartesaghi, Davide; Cavallo, Gabriella; Chierotti, Michele R.; Gobetto, Roberto; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Polymorphs and co-crystals of haloprogin: an antifungal agent","CrystEngComm","2014","16","26","5897","","10.1039/c4ce00367e","","","0.71073","MoKα","","0.0405","0.0267","","","0.0497","0.0537","","","","","","1.086","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214512","8.9174","0.0009","15.2187","0.0012","31.429","0.003","90","","90","","90","","4265.3","0.7","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C34 H44 Cl6 I3 N O2 -","- C34 H44 Cl6 I3 N O2 -","- C136 H176 Cl24 I12 N4 O8 -","4","0.5","","Baldrighi, Michele; Bartesaghi, Davide; Cavallo, Gabriella; Chierotti, Michele R.; Gobetto, Roberto; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Polymorphs and co-crystals of haloprogin: an antifungal agent","CrystEngComm","2014","16","26","5897","","10.1039/c4ce00367e","","","0.71073","MoKα","","0.0524","0.0341","","","0.0736","0.0869","","","","","","1.079","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214513","22.173","0.002","7.687","0.0007","13.8308","0.0013","90","","109.181","0.004","90","","2226.5","0.4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H4 Cl3 I O -","- C9 H4 Cl3 I O -","- C72 H32 Cl24 I8 O8 -","8","1","","Baldrighi, Michele; Bartesaghi, Davide; Cavallo, Gabriella; Chierotti, Michele R.; Gobetto, Roberto; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Polymorphs and co-crystals of haloprogin: an antifungal agent","CrystEngComm","2014","16","26","5897","","10.1039/c4ce00367e","","","0.71073","MoKα","","0.0452","0.0366","","","0.1035","0.1082","","","","","","1.058","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214514","4.2659","0.0006","10.4936","0.0014","13.3814","0.0016","108.226","0.012","93.893","0.012","90.291","0.012","567.43","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H4 Cl3 I O -","- C9 H4 Cl3 I O -","- C18 H8 Cl6 I2 O2 -","2","1","","Baldrighi, Michele; Bartesaghi, Davide; Cavallo, Gabriella; Chierotti, Michele R.; Gobetto, Roberto; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Polymorphs and co-crystals of haloprogin: an antifungal agent","CrystEngComm","2014","16","26","5897","","10.1039/c4ce00367e","","","0.71073","MoKα","","0.0385","0.0314","","","0.0737","0.0785","","","","","","1.059","","","","has coordinates","301864","2025-08-22","15:14:33",""
"7214515","31.1","0.005","5.3807","0.0007","13.861","0.002","90","","107.05","0.005","90","","2217.6","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H3 Cl3 I O -","- C9 H4 Cl3 I O -","- C72 H32 Cl24 I8 O8 -","8","1","","Baldrighi, Michele; Bartesaghi, Davide; Cavallo, Gabriella; Chierotti, Michele R.; Gobetto, Roberto; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Polymorphs and co-crystals of haloprogin: an antifungal agent","CrystEngComm","2014","16","26","5897","","10.1039/c4ce00367e","","","0.71073","MoKα","","0.1436","0.1236","","","0.2744","0.2992","","","","","","1.044","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214516","11.4377","0.0005","10.9909","0.0004","23.6256","0.001","90","","101.327","0.002","90","","2912.1","0.2","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C30 H20 Cd N4 O6 -","- C30 H20 Cd N4 O6 -","- C120 H80 Cd4 N16 O24 -","4","1","","Huang, Shu-Yun; Li, Jian-Qiang; Liu, Shu-Juan; Ning, Yang; Meng, Li-Na; Li, Jin-Yuan; Luo, Ming-Biao; Luo, Feng","Construction and modulation of structural diversity in acylamide-MOFs","CrystEngComm","2014","16","25","5608","","10.1039/c4ce00490f","","","0.71073","MoKα","","0.0692","0.0655","","","0.166","0.1683","","","","","","1.113","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214517","10.7918","0.0004","22.0438","0.0009","29.3454","0.0011","78.661","0.002","81.342","0.002","83.766","0.003","6744.3","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H80 Cd4 N16 O28.5 -","- C120 H80 Cd4 N16 O28.5 -","- C240 H160 Cd8 N32 O57 -","2","1","","Huang, Shu-Yun; Li, Jian-Qiang; Liu, Shu-Juan; Ning, Yang; Meng, Li-Na; Li, Jin-Yuan; Luo, Ming-Biao; Luo, Feng","Construction and modulation of structural diversity in acylamide-MOFs","CrystEngComm","2014","16","25","5608","","10.1039/c4ce00490f","","","0.71073","MoKα","","0.0778","0.0548","","","0.1464","0.1537","","","","","","1.059","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214518","27.665","0.011","21.903","0.007","29.854","0.009","90","","90","","90","","18090","11","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C90 H57 N15 O24 Zn3 -","- C90 H57 N15 O24 Zn3 -","- C720 H456 N120 O192 Zn24 -","8","1","","Huang, Shu-Yun; Li, Jian-Qiang; Liu, Shu-Juan; Ning, Yang; Meng, Li-Na; Li, Jin-Yuan; Luo, Ming-Biao; Luo, Feng","Construction and modulation of structural diversity in acylamide-MOFs","CrystEngComm","2014","16","25","5608","","10.1039/c4ce00490f","","","0.71073","MoKα","","0.138","0.0766","","","0.1852","0.2179","","","","","","0.977","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214519","15.0919","0.0005","14.1967","0.0005","18.1636","0.0006","90","","112.283","0.002","90","","3601","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H24 N6 O14 Zn -","- C38 H24 N6 O14 Zn -","- C152 H96 N24 O56 Zn4 -","4","1","","Huang, Shu-Yun; Li, Jian-Qiang; Liu, Shu-Juan; Ning, Yang; Meng, Li-Na; Li, Jin-Yuan; Luo, Ming-Biao; Luo, Feng","Construction and modulation of structural diversity in acylamide-MOFs","CrystEngComm","2014","16","25","5608","","10.1039/c4ce00490f","","","0.71073","MoKα","","0.0669","0.0425","","","0.0971","0.1073","","","","","","1.026","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214520","11.8446","0.0002","16.2081","0.0002","15.5426","0.0002","90","","116.373","0.001","90","","2673.29","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 N4 O8.5 Zn -","- C31 H20 N4 O8.5 Zn -","- C124 H80 N16 O34 Zn4 -","4","1","","Huang, Shu-Yun; Li, Jian-Qiang; Liu, Shu-Juan; Ning, Yang; Meng, Li-Na; Li, Jin-Yuan; Luo, Ming-Biao; Luo, Feng","Construction and modulation of structural diversity in acylamide-MOFs","CrystEngComm","2014","16","25","5608","","10.1039/c4ce00490f","","","0.71073","MoKα","","0.0402","0.0357","","","0.0823","0.085","","","","","","1.07","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214521","8.5394","0.0007","17.9536","0.0016","14.646","0.001","90","","118.236","0.004","90","","1978.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H13 N2 O5 Zn -","- C23 H13 N2 O5 Zn -","- C92 H52 N8 O20 Zn4 -","4","1","","Huang, Shu-Yun; Li, Jian-Qiang; Liu, Shu-Juan; Ning, Yang; Meng, Li-Na; Li, Jin-Yuan; Luo, Ming-Biao; Luo, Feng","Construction and modulation of structural diversity in acylamide-MOFs","CrystEngComm","2014","16","25","5608","","10.1039/c4ce00490f","","","0.71073","MoKα","","0.0674","0.0547","","","0.1559","0.1673","","","","","","1.06","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214522","9.9223","0.0002","14.9699","0.0003","21.0207","0.0004","77.365","0.001","81.01","0.001","82.377","0.001","2993.54","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H40 N8 O12 Zn2 -","- C60 H40 N8 O12 Zn2 -","- C120 H80 N16 O24 Zn4 -","2","1","","Huang, Shu-Yun; Li, Jian-Qiang; Liu, Shu-Juan; Ning, Yang; Meng, Li-Na; Li, Jin-Yuan; Luo, Ming-Biao; Luo, Feng","Construction and modulation of structural diversity in acylamide-MOFs","CrystEngComm","2014","16","25","5608","","10.1039/c4ce00490f","","","0.71073","MoKα","","0.061","0.0417","","","0.1105","0.1165","","","","","","1.038","","","","has coordinates,has disorder","180476","2020-10-21","18:00:00",""
"7215044","15.529","0.002","7.9238","0.0011","28.524","0.003","90","","119.779","0.005","90","","3046.4","0.7","296","2","296","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C24 H83 Mn4 N16 O5 S12 Sb3 -","- C24 H83 Mn4 N16 O5 S12 Sb3 -","- C48 H166 Mn8 N32 O10 S24 Sb6 -","2","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Zang, Hui-Ping; Zhai, Xiu-Rong; Feng, Li-Juan; Zhao, Zhi-Fei; Zhao, Jian-Qiang; Liu, Xin-Yue","Two manganese‒amine complexes incorporating thioantimonates and exhibiting diversiform roles of amine ligands","CrystEngComm","2014","16","16","3424","","10.1039/c3ce42240b","","","0.71073","MoKα","","0.0492","0.0304","","","0.0752","0.1026","","","","","","1.079","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215045","12.79","0.003","12.867","0.003","13.616","0.003","112.894","0.002","91.768","0.003","92.612","0.003","2059.2","0.8","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H32 Mn N6 O S15 Sb8 -","- C8 H32 Mn N6 O S15 Sb8 -","- C16 H64 Mn2 N12 O2 S30 Sb16 -","2","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Zang, Hui-Ping; Zhai, Xiu-Rong; Feng, Li-Juan; Zhao, Zhi-Fei; Zhao, Jian-Qiang; Liu, Xin-Yue","Two manganese‒amine complexes incorporating thioantimonates and exhibiting diversiform roles of amine ligands","CrystEngComm","2014","16","16","3424","","10.1039/c3ce42240b","","","0.71073","MoKα","","0.0544","0.0445","","","0.0972","0.1009","","","","","","1.006","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215046","8.0133","0.0007","11.2963","0.0004","19.9503","0.0013","90","","90","","90","","1805.9","0.2","200","2","200","2","","","","","","","synthesis as described","5","P c c n","-P 2ab 2ac","56","","","","- C14 H22 N4 O8 Zn -","- C14 H22 N4 O8 Zn -","- C56 H88 N16 O32 Zn4 -","4","0.5","","Fernández-Palacio, Francisco; Restrepo, Jimmy; Gálvez, Santos; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Functionalized aminocarboxylate moieties as linkers for coordination polymers: influence of the substituents in the dimensionality of the final structure","CrystEngComm","2014","16","16","3376","","10.1039/c3ce42615g","","x-ray","0.71073","MoKα","","0.0995","0.0537","","","0.1133","0.141","","","","","","1.134","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215047","8.764","0.002","15.381","0.004","11.395","0.002","90","","106.617","0.01","90","","1471.9","0.6","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N4 O6 Zn -","- C12 H14 N4 O6 Zn -","- C48 H56 N16 O24 Zn4 -","4","1","","Fernández-Palacio, Francisco; Restrepo, Jimmy; Gálvez, Santos; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Functionalized aminocarboxylate moieties as linkers for coordination polymers: influence of the substituents in the dimensionality of the final structure","CrystEngComm","2014","16","16","3376","","10.1039/c3ce42615g","","x-ray","0.71073","MoKα","","0.0731","0.0335","","","0.0678","0.077","","","","","","1.008","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215048","7.933","0.002","13.2295","0.0017","22.388","0.005","90","","90","","90","","2349.6","0.8","200","2","200","2","","","","","","","synthesis as described","5","P b c n","-P 2n 2ab","60","","","","- C24 H22 N4 O6 Zn -","- C24 H22 N4 O6 Zn -","- C96 H88 N16 O24 Zn4 -","4","0.5","","Fernández-Palacio, Francisco; Restrepo, Jimmy; Gálvez, Santos; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Functionalized aminocarboxylate moieties as linkers for coordination polymers: influence of the substituents in the dimensionality of the final structure","CrystEngComm","2014","16","16","3376","","10.1039/c3ce42615g","","x-ray","0.71073","MoKα","","0.1176","0.0514","","","0.108","0.1417","","","","","","1.079","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215049","9.91","0.0009","16.496","0.003","18.716","0.003","90","","104.91","0.008","90","","2956.6","0.8","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H56 N12 O12 Zn2 -","- C68 H56 N12 O12 Zn2 -","- C136 H112 N24 O24 Zn4 -","2","0.5","","Fernández-Palacio, Francisco; Restrepo, Jimmy; Gálvez, Santos; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Functionalized aminocarboxylate moieties as linkers for coordination polymers: influence of the substituents in the dimensionality of the final structure","CrystEngComm","2014","16","16","3376","","10.1039/c3ce42615g","","x-ray","0.71073","MoKα","","0.1197","0.0574","","","0.1075","0.1351","","","","","","1.093","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215050","9.404","0.002","11.923","0.0017","14.556","0.003","77.24","0.01","84.17","0.01","72.49","0.01","1516.9","0.5","200","2","200","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C68 H58 N12 O9 Zn2 -","- C68 H58 N12 O9 Zn2 -","- C68 H58 N12 O9 Zn2 -","1","0.5","","Fernández-Palacio, Francisco; Restrepo, Jimmy; Gálvez, Santos; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Functionalized aminocarboxylate moieties as linkers for coordination polymers: influence of the substituents in the dimensionality of the final structure","CrystEngComm","2014","16","16","3376","","10.1039/c3ce42615g","","x-ray","0.71073","MoKα","","0.0812","0.0361","","","0.0721","0.0874","","","","","","0.85","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215051","10.6806","0.0015","9.1982","0.0013","7.5204","0.0011","90","","107.139","0.002","90","","706.01","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 Ca Cl2 N2 O4 -","- C10 H18 Ca Cl2 N2 O4 -","- C20 H36 Ca2 Cl4 N4 O8 -","2","0.5","","Lamberts, Kevin; Porsche, Sven; Hentschel, Bernd; Kuhlen, Torsten; Englert, Ulli","An unusual linker and an unexpected node: CaCl2 dumbbells linked by proline to form square lattice networks","CrystEngComm","2014","16","16","3305","","10.1039/c3ce42357c","","","0.71073","MoKα","","0.032","0.0283","","","0.0686","0.0711","","","","","","1.027","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215052","5.872","0.0019","17.422","0.006","7.957","0.003","90","","104.233","0.005","90","","789","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Ca Cl2 N2 O6 -","- C10 H22 Ca Cl2 N2 O6 -","- C20 H44 Ca2 Cl4 N4 O12 -","2","0.5","","Lamberts, Kevin; Porsche, Sven; Hentschel, Bernd; Kuhlen, Torsten; Englert, Ulli","An unusual linker and an unexpected node: CaCl2 dumbbells linked by proline to form square lattice networks","CrystEngComm","2014","16","16","3305","","10.1039/c3ce42357c","","","0.71073","MoKα","","0.069","0.0613","","","0.1596","0.1633","","","","","","1.09","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215053","7.6518","0.0012","9.7084","0.0015","19.982","0.003","90","","90","","90","","1484.4","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H18 Ca Cl2 N2 O4 -","- C10 H18 Ca Cl2 N2 O4 -","- C40 H72 Ca4 Cl8 N8 O16 -","4","1","","Lamberts, Kevin; Porsche, Sven; Hentschel, Bernd; Kuhlen, Torsten; Englert, Ulli","An unusual linker and an unexpected node: CaCl2 dumbbells linked by proline to form square lattice networks","CrystEngComm","2014","16","16","3305","","10.1039/c3ce42357c","","","0.71073","MoKα","","0.0434","0.0358","","","0.0747","0.0783","","","","","","1.04","","","","has coordinates,has disorder","301864","2025-08-22","15:14:34",""
"7215054","6.9732","0.0006","11.7268","0.0011","12.1168","0.0011","90","","90","","90","","990.83","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H11 Ca Cl2 N O3 -","- C5 H11 Ca Cl2 N O3 -","- C20 H44 Ca4 Cl8 N4 O12 -","4","1","","Lamberts, Kevin; Porsche, Sven; Hentschel, Bernd; Kuhlen, Torsten; Englert, Ulli","An unusual linker and an unexpected node: CaCl2 dumbbells linked by proline to form square lattice networks","CrystEngComm","2014","16","16","3305","","10.1039/c3ce42357c","","","0.71073","MoKα","","0.0238","0.0227","","","0.0542","0.0557","","","","","","1.044","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215055","7.7297","0.0005","14.3257","0.0007","21.704","0.0003","90","","90","","90","","2403.4","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H14 Be N2 O8 P2 -","- C7 H14 Be N2 O8 P2 -","- C56 H112 Be8 N16 O64 P16 -","8","1","","Wang, Guoming; Ding, Zhigao; Li, Jinhua; Lv, Xiang; Zhang, Xiao; Zhao, Xiaomeng; Wang, Zonghua; Wang, Yingxia; Lin, Jianhua","Series of crystalline beryllium phosphates including new templates generated by in situ N-methylation transformation","CrystEngComm","2014","16","16","3296","","10.1039/c3ce42487a","","","0.71073","MoKα","","0.051","0.0429","","","0.093","0.0964","","","","","","1.141","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215056","8.7135","0.0007","13.8526","0.0004","17.1154","0.0004","90","","98.947","0.005","90","","2040.77","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H25 Be3 N2 O17.5 P4 -","- C8 H10 Be3 N2 O17.5 P4 -","- C32 H40 Be12 N8 O70 P16 -","4","1","","Wang, Guoming; Ding, Zhigao; Li, Jinhua; Lv, Xiang; Zhang, Xiao; Zhao, Xiaomeng; Wang, Zonghua; Wang, Yingxia; Lin, Jianhua","Series of crystalline beryllium phosphates including new templates generated by in situ N-methylation transformation","CrystEngComm","2014","16","16","3296","","10.1039/c3ce42487a","","","0.71073","MoKα","","0.0596","0.051","","","0.1471","0.1531","","","","","","1.086","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215057","8.7901","0.0005","8.8969","0.0003","15.095","0.0002","88.59","0.003","75.26","0.004","62.81","0.007","1009.71","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H26 Be2 N2 O16 P4 -","- C8 H25.5 Be2 N2 O16 P4 -","- C16 H51 Be4 N4 O32 P8 -","2","1","","Wang, Guoming; Ding, Zhigao; Li, Jinhua; Lv, Xiang; Zhang, Xiao; Zhao, Xiaomeng; Wang, Zonghua; Wang, Yingxia; Lin, Jianhua","Series of crystalline beryllium phosphates including new templates generated by in situ N-methylation transformation","CrystEngComm","2014","16","16","3296","","10.1039/c3ce42487a","","","0.71073","MoKα","","0.0681","0.0481","","","0.0982","0.1067","","","","","","1.064","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215058","9.3591","0.0006","9.3128","0.0005","15.1655","0.0003","90","","92.505","0.005","90","","1320.55","0.11","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H28 Be4 N2 O24 P6 -","- C8 H28 Be4 N2 O24 P6 -","- C16 H56 Be8 N4 O48 P12 -","2","0.5","","Wang, Guoming; Ding, Zhigao; Li, Jinhua; Lv, Xiang; Zhang, Xiao; Zhao, Xiaomeng; Wang, Zonghua; Wang, Yingxia; Lin, Jianhua","Series of crystalline beryllium phosphates including new templates generated by in situ N-methylation transformation","CrystEngComm","2014","16","16","3296","","10.1039/c3ce42487a","","","0.71073","MoKα","","0.0524","0.0429","","","0.1077","0.1119","","","","","","1.129","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215059","20.872","0.008","20.872","0.008","5.882","0.002","90","","90","","90","","2562.4","1.6","298","2","298","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C18 H16 Cd2 N6 O7 -","- C18 H16 Cd2 N6 O7 -","- C72 H64 Cd8 N24 O28 -","4","0.5","","Li, Teng; Yang, Jian; Hong, Xu-Jia; Ou, Yan-Jun; Gu, Zhi-Gang; Cai, Yue-Peng","A robust porous pillar-chained Cd-framework with selective sorption for CO2 and guest-driven tunable luminescence","CrystEngComm","2014","16","19","3848","","10.1039/c4ce00045e","","","0.71073","MoKα","","0.0657","0.0429","","","0.1184","0.1351","","","","","","1.089","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215060","20.8164","0.0013","20.8164","0.0013","5.8701","0.0004","90","","90","","90","","2543.6","0.3","298","2","298","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C9 H7 Cd N3 O3 -","- C9 H7 Cd N3 O3 -","- C72 H56 Cd8 N24 O24 -","8","1","","Li, Teng; Yang, Jian; Hong, Xu-Jia; Ou, Yan-Jun; Gu, Zhi-Gang; Cai, Yue-Peng","A robust porous pillar-chained Cd-framework with selective sorption for CO2 and guest-driven tunable luminescence","CrystEngComm","2014","16","19","3848","","10.1039/c4ce00045e","","","0.71073","MoKα","","0.039","0.0313","","","0.0865","0.0904","","","","","","1.081","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215061","21.23","0.06","21.23","0.06","6.029","0.017","90","","90","","90","","2717","13","298","2","298","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C9 H7 Cd I N3 O3 -","- C9 H7 Cd I N3 O3 -","- C72 H56 Cd8 I8 N24 O24 -","8","1","","Li, Teng; Yang, Jian; Hong, Xu-Jia; Ou, Yan-Jun; Gu, Zhi-Gang; Cai, Yue-Peng","A robust porous pillar-chained Cd-framework with selective sorption for CO2 and guest-driven tunable luminescence","CrystEngComm","2014","16","19","3848","","10.1039/c4ce00045e","","","0.71073","MoKα","","0.083","0.0611","","","0.179","0.2029","","","","","","1.086","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215062","9.1013","0.0011","10.8625","0.0014","12.5697","0.0016","76.698","0.002","86.585","0.002","79.993","0.002","1190.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 Mg N3 O10 S2 -","- C21 H21 Mg N3 O10 S2 -","- C42 H42 Mg2 N6 O20 S4 -","2","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Xie, Tao; Liu, Zi-Meng; Wen, Xi-Ling; Chen, Xue-Yun; Fan, Jun; Zhang, Wei-Guang","Construction of several new s-/p-block complexes containing binuclear metal‒terpyridine building blocks: dependence of structural diversity on the number of coordinated water molecules","CrystEngComm","2014","16","19","4029","","10.1039/c3ce41790e","","","0.71073","MoKα","","0.0602","0.0472","","","0.1405","0.1535","","","","","","1.053","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215063","18.538","0.017","16.748","0.016","16.019","0.015","90","","103.804","0.012","90","","4830","8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H20 Ca N3 O9.5 S2 -","- C21 H18 Ca N3 O9.5 S2 -","- C168 H144 Ca8 N24 O76 S16 -","8","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Xie, Tao; Liu, Zi-Meng; Wen, Xi-Ling; Chen, Xue-Yun; Fan, Jun; Zhang, Wei-Guang","Construction of several new s-/p-block complexes containing binuclear metal‒terpyridine building blocks: dependence of structural diversity on the number of coordinated water molecules","CrystEngComm","2014","16","19","4029","","10.1039/c3ce41790e","","","0.71073","MoKα","","0.1266","0.0637","","","0.1653","0.2067","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215064","8.9535","0.0011","11.451","0.0014","12.3912","0.0015","69.024","0.002","81.056","0.002","79.498","0.002","1160.7","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H19 N3 O9 Pb S2 -","- C21 H19 N3 O9 Pb S2 -","- C42 H38 N6 O18 Pb2 S4 -","2","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Xie, Tao; Liu, Zi-Meng; Wen, Xi-Ling; Chen, Xue-Yun; Fan, Jun; Zhang, Wei-Guang","Construction of several new s-/p-block complexes containing binuclear metal–terpyridine building blocks: dependence of structural diversity on the number of coordinated water molecules","CrystEngComm","2014","16","19","4029","","10.1039/c3ce41790e","","","0.71073","MoKα","","0.0628","0.0445","","","0.0903","0.0991","","","","","","1.002","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215065","15.792","0.006","19.232","0.007","14.198","0.005","90","","91.16","0.005","90","","4311","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 N3 O6.5 Pb S2 -","- C21 H13 N3 O6.5 Pb S2 -","- C168 H104 N24 O52 Pb8 S16 -","8","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Xie, Tao; Liu, Zi-Meng; Wen, Xi-Ling; Chen, Xue-Yun; Fan, Jun; Zhang, Wei-Guang","Construction of several new s-/p-block complexes containing binuclear metal‒terpyridine building blocks: dependence of structural diversity on the number of coordinated water molecules","CrystEngComm","2014","16","19","4029","","10.1039/c3ce41790e","","","0.71073","MoKα","","0.0816","0.0685","","","0.215","0.2229","","","","","","1.087","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215066","13.85","0.0012","14.6293","0.0012","17.9504","0.0016","97.443","0.001","101.793","0.001","90.424","0.001","3528.1","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H57 N9 O27 Pb3 S6 -","- C63 H41 N9 O27 Pb3 S6 -","- C126 H82 N18 O54 Pb6 S12 -","2","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Xie, Tao; Liu, Zi-Meng; Wen, Xi-Ling; Chen, Xue-Yun; Fan, Jun; Zhang, Wei-Guang","Construction of several new s-/p-block complexes containing binuclear metal‒terpyridine building blocks: dependence of structural diversity on the number of coordinated water molecules","CrystEngComm","2014","16","19","4029","","10.1039/c3ce41790e","","","0.71073","MoKα","","0.0754","0.0457","","","0.0985","0.1143","","","","","","0.987","","","","has coordinates,has disorder","180481","2020-10-21","18:00:00",""
"7215067","14.2823","0.0019","17.776","0.003","27.245","0.003","90","","90","","90","","6917","1.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H30 N4 O16 Zn3 -","- C20 H4 O16 Zn3 -","- C160 H32 O128 Zn24 -","8","1","","Ji, Wen-Juan; Hu, Man-Cheng; Li, Shu-Ni; Jiang, Yu-Cheng; Zhai, Quan-Guo","Ionic liquids used for synthesis of supramolecular isomeric open-frameworks as photocatalysts for visible-light-driven degradation of organic dyes","CrystEngComm","2014","16","17","3474","","10.1039/c4ce00014e","","","0.71073","MoKα","","0.0528","0.0486","","","0.1424","0.1461","","","","","","1.067","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215068","19.743","0.0003","26.8524","0.0005","29.2175","0.0005","90","","90","","90","","15489.6","0.5","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C36 H34 N4 O16 Zn3 -","- C20 H4 O16 Zn3 -","- C320 H64 O256 Zn48 -","16","0.5","","Ji, Wen-Juan; Hu, Man-Cheng; Li, Shu-Ni; Jiang, Yu-Cheng; Zhai, Quan-Guo","Ionic liquids used for synthesis of supramolecular isomeric open-frameworks as photocatalysts for visible-light-driven degradation of organic dyes","CrystEngComm","2014","16","17","3474","","10.1039/c4ce00014e","","","0.71073","MoKα","","0.0315","0.0291","","","0.107","0.1083","","","","","","1.014","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215069","41.0363","0.0018","12.1733","0.0004","14.1609","0.0005","90","","100.869","0.003","90","","6947.1","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Cu4 O23 Se -","- C18 H6 Cu4 O23 Se -","- C144 H48 Cu32 O184 Se8 -","8","1","","Papaefstathiou, Giannis S.; Subrahmanyam, Kota S.; Armatas, Gerasimos S.; Malliakas, Christos D.; Kanatzidis, Mercouri G.; Manos, Manolis J.","A unique microporous copper trimesate selenite with high selectivity for CO2","CrystEngComm","2014","16","17","3483","","10.1039/c4ce00091a","","","0.71073","MoKα","","0.0903","0.0639","","","0.1371","0.1453","","","","","","1.093","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215070","38.391","0.006","12.3697","0.0011","14.1757","0.0014","90","","90.165","0.01","90","","6731.8","1.4","473","2","473","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H6 Cu4 O15 Se -","- C18 H6 Cu4 O15 Se -","- C144 H48 Cu32 O120 Se8 -","8","1","","Papaefstathiou, Giannis S.; Subrahmanyam, Kota S.; Armatas, Gerasimos S.; Malliakas, Christos D.; Kanatzidis, Mercouri G.; Manos, Manolis J.","A unique microporous copper trimesate selenite with high selectivity for CO2","CrystEngComm","2014","16","17","3483","","10.1039/c4ce00091a","","","0.71073","MoKα","","0.249","0.1312","","","0.2912","0.3382","","","","","","1.071","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215071","14.3644","0.0017","8.318","0.001","8.8927","0.0011","90","","120.75","0.005","90","","913.1","0.2","185","2","185","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C5 H11 Mn N O6 -","- C5 H11 Mn N O6 -","- C20 H44 Mn4 N4 O24 -","4","1","","Sánchez-Andújar, M.; Gómez-Aguirre, L. C.; Pato Doldán, B.; Yáñez-Vilar, S.; Artiaga, R.; Llamas-Saiz, A. L.; Manna, R. S.; Schnelle, F.; Lang, M.; Ritter, F.; Haghighirad, A. A.; Señarís-Rodríguez, M. A.","First-order structural transition in the multiferroic perovskite-like formate [(CH3)2NH2][Mn(HCOO)3]","CrystEngComm","2014","16","17","3558","","10.1039/c3ce42411a","","","0.71073","MoKα","","0.1006","0.0634","","","0.1535","0.1739","","","","","","0.955","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215072","8.3544","0.0005","8.3544","0.0005","22.8701","0.0016","90","","90","","120","","1382.39","0.15","190","2","190","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C5 H11 Mn N O6 -","- C5 H3 Mn N0.99 O6 -","- C30 H18 Mn6 N5.94 O36 -","6","0.166667","","Sánchez-Andújar, M.; Gómez-Aguirre, L. C.; Pato Doldán, B.; Yáñez-Vilar, S.; Artiaga, R.; Llamas-Saiz, A. L.; Manna, R. S.; Schnelle, F.; Lang, M.; Ritter, F.; Haghighirad, A. A.; Señarís-Rodríguez, M. A.","First-order structural transition in the multiferroic perovskite-like formate [(CH3)2NH2][Mn(HCOO)3]","CrystEngComm","2014","16","17","3558","","10.1039/c3ce42411a","","","0.71073","MoKα","","0.0426","0.0371","","","0.1036","0.1066","","","","","","1.2","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215073","7.1628","0.0004","7.9091","0.0004","10.2589","0.0004","91.372","0.004","101.829","0.004","102.587","0.005","553.73","0.05","101.893","0.002","101.829","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H6 Eu N3 O7 -","- C9 H6 Eu N3 O7 -","- C18 H12 Eu2 N6 O14 -","2","1","","Ahmad, Waqar; Zhang, Lijuan; Zhou, Yunshan","2-D lanthanide‒organic complexes constructed from 6,7-dihydropyrido(2,3-d)pyridazine-5,8-dione: synthesis, characterization and photoluminescence for sensing small molecules","CrystEngComm","2014","16","17","3521","","10.1039/c3ce42575d","","","0.71073","MoKα","","0.022","0.02","","","0.0426","0.0432","","","","","","1.042","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215074","7.1205","0.0003","7.8366","0.0005","10.2949","0.0006","91.199","0.005","102.326","0.004","102.157","0.004","547.33","0.05","102.2","","102.2","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H6 N3 O7 Tb -","- C9 H6 N3 O7 Tb -","- C18 H12 N6 O14 Tb2 -","2","1","","Ahmad, Waqar; Zhang, Lijuan; Zhou, Yunshan","2-D lanthanide‒organic complexes constructed from 6,7-dihydropyrido(2,3-d)pyridazine-5,8-dione: synthesis, characterization and photoluminescence for sensing small molecules","CrystEngComm","2014","16","17","3521","","10.1039/c3ce42575d","","","0.7107","MoKα","","0.0331","0.0305","","","0.0672","0.069","","","","","","1.043","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215075","10.7697","0.0011","10.158","0.0008","29.054","0.003","90","","91.111","0.004","90","","3177.9","0.5","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 I2 N4 S2 Zn -","- C8 H12 I2 N4 S2 Zn -","- C64 H96 I16 N32 S16 Zn8 -","8","2","","Isaia, Francesco; Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Garau, Alessandra; Jones, Peter G.; Lippolis, Vito; Montis, Riccardo","Reactivity of the drug methimazole and its iodine adduct with elemental zinc","CrystEngComm","2014","16","17","3613","","10.1039/c3ce42601g","","","0.71073","MoKα","","0.0234","0.0181","","","0.0395","0.0412","","","","","","1.058","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215192","13.7574","0.0009","11.2371","0.0008","19.0368","0.0012","90","","95.529","0.002","90","","2929.3","0.3","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Ag2 F6 N4 O9 S2 -","- C24 H18 Ag2 F6 N4 O9 S2 -","- C96 H72 Ag8 F24 N16 O36 S8 -","4","0.5","","Patil, Komal M.; Cameron, Scott A.; Moratti, Stephen C.; Hanton, Lyall R.","Effect of anion on Ag(i) meso-helical chains formed with 4,4′-dipyridyl ketone: solvent versus anion bridging and anion effects on the strength of ligand binding","CrystEngComm","2014","16","21","4587","","10.1039/c4ce00155a","","","0.71069","MoKα","","0.0204","0.0199","","","0.0522","0.0525","","","","","","1.146","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215193","12.4586","0.0005","9.8846","0.0004","21.2874","0.0009","90","","102.794","0.0018","90","","2556.43","0.18","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 Ag2 Cl2 N4 O11 -","- C22 H18 Ag2 Cl2 N4 O11 -","- C88 H72 Ag8 Cl8 N16 O44 -","4","0.5","","Patil, Komal M.; Cameron, Scott A.; Moratti, Stephen C.; Hanton, Lyall R.","Effect of anion on Ag(i) meso-helical chains formed with 4,4′-dipyridyl ketone: solvent versus anion bridging and anion effects on the strength of ligand binding","CrystEngComm","2014","16","21","4587","","10.1039/c4ce00155a","","","0.71069","MoKα","","0.0367","0.0285","","","0.0923","0.1269","","","","","","1.209","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215194","7.5345","0.0003","19.1191","0.001","23.0434","0.0011","90","","92.045","0.001","90","","3317.4","0.3","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Ag2 Cl2 N7 O11 -","- C28 H27 Ag2 Cl2 N7 O11 -","- C112 H108 Ag8 Cl8 N28 O44 -","4","1","","Patil, Komal M.; Cameron, Scott A.; Moratti, Stephen C.; Hanton, Lyall R.","Effect of anion on Ag(i) meso-helical chains formed with 4,4′-dipyridyl ketone: solvent versus anion bridging and anion effects on the strength of ligand binding","CrystEngComm","2014","16","21","4587","","10.1039/c4ce00155a","","","0.71073","MoKα","","0.062","0.0495","","","0.1094","0.1157","","","","","","1.069","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215195","7.8231","0.0005","18.8411","0.0011","22.8612","0.0013","90","","90.874","0.003","90","","3369.3","0.3","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Ag2 Cl2 N7 O10 -","- C28 H25 Ag2 Cl2 N7 O10 -","- C112 H100 Ag8 Cl8 N28 O40 -","4","1","","Patil, Komal M.; Cameron, Scott A.; Moratti, Stephen C.; Hanton, Lyall R.","Effect of anion on Ag(i) meso-helical chains formed with 4,4′-dipyridyl ketone: solvent versus anion bridging and anion effects on the strength of ligand binding","CrystEngComm","2014","16","21","4587","","10.1039/c4ce00155a","","","0.71069","MoKα","","0.0838","0.0687","","","0.1704","0.1792","","","","","","1.066","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215196","7.989","0.0005","22.9536","0.0015","20.1547","0.0015","90","","91.046","0.003","90","","3695.3","0.4","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Ag2 F12 N8 O2 P2 -","- C30 H25 Ag2 F12 N8 O2 P2 -","- C120 H100 Ag8 F48 N32 O8 P8 -","4","1","","Patil, Komal M.; Cameron, Scott A.; Moratti, Stephen C.; Hanton, Lyall R.","Effect of anion on Ag(i) meso-helical chains formed with 4,4′-dipyridyl ketone: solvent versus anion bridging and anion effects on the strength of ligand binding","CrystEngComm","2014","16","21","4587","","10.1039/c4ce00155a","","","0.71073","MoKα","","0.0874","0.0694","","","0.2074","0.2414","","","","","","1.149","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215197","27.5782","0.0015","10.6328","0.0005","18.6286","0.0009","90","","117.517","0.0017","90","","4844.6","0.4","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H34 Ag2 F6 N8 O11 S2 -","- C46 H34 Ag2 F6 N8 O11 S2 -","- C184 H136 Ag8 F24 N32 O44 S8 -","4","0.5","","Patil, Komal M.; Cameron, Scott A.; Moratti, Stephen C.; Hanton, Lyall R.","Effect of anion on Ag(i) meso-helical chains formed with 4,4′-dipyridyl ketone: solvent versus anion bridging and anion effects on the strength of ligand binding","CrystEngComm","2014","16","21","4587","","10.1039/c4ce00155a","","","0.71069","MoKα","","0.0631","0.0596","","","0.1349","0.1368","","","","","","1.15","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215198","11.02","0.011","18.3216","0.0017","10.7558","0.001","90","","93.782","0.004","90","","2167","2","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Ag B F4 N4 O2 -","- C22 H16 Ag B F4 N4 O2 -","- C88 H64 Ag4 B4 F16 N16 O8 -","4","1","","Patil, Komal M.; Cameron, Scott A.; Moratti, Stephen C.; Hanton, Lyall R.","Effect of anion on Ag(i) meso-helical chains formed with 4,4′-dipyridyl ketone: solvent versus anion bridging and anion effects on the strength of ligand binding","CrystEngComm","2014","16","21","4587","","10.1039/c4ce00155a","","","0.71073","MoKα","","0.0263","0.0221","","","0.0502","0.0559","","","","","","1.083","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215199","11.0709","0.0007","18.5174","0.0012","11.6388","0.0008","90","","96.473","0.003","90","","2370.8","0.3","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Ag F6 N4 O2 P -","- C22 H16 Ag F6 N4 O2 P -","- C88 H64 Ag4 F24 N16 O8 P4 -","4","1","","Patil, Komal M.; Cameron, Scott A.; Moratti, Stephen C.; Hanton, Lyall R.","Effect of anion on Ag(i) meso-helical chains formed with 4,4′-dipyridyl ketone: solvent versus anion bridging and anion effects on the strength of ligand binding","CrystEngComm","2014","16","21","4587","","10.1039/c4ce00155a","","","0.71069","MoKα","","0.0368","0.034","","","0.0832","0.0846","","","","","","1.145","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215200","10.95","0.007","11.1081","0.0007","12.1273","0.0009","85.248","0.002","86.205","0.003","83.68","0.003","1458.7","0.9","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H22 Ag F6 N6 O2 P -","- C26 H22 Ag F6 N6 O2 P -","- C52 H44 Ag2 F12 N12 O4 P2 -","2","1","","Patil, Komal M.; Cameron, Scott A.; Moratti, Stephen C.; Hanton, Lyall R.","Effect of anion on Ag(i) meso-helical chains formed with 4,4′-dipyridyl ketone: solvent versus anion bridging and anion effects on the strength of ligand binding","CrystEngComm","2014","16","21","4587","","10.1039/c4ce00155a","","","0.71069","MoKα","","0.0515","0.0446","","","0.1202","0.1247","","","","","","1.082","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215201","17.4704","0.0016","28.935","0.002","8.6998","0.0007","90","","113.244","0.002","90","","4040.8","0.6","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C32 H38 Cd N8 O6 P2 -","- C32 H38 Cd N8 O6 P2 -","- C128 H152 Cd4 N32 O24 P8 -","4","0.5","","Zhang, Jian-Wei; Zhao, Cui-Cui; Zhao, Yin-Ping; Xu, Hai-Qun; Du, Zi-Yi; Jiang, Hai-Long","Metal‒organic frameworks with improved moisture stability based on a phosphonate monoester: effect of auxiliary N-donor ligands on framework dimensionality","CrystEngComm","2014","16","29","6635","","10.1039/c4ce00655k","","","0.71073","MoKα","","0.0813","0.0533","","","0.1245","0.1369","","","","","","1.008","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215202","10.2738","0.0002","20.8895","0.0005","19.9247","0.0005","90","","97.822","0.002","90","","4236.34","0.17","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H49 Co N6 O14 P2 -","- C33 H33 Co N6 O14 P2 -","- C132 H132 Co4 N24 O56 P8 -","4","1","","Zhang, Jian-Wei; Zhao, Cui-Cui; Zhao, Yin-Ping; Xu, Hai-Qun; Du, Zi-Yi; Jiang, Hai-Long","Metal‒organic frameworks with improved moisture stability based on a phosphonate monoester: effect of auxiliary N-donor ligands on framework dimensionality","CrystEngComm","2014","16","29","6635","","10.1039/c4ce00655k","","","0.71073","MoKα","","0.1243","0.0677","","","0.1678","0.1988","","","","","","1.027","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215203","21.757","0.0003","14.2474","0.0002","14.6058","0.0002","90","","118.16","0.001","90","","3991.61","0.1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H34 Cd N6 O8 P2 -","- C33 H34 Cd N6 O8 P2 -","- C132 H136 Cd4 N24 O32 P8 -","4","0.5","","Zhang, Jian-Wei; Zhao, Cui-Cui; Zhao, Yin-Ping; Xu, Hai-Qun; Du, Zi-Yi; Jiang, Hai-Long","Metal‒organic frameworks with improved moisture stability based on a phosphonate monoester: effect of auxiliary N-donor ligands on framework dimensionality","CrystEngComm","2014","16","29","6635","","10.1039/c4ce00655k","","","0.71073","MoKα","","0.0497","0.0376","","","0.1003","0.1051","","","","","","1.049","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215204","21.531","0.0004","14.105","0.0002","14.541","0.0002","90","","117.432","0.001","90","","3919.48","0.11","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H34 Co N6 O8 P2 -","- C33 H34 Co N6 O8 P2 -","- C132 H136 Co4 N24 O32 P8 -","4","0.5","","Zhang, Jian-Wei; Zhao, Cui-Cui; Zhao, Yin-Ping; Xu, Hai-Qun; Du, Zi-Yi; Jiang, Hai-Long","Metal‒organic frameworks with improved moisture stability based on a phosphonate monoester: effect of auxiliary N-donor ligands on framework dimensionality","CrystEngComm","2014","16","29","6635","","10.1039/c4ce00655k","","","0.71073","MoKα","","0.0738","0.0532","","","0.1408","0.15","","","","","","1.062","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215205","21.6074","0.0006","14.0197","0.0004","14.471","0.0004","90","","117.832","0.002","90","","3876.6","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H34 Cu N6 O8 P2 -","- C33 H34 Cu N6 O8 P2 -","- C132 H136 Cu4 N24 O32 P8 -","4","0.5","","Zhang, Jian-Wei; Zhao, Cui-Cui; Zhao, Yin-Ping; Xu, Hai-Qun; Du, Zi-Yi; Jiang, Hai-Long","Metal‒organic frameworks with improved moisture stability based on a phosphonate monoester: effect of auxiliary N-donor ligands on framework dimensionality","CrystEngComm","2014","16","29","6635","","10.1039/c4ce00655k","","","0.71073","MoKα","","0.1212","0.064","","","0.1284","0.1452","","","","","","0.995","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215206","7.6515","0.0002","8.0147","0.0002","9.3307","0.0002","71.162","0.002","67.62","0.002","84.036","0.002","500.64","0.02","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 O6 P2 -","- C18 H24 O6 P2 -","- C18 H24 O6 P2 -","1","0.5","","Zhang, Jian-Wei; Zhao, Cui-Cui; Zhao, Yin-Ping; Xu, Hai-Qun; Du, Zi-Yi; Jiang, Hai-Long","Metal–organic frameworks with improved moisture stability based on a phosphonate monoester: effect of auxiliary N-donor ligands on framework dimensionality","CrystEngComm","2014","16","29","6635","","10.1039/c4ce00655k","","","0.71073","MoKα","","0.0854","0.0518","","","0.1208","0.1383","","","","","","1.042","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215207","15.8384","0.0008","8.4589","0.0005","17.7369","0.0011","90","","96.493","0.002","90","","2361.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 O6 P2 -","- C22 H32 O6 P2 -","- C88 H128 O24 P8 -","4","1","","Zhang, Jian-Wei; Zhao, Cui-Cui; Zhao, Yin-Ping; Xu, Hai-Qun; Du, Zi-Yi; Jiang, Hai-Long","Metal–organic frameworks with improved moisture stability based on a phosphonate monoester: effect of auxiliary N-donor ligands on framework dimensionality","CrystEngComm","2014","16","29","6635","","10.1039/c4ce00655k","","","0.71073","MoKα","","0.1295","0.0578","","","0.1142","0.1422","","","","","","1","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215208","8.9485","0.0004","13.0362","0.0006","13.095","0.0006","82.837","0.001","71.006","0.001","87.486","0.001","1433.13","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H34 Cd N4 O8 P2 -","- C25 H34 Cd N4 O8 P2 -","- C50 H68 Cd2 N8 O16 P4 -","2","1","","Zhang, Jian-Wei; Zhao, Cui-Cui; Zhao, Yin-Ping; Xu, Hai-Qun; Du, Zi-Yi; Jiang, Hai-Long","Metal‒organic frameworks with improved moisture stability based on a phosphonate monoester: effect of auxiliary N-donor ligands on framework dimensionality","CrystEngComm","2014","16","29","6635","","10.1039/c4ce00655k","","","0.71073","MoKα","","0.0326","0.0272","","","0.0709","0.0747","","","","","","1.035","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215209","21.576","0.0004","21.576","0.0004","8.9043","0.0004","90","","90","","120","","3589.82","0.19","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C3 H6 Cu N4 O4 -","- C3 H6 Cu N4 O4 -","- C54 H108 Cu18 N72 O72 -","18","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Lu, Kai-Hsiang","Impeller-like dodecameric water clusters in metal‒organic nanotubes","CrystEngComm","2014","16","25","5516","","10.1039/c3ce42087f","","","0.71073","MoKα","","0.0472","0.0359","","","0.1044","0.1117","","","","","","1.067","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215216","11.274","0.002","8.2761","0.0017","27.958","0.006","90","","95.47","0.03","90","","2596.7","0.9","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 N S4 -","- C13 H7 N S4 -","- C104 H56 N8 S32 -","8","2","","Hayward, John J.; Gumbau-Brisa, Roger; Alberola, Antonio; Clarke, Caroline S.; Rawson, Jeremy M.; Pilkington, Melanie","An unusual single-crystal-to-single-crystal [2 + 2] photocyclisation reaction of a TTF-arylnitrile derivative","CrystEngComm","2014","16","31","7268","","10.1039/C4CE00346B","","","0.71073","MoKα","","0.1039","0.0869","","","0.1718","0.1787","","","","","","1.26","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215217","11.119","0.002","8.3345","0.0017","28.069","0.006","90","","95.85","0.03","90","","2587.6","0.9","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H14 N2 S8 -","- C26 H14 N2 S8 -","- C104 H56 N8 S32 -","4","1","","Hayward, John J.; Gumbau-Brisa, Roger; Alberola, Antonio; Clarke, Caroline S.; Rawson, Jeremy M.; Pilkington, Melanie","An unusual single-crystal-to-single-crystal [2 + 2] photocyclisation reaction of a TTF-arylnitrile derivative","CrystEngComm","2014","16","31","7268","","10.1039/C4CE00346B","","","0.71073","MoKα","","0.0491","0.0365","","","0.0745","0.0789","","","","","","1.076","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215218","3.9337","0.0004","11.3951","0.0009","27.644","0.002","90","","91.393","0.005","90","","1238.77","0.18","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 N2 S4 -","- C12 H6 N2 S4 -","- C48 H24 N8 S16 -","4","1","","Hayward, John J.; Gumbau-Brisa, Roger; Alberola, Antonio; Clarke, Caroline S.; Rawson, Jeremy M.; Pilkington, Melanie","An unusual single-crystal-to-single-crystal [2 + 2] photocyclisation reaction of a TTF-arylnitrile derivative","CrystEngComm","2014","16","31","7268","","10.1039/C4CE00346B","","","0.71073","MoKα","","0.0959","0.0849","","","0.2579","0.2704","","","","","","1.148","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215219","4.984","0.004","7.525","0.005","31.24","0.02","90","","92.611","0.01","90","","1170.4","1.4","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C48 H72 O12 -","4","1","","Gubaidullin, Aidar T.; Samigullina, Aida I.; Bredikhina, Zemfira A.; Bredikhin, Alexander A.","Crystal structure of chiral ortho-alkyl phenyl ethers of glycerol: true racemic compound, normal, false and anomalous conglomerates within the single five-membered family","CrystEngComm","2014","16","29","6716","","10.1039/c4ce00519h","","","0.71073","MoKα","","0.0774","0.0471","","","0.0986","0.1124","","","","","","1.054","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215220","5.0871","0.0013","7.5857","0.0019","26.719","0.007","90","","90","","90","","1031.1","0.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","1","","Gubaidullin, Aidar T.; Samigullina, Aida I.; Bredikhina, Zemfira A.; Bredikhin, Alexander A.","Crystal structure of chiral ortho-alkyl phenyl ethers of glycerol: true racemic compound, normal, false and anomalous conglomerates within the single five-membered family","CrystEngComm","2014","16","29","6716","","10.1039/c4ce00519h","","","0.71073","MoKα","","0.0563","0.0477","","","0.1128","0.1176","","","","","","1.051","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215221","5.0077","0.0009","30.877","0.006","7.4685","0.0014","90","","90.117","0.002","90","","1154.8","0.4","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C48 H72 O12 -","4","2","","Gubaidullin, Aidar T.; Samigullina, Aida I.; Bredikhina, Zemfira A.; Bredikhin, Alexander A.","Crystal structure of chiral ortho-alkyl phenyl ethers of glycerol: true racemic compound, normal, false and anomalous conglomerates within the single five-membered family","CrystEngComm","2014","16","29","6716","","10.1039/c4ce00519h","","","0.71073","MoKα","","0.0616","0.0603","","","0.1569","0.1578","","","","","","1.104","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215222","14.756","0.01","14.756","0.01","4.819","0.004","90","","90","","120","","908.7","1.2","150","2","150","2","","","","","","","","3","P 32","P 32","145","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C36 H54 O9 -","3","1","","Gubaidullin, Aidar T.; Samigullina, Aida I.; Bredikhina, Zemfira A.; Bredikhin, Alexander A.","Crystal structure of chiral ortho-alkyl phenyl ethers of glycerol: true racemic compound, normal, false and anomalous conglomerates within the single five-membered family","CrystEngComm","2014","16","29","6716","","10.1039/c4ce00519h","","","0.71073","MoKα","","0.0707","0.0517","","","0.1213","0.13","","","","","","1.053","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215223","16.149","0.002","17.459","0.002","8.1259","0.001","90","","90","","90","","2291.1","0.5","150","2","150","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C96 H144 O24 -","8","2","","Gubaidullin, Aidar T.; Samigullina, Aida I.; Bredikhina, Zemfira A.; Bredikhin, Alexander A.","Crystal structure of chiral ortho-alkyl phenyl ethers of glycerol: true racemic compound, normal, false and anomalous conglomerates within the single five-membered family","CrystEngComm","2014","16","29","6716","","10.1039/c4ce00519h","","","0.71073","MoKα","","0.0654","0.0434","","","0.1008","0.1143","","","","","","1.015","","","","has coordinates,has disorder","301864","2025-08-22","15:14:34",""
"7215224","15.383","0.0019","20.014","0.003","7.6027","0.0011","90","","90","","90","","2340.7","0.6","150","2","150","2","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C96 H144 O24 -","8","1","","Gubaidullin, Aidar T.; Samigullina, Aida I.; Bredikhina, Zemfira A.; Bredikhin, Alexander A.","Crystal structure of chiral ortho-alkyl phenyl ethers of glycerol: true racemic compound, normal, false and anomalous conglomerates within the single five-membered family","CrystEngComm","2014","16","29","6716","","10.1039/c4ce00519h","","","0.71073","MoKα","","0.0662","0.0468","","","0.099","0.1084","","","","","","1.057","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215229","11.0667","0.0005","13.6645","0.0006","16.468","0.0006","73.484","0.004","86.016","0.003","72.07","0.004","2271.16","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","TBT-1","","","- C56 H47 B F2 N4 O -","- C56 H47 B F2 N4 O -","- C112 H94 B2 F4 N8 O2 -","2","1","","Singh, Saumya; Venugopalan, Vijay; Krishnamoorthy, Kothandam","Organic soluble and uniform film forming oligoethylene glycol substituted BODIPY small molecules with improved hole mobility.","Physical chemistry chemical physics : PCCP","2014","16","26","13376","13382","10.1039/c4cp01098a","","","0.71073","MoKα","","0.1661","0.0743","","","0.158","0.1993","","","","","","1.034","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215230","12.761","0.003","14.961","0.003","17.532","0.006","90","","132.259","0.019","90","","2477.3","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 Cd N4 O4 -","- C27 H24 Cd N4 O4 -","- C108 H96 Cd4 N16 O16 -","4","1","","Li, Ming; Liu, Lu; Zhang, Lin; Lv, Xiaofeng; Ding, Jie; Hou, Hongwei; Fan, Yaoting","Novel coordination polymers of Zn(ii) and Cd(ii) tuned by different aromatic polycarboxylates: synthesis, structures and photocatalytic properties","CrystEngComm","2014","16","28","6408","","10.1039/c4ce00093e","","","0.71073","MoKα","","0.0476","0.0411","","","0.1337","0.1413","","","","","","1.002","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215231","9.4806","0.0019","18.127","0.004","18.693","0.004","61.88","0.03","83.98","0.03","86.35","0.03","2817.3","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H58 N8 O18 Zn3 -","- C56 H46 N8 O18 Zn3 -","- C112 H92 N16 O36 Zn6 -","2","1","","Li, Ming; Liu, Lu; Zhang, Lin; Lv, Xiaofeng; Ding, Jie; Hou, Hongwei; Fan, Yaoting","Novel coordination polymers of Zn(ii) and Cd(ii) tuned by different aromatic polycarboxylates: synthesis, structures and photocatalytic properties","CrystEngComm","2014","16","28","6408","","10.1039/c4ce00093e","","","0.71073","MoKα","","0.0782","0.0643","","","0.1982","0.2129","","","","","","1.032","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215232","12.156","0.002","18.59","0.004","21.024","0.004","74.05","0.03","75.94","0.03","75.58","0.03","4345.8","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H74 Cd3 N12 O16 -","- C75 H66 Cd3 N12 O13 -","- C150 H132 Cd6 N24 O26 -","2","1","","Li, Ming; Liu, Lu; Zhang, Lin; Lv, Xiaofeng; Ding, Jie; Hou, Hongwei; Fan, Yaoting","Novel coordination polymers of Zn(ii) and Cd(ii) tuned by different aromatic polycarboxylates: synthesis, structures and photocatalytic properties","CrystEngComm","2014","16","28","6408","","10.1039/c4ce00093e","","","0.71073","MoKα","","0.0911","0.0685","","","0.195","0.2142","","","","","","0.999","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215233","11.65","0.002","15.49","0.003","17.108","0.006","90","","115.37","0.02","90","","2789.5","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N4 O8 Zn2 -","- C28 H23 N4 O8 Zn2 -","- C112 H92 N16 O32 Zn8 -","4","1","","Li, Ming; Liu, Lu; Zhang, Lin; Lv, Xiaofeng; Ding, Jie; Hou, Hongwei; Fan, Yaoting","Novel coordination polymers of Zn(ii) and Cd(ii) tuned by different aromatic polycarboxylates: synthesis, structures and photocatalytic properties","CrystEngComm","2014","16","28","6408","","10.1039/c4ce00093e","","","0.71073","MoKα","","0.0929","0.0824","","","0.3068","0.3213","","","","","","1.05","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215234","9.4698","0.0019","11.079","0.002","11.161","0.002","77.45","0.03","78.01","0.03","85.11","0.03","1117.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 Cd N4 O4 -","- C24 H21 Cd N4 O4 -","- C48 H42 Cd2 N8 O8 -","2","1","","Li, Ming; Liu, Lu; Zhang, Lin; Lv, Xiaofeng; Ding, Jie; Hou, Hongwei; Fan, Yaoting","Novel coordination polymers of Zn(ii) and Cd(ii) tuned by different aromatic polycarboxylates: synthesis, structures and photocatalytic properties","CrystEngComm","2014","16","28","6408","","10.1039/c4ce00093e","","","0.71073","MoKα","","0.0746","0.0567","","","0.1407","0.1635","","","","","","0.959","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215235","12.005","0.002","18.834","0.004","16.723","0.006","90","","123.27","0.02","90","","3161.4","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H32 Cd N4 O8 S -","- C33 H28 Cd N4 O8 S -","- C132 H112 Cd4 N16 O32 S4 -","4","1","","Li, Ming; Liu, Lu; Zhang, Lin; Lv, Xiaofeng; Ding, Jie; Hou, Hongwei; Fan, Yaoting","Novel coordination polymers of Zn(ii) and Cd(ii) tuned by different aromatic polycarboxylates: synthesis, structures and photocatalytic properties","CrystEngComm","2014","16","28","6408","","10.1039/c4ce00093e","","","0.71073","MoKα","","0.0448","0.0419","","","0.1658","0.1716","","","","","","0.999","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215236","10.591","0.002","14.358","0.003","14.998","0.003","71.38","0.03","82.17","0.03","85.58","0.03","2139.8","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H33 Ag3 Cl3 N7 -","- C47 H33 Ag3 Cl3 N7 -","- C94 H66 Ag6 Cl6 N14 -","2","1","","Chen, Jing-Huo; Liu, Ya-Mei; Zhang, Jin-Xue; Zhu, Yan-Yan; Tang, Ming-Sheng; Ng, Seik Weng; Yang, Guang","Halogen-involving weak interactions manifested in the crystal structures of silver(i) or gold(i) 4-halogenated-3,5-diphenylpyrazolato trimers","CrystEngComm","2014","16","23","4987","","10.1039/c4ce00029c","","","0.71073","MoKα","","0.0424","0.0356","","","0.0823","0.0865","","","","","","1.11","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215237","9.6655","0.0009","20.3062","0.0016","24.3648","0.0019","90","","90","","90","","4782.1","0.7","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C47 H34 Ag3 Cl7 N6 -","- C47 H34 Ag3 Cl7 N6 -","- C188 H136 Ag12 Cl28 N24 -","4","1","","Chen, Jing-Huo; Liu, Ya-Mei; Zhang, Jin-Xue; Zhu, Yan-Yan; Tang, Ming-Sheng; Ng, Seik Weng; Yang, Guang","Halogen-involving weak interactions manifested in the crystal structures of silver(i) or gold(i) 4-halogenated-3,5-diphenylpyrazolato trimers","CrystEngComm","2014","16","23","4987","","10.1039/c4ce00029c","","","0.71073","MoKα","","0.1014","0.0631","","","0.099","0.1159","","","","","","1.041","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215238","9.681","0.002","20.34","0.005","23.673","0.005","90","","90","","90","","4661.5","1.8","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C52 H35 Ag3 Cl3 N7 -","- C52 H35 Ag3 Cl3 N7 -","- C208 H140 Ag12 Cl12 N28 -","4","1","","Chen, Jing-Huo; Liu, Ya-Mei; Zhang, Jin-Xue; Zhu, Yan-Yan; Tang, Ming-Sheng; Ng, Seik Weng; Yang, Guang","Halogen-involving weak interactions manifested in the crystal structures of silver(i) or gold(i) 4-halogenated-3,5-diphenylpyrazolato trimers","CrystEngComm","2014","16","23","4987","","10.1039/c4ce00029c","","","0.71073","MoKα","","0.0807","0.061","","","0.0679","0.0731","","","","","","1.074","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215239","14.337","0.003","29.013","0.006","10.568","0.002","90","","100.72","0.03","90","","4319.1","1.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H30 Ag3 I3 N6 -","- C45 H30 Ag3 I3 N6 -","- C180 H120 Ag12 I12 N24 -","4","1","","Chen, Jing-Huo; Liu, Ya-Mei; Zhang, Jin-Xue; Zhu, Yan-Yan; Tang, Ming-Sheng; Ng, Seik Weng; Yang, Guang","Halogen-involving weak interactions manifested in the crystal structures of silver(i) or gold(i) 4-halogenated-3,5-diphenylpyrazolato trimers","CrystEngComm","2014","16","23","4987","","10.1039/c4ce00029c","","","0.71073","MoKα","","0.0869","0.0615","","","0.1263","0.1428","","","","","","1.191","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215240","14.6187","0.0003","16.8833","0.0005","18.7304","0.0005","109.403","0.003","97.433","0.002","92.184","0.002","4307.4","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C48.5 H39.5 Ag3 Cl1.5 N6 -","- C48.5 H39.5 Ag3 Cl1.5 N6 -","- C194 H158 Ag12 Cl6 N24 -","4","2","","Chen, Jing-Huo; Liu, Ya-Mei; Zhang, Jin-Xue; Zhu, Yan-Yan; Tang, Ming-Sheng; Ng, Seik Weng; Yang, Guang","Halogen-involving weak interactions manifested in the crystal structures of silver(i) or gold(i) 4-halogenated-3,5-diphenylpyrazolato trimers","CrystEngComm","2014","16","23","4987","","10.1039/c4ce00029c","","","1.54178","CuKα","","0.0441","0.037","","","0.0918","0.0975","","","","","","1.02","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215241","29.9358","0.0006","17.05","0.0004","17.3679","0.0006","90","","98.081","0.002","90","","8776.6","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H32 Au3 Cl5 N6 -","- C46 H32 Au3 Cl5 N6 -","- C368 H256 Au24 Cl40 N48 -","8","1","","Chen, Jing-Huo; Liu, Ya-Mei; Zhang, Jin-Xue; Zhu, Yan-Yan; Tang, Ming-Sheng; Ng, Seik Weng; Yang, Guang","Halogen-involving weak interactions manifested in the crystal structures of silver(i) or gold(i) 4-halogenated-3,5-diphenylpyrazolato trimers","CrystEngComm","2014","16","23","4987","","10.1039/c4ce00029c","","","0.71073","MoKα","","0.0681","0.041","","","0.06","0.067","","","","","","0.991","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215242","14.567","0.003","28.956","0.006","10.803","0.002","90","","102.74","0.03","90","","4444.5","1.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H30 Au3 I3 N6 -","- C45 H30 Au3 I3 N6 -","- C180 H120 Au12 I12 N24 -","4","1","","Chen, Jing-Huo; Liu, Ya-Mei; Zhang, Jin-Xue; Zhu, Yan-Yan; Tang, Ming-Sheng; Ng, Seik Weng; Yang, Guang","Halogen-involving weak interactions manifested in the crystal structures of silver(i) or gold(i) 4-halogenated-3,5-diphenylpyrazolato trimers","CrystEngComm","2014","16","23","4987","","10.1039/c4ce00029c","","","0.71073","MoKα","","0.1134","0.0938","","","0.2154","0.2296","","","","","","1.237","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215243","7.151","0.0001","24.8988","0.0004","28.6097","0.0004","90","","93.406","0.001","90","","5085","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ROD-8","","","- C49 H37 Cd2 N O12 -","- C47 H33 Cd2 N O11 -","- C188 H132 Cd8 N4 O44 -","4","1","","Li, Ru-Jin; Li, Mian; Zhou, Xiao-Ping; Ng, Seik Weng; O'Keeffe, Michael; Li, Dan","ROD-8, a rod MOF with a pyrene-cored tetracarboxylate linker: framework disorder, derived nets and selective gas adsorption","CrystEngComm","2014","16","28","6291","","10.1039/c4ce00279b","","","1.54178","CuKα","","0.0887","0.0523","","","0.1249","0.1429","","","","","","1.06","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215244","9.2826","0.001","19.692","0.002","13.6649","0.0015","90","","108.704","0.005","90","","2365.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","BPTE Succinic Acid","1-(4-pyridyl)-2-(3-thienyl)ethylene butanedioic acid","","- C26 H24 N2 O4 S2 -","- C26 H24 N2 O4 S2 -","- C104 H96 N8 O16 S8 -","4","1","","Hutchins, Kristin M.; Sumrak, Joseph C.; Swenson, Dale C.; MacGillivray, Leonard R.","Head-to-tail photodimerization of a thiophene in a co-crystal and a rare adipic acid dimer in the presence of a heterosynthon","CrystEngComm","2014","16","26","5762","","10.1039/c4ce00481g","","","0.71073","MoKα","","0.1029","0.0591","","","0.1319","0.1523","","","","","","1.041","","","","has coordinates,has disorder","301864","2025-08-22","15:14:34",""
"7215245","11.6886","0.0012","15.1755","0.0015","12.1662","0.0012","90","","117.334","0.005","90","","1917.1","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4p3tc","rctt-1,3-bis(4-pyridyl)-2,4-bis(3-thienyl) cyclobutane","","- C22 H18 N2 S2 -","- C22 H18 N2 S2 -","- C88 H72 N8 S8 -","4","1","","Hutchins, Kristin M.; Sumrak, Joseph C.; Swenson, Dale C.; MacGillivray, Leonard R.","Head-to-tail photodimerization of a thiophene in a co-crystal and a rare adipic acid dimer in the presence of a heterosynthon","CrystEngComm","2014","16","26","5762","","10.1039/c4ce00481g","","","0.71073","MoKα","","0.0822","0.0443","","","0.1052","0.1268","","","","","","1.037","","","","has coordinates,has disorder","301864","2025-08-22","15:14:34",""
"7215246","15.935","0.0016","7.3782","0.0007","21.823","0.003","90","","100.382","0.005","90","","2523.8","0.5","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","BPTE Glutaric Acid","1-(4-pyridyl)-2-(3-thienyl)ethylene pentanedioic acid","","- C27 H26 N2 O4 S2 -","- C27 H26 N2 O4 S2 -","- C108 H104 N8 O16 S8 -","4","1","","Hutchins, Kristin M.; Sumrak, Joseph C.; Swenson, Dale C.; MacGillivray, Leonard R.","Head-to-tail photodimerization of a thiophene in a co-crystal and a rare adipic acid dimer in the presence of a heterosynthon","CrystEngComm","2014","16","26","5762","","10.1039/c4ce00481g","","","0.71073","MoKα","","0.0564","0.0408","","","0.096","0.1041","","","","","","1.055","","","","has coordinates,has disorder","301864","2025-08-22","15:14:34",""
"7215247","5.6534","0.0006","8.1587","0.0008","18.996","0.002","83.851","0.005","83.879","0.005","74.142","0.005","835.24","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","BPTE Adipic Acid","1-(4-pyridyl)-2-(3-thienyl)ethylene hexanedioic acid","","- C17 H19 N O4 S -","- C17 H19 N O4 S -","- C34 H38 N2 O8 S2 -","2","1","","Hutchins, Kristin M.; Sumrak, Joseph C.; Swenson, Dale C.; MacGillivray, Leonard R.","Head-to-tail photodimerization of a thiophene in a co-crystal and a rare adipic acid dimer in the presence of a heterosynthon","CrystEngComm","2014","16","26","5762","","10.1039/c4ce00481g","","","0.71073","MoKα","","0.1643","0.061","","","0.1012","0.1279","","","","","","0.967","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215248","23.1286","0.0007","9.4276","0.0003","23.3606","0.0007","90","","93.1691","0.0016","90","","5085.9","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 F3 I3 P Se -","- C24 H15 F3 I3 P Se -","- C192 H120 F24 I24 P8 Se8 -","8","2","","Viger-Gravel, Jasmine; Meyer, Julia E.; Korobkov, Ilia; Bryce, David L.","Probing halogen bonds with solid-state NMR spectroscopy: observation and interpretation of J(77Se,31P) coupling in halogen-bonded PSe⋯I motifs","CrystEngComm","2014","16","31","7285","","10.1039/C4CE00345D","","","0.71073","MoKα","","0.0379","0.0287","","","0.0641","0.0681","","","","","","1.017","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215249","13.7022","0.0003","12.7689","0.0003","13.9386","0.0003","90","","101.214","0.001","90","","2392.16","0.09","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 F4 I2 P Se -","- C24 H15 F4 I2 P Se -","- C96 H60 F16 I8 P4 Se4 -","4","1","","Viger-Gravel, Jasmine; Meyer, Julia E.; Korobkov, Ilia; Bryce, David L.","Probing halogen bonds with solid-state NMR spectroscopy: observation and interpretation of J(77Se,31P) coupling in halogen-bonded PSe⋯I motifs","CrystEngComm","2014","16","31","7285","","10.1039/C4CE00345D","","","0.71073","MoKα","","0.0179","0.0164","","","0.0416","0.0424","","","","","","1.049","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215250","12.243","0.0003","12.0173","0.0002","19.2931","0.0004","90","","101.549","0.001","90","","2781.08","0.1","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 Br F3 N4 O7 Re S -","- C26 H17 Br F3 N4 O7 Re S -","- C104 H68 Br4 F12 N16 O28 Re4 S4 -","4","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.0551","0.041","","","0.0933","0.1005","","","","","","1.054","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215251","8.5187","0.0003","11.9891","0.0004","13.4341","0.0004","77.04","0.002","89.004","0.002","84.019","0.002","1329.79","0.08","210","2","210","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H17 F4 N4 O7 Re S -","- C26 H17 F4 N4 O7 Re S -","- C52 H34 F8 N8 O14 Re2 S2 -","2","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC–SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.047","0.0403","","","0.097","0.1017","","","","","","1.043","","","","has coordinates,has disorder","301864","2025-08-22","15:14:34",""
"7215252","10.0523","0.0002","11.6515","0.0004","13.0988","0.0004","69.74","0.001","78.794","0.002","82.263","0.002","1408.05","0.07","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H17 F3 I N4 O7 Re S -","- C26 H17 F3 I N4 O7 Re S -","- C52 H34 F6 I2 N8 O14 Re2 S2 -","2","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.0375","0.0324","","","0.0716","0.0744","","","","","","1.046","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215253","20.461","0.0003","8.9968","0.0001","31.6923","0.0004","90","","104.268","0.001","90","","5654.07","0.13","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 Br F3 N4 O7 Re S -","- C26 H17 Br F3 N4 O7 Re S -","- C208 H136 Br8 F24 N32 O56 Re8 S8 -","8","2","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.0564","0.0462","","","0.0886","0.0921","","","","","","1.156","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215254","10.8109","0.0004","11.2437","0.0004","13.6707","0.0005","109.009","0.002","91.179","0.002","117.018","0.002","1371.34","0.09","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H17 Cl F3 N4 O7 Re S -","- C26 H17 Cl F3 N4 O7 Re S -","- C52 H34 Cl2 F6 N8 O14 Re2 S2 -","2","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.0872","0.059","","","0.1118","0.1228","","","","","","1.053","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215255","8.3032","0.0003","18.0645","0.0005","18.8024","0.0007","90","","96.999","0.001","90","","2799.22","0.16","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 F4 N4 O7 Re S -","- C26 H17 F4 N4 O7 Re S -","- C104 H68 F16 N16 O28 Re4 S4 -","4","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.1082","0.0572","","","0.0935","0.1096","","","","","","1.042","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215256","9.305","0.0003","18.728","0.0008","17.282","0.0006","90","","101.354","0.002","90","","2952.69","0.19","294","2","294","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 F3 I N4 O7 Re S -","- C26 H17 F3 I N4 O7 Re S -","- C104 H68 F12 I4 N16 O28 Re4 S4 -","4","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC–SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.1073","0.0607","","","0.1403","0.1706","","","","","","1.055","","","","has coordinates,has disorder","301864","2025-08-22","15:14:34",""
"7215257","8.563","0.0008","20.396","0.002","16.227","0.0018","90","","94.112","0.007","90","","2826.8","0.5","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 F3 I N4 O7 Re S -","- C26 H17 F3 I N4 O7 Re S -","- C104 H68 F12 I4 N16 O28 Re4 S4 -","4","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.1056","0.0732","","","0.1676","0.1852","","","","","","1.051","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215258","11.4748","0.0007","26.9371","0.0018","23.6378","0.0013","90","","96.295","0.003","90","","7262.3","0.8","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H48 F6 N10 O15 Re2 S2 -","- C58 H45 F6 N10 O15 Re2 S2 -","- C232 H180 F24 N40 O60 Re8 S8 -","4","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.1783","0.0897","","","0.2165","0.2757","","","","","","1.058","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215259","12.1162","0.001","27.444","0.003","19.0654","0.0016","90","","99.666","0.004","90","","6249.6","1","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C54 H42 F6 N8 O15 Re2 S2 -","- C54 H40 F6 N8 O15 Re2 S2 -","- C216 H160 F24 N32 O60 Re8 S8 -","4","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.2588","0.1206","","","0.23","0.2559","","","","","","0.775","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215260","12.8722","0.0004","4.9256","0.0002","17.571","0.0005","90","","104.327","0.002","90","","1079.41","0.06","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H9 Br N2 O -","- C12 H9 Br N2 O -","- C48 H36 Br4 N8 O4 -","4","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC–SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.0442","0.0355","","","0.0815","0.0861","","","","","","1.031","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215261","10.8408","0.0005","21.2412","0.0011","4.8537","0.0002","90","","90","","90","","1117.67","0.09","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H9 I N2 O -","- C12 H9 I N2 O -","- C48 H36 I4 N8 O4 -","4","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC–SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.0431","0.0341","","","0.0731","0.0782","","","","","","1.054","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215262","10.512","0.0012","4.8327","0.0006","21.187","0.002","90","","101.264","0.007","90","","1055.6","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC–SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.2443","0.0919","","","0.146","0.192","","","","","","0.979","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215263","9.8494","0.0018","3.8718","0.0007","13.972","0.002","90","","96.018","0.01","90","","529.88","0.16","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H9 Br N2 O -","- C12 H9 Br N2 O -","- C24 H18 Br2 N4 O2 -","2","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC–SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.0908","0.0806","","","0.1669","0.1746","","","","","","1.163","","","","has coordinates,has disorder","301864","2025-08-22","15:14:34",""
"7215264","17.4918","0.0003","10.4582","0.0002","14.8252","0.0003","90","","97.197","0.001","90","","2690.65","0.09","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H27 Co N6 O2 -","- C33 H27 Co N6 O2 -","- C132 H108 Co4 N24 O8 -","4","0.5","","Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais","Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers","CrystEngComm","2014","16","23","4973","","10.1039/c4ce00273c","","","0.71073","MoKα","","0.0365","0.0326","","","0.0866","0.0899","","","","","","0.897","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215265","10.0207","0.0001","10.1954","0.0001","15.5113","0.0002","106.449","0.001","92.122","0.001","103.141","0.001","1471.3","0.03","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H21 Co F6 N6 O2 -","- C33 H21 Co F6 N6 O2 -","- C66 H42 Co2 F12 N12 O4 -","2","1","","Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais","Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers","CrystEngComm","2014","16","23","4973","","10.1039/c4ce00273c","","","0.71073","MoKα","","0.0654","0.0463","","","0.113","0.124","","","","","","1.04","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215266","13.2927","0.0015","14.5956","0.0016","17.1232","0.0017","90","","90","","90","","3322.2","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H35 Co N6 O3 -","- C37 H35 Co N6 O3 -","- C148 H140 Co4 N24 O12 -","4","1","","Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais","Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers","CrystEngComm","2014","16","23","4973","","10.1039/c4ce00273c","","","0.71073","MoKα","","0.0735","0.0416","","","0.0991","0.1147","","","","","","1.039","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215267","13.3859","0.0005","13.508","0.0005","17.1308","0.0007","90","","96.215","0.002","90","","3079.3","0.2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H21 Co F6 N6 O2 -","- C33 H21 Co F6 N6 O2 -","- C132 H84 Co4 F24 N24 O8 -","4","0.5","","Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais","Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers","CrystEngComm","2014","16","23","4973","","10.1039/c4ce00273c","","","0.71073","MoKα","","0.0743","0.0598","","","0.1441","0.1569","","","","","","1.043","","","","has coordinates,has disorder","301864","2025-08-22","15:14:34",""
"7215268","9.4261","0.0002","13.4558","0.0002","13.9409","0.0002","106.57","0.001","106.717","0.001","98.302","0.001","1573","0.05","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H62 Cd Cl2 Co2 N12 O6 -","- C68 H62 Cd Cl2 Co2 N12 O6 -","- C68 H62 Cd Cl2 Co2 N12 O6 -","1","0.5","","Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais","Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers","CrystEngComm","2014","16","23","4973","","10.1039/c4ce00273c","","","0.71073","MoKα","","0.0389","0.0322","","","0.0841","0.0885","","","","","","1.057","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215269","8.7796","0.0004","16.0109","0.0007","25.1541","0.0011","83.011","0.002","82.318","0.002","79.518","0.002","3428.4","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C69 H49 Cd Cl2 Co2 F12 N13 O5 -","- C69 H49 Cd Cl2 Co2 F12 N13 O5 -","- C138 H98 Cd2 Cl4 Co4 F24 N26 O10 -","2","1","","Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais","Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers","CrystEngComm","2014","16","23","4973","","10.1039/c4ce00273c","","","0.71073","MoKα","","0.1146","0.0788","","","0.1975","0.2165","","","","","","1.103","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215270","21.3913","0.0005","14.0119","0.0003","26.0194","0.0007","90","","97.703","0.001","90","","7728.5","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H61 Cd Cl2 Co2 N13 O5 -","- C69 H61 Cd Cl2 Co2 N13 O5 -","- C276 H244 Cd4 Cl8 Co8 N52 O20 -","4","1","","Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais","Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers","CrystEngComm","2014","16","23","4973","","10.1039/c4ce00273c","","","0.71073","MoKα","","0.098","0.0592","","","0.1615","0.175","","","","","","1.032","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215271","23.1158","0.0007","25.2786","0.0008","15.2033","0.0005","90","","100.685","0.001","90","","8729.8","0.5","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C66 H42 Cd Cl2 Co2 F12 N12 O4 -","- C66 H42 Cd Cl2 Co2 F12 N12 O4 -","- C264 H168 Cd4 Cl8 Co8 F48 N48 O16 -","4","0.5","","Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais","Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers","CrystEngComm","2014","16","23","4973","","10.1039/c4ce00273c","","","0.71073","MoKα","","0.0554","0.0402","","","0.1182","0.1231","","","","","","1.129","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215272","12.1312","0.0006","17.8056","0.0008","22.2981","0.001","102.464","0.002","105.322","0.002","94.702","0.002","4486.1","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C166 H194 Br10 Cd5 Co4 N34 O22 -","- C166 H194 Br10 Cd5 Co4 N34 O22 -","- C166 H194 Br10 Cd5 Co4 N34 O22 -","1","0.5","","Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais","Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers","CrystEngComm","2014","16","23","4973","","10.1039/c4ce00273c","","","0.71073","MoKα","","0.1093","0.0529","","","0.1216","0.1409","","","","","","1.039","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215273","11.3197","0.0005","16.7537","0.0009","24.2708","0.0013","99.224","0.002","102.917","0.002","94.544","0.002","4396.6","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C156 H146 Cd5 Cl10 Co4 F24 N26 O16 -","- C156 H146 Cd5 Cl10 Co4 F24 N26 O16 -","- C156 H146 Cd5 Cl10 Co4 F24 N26 O16 -","1","0.5","","Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais","Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers","CrystEngComm","2014","16","23","4973","","10.1039/c4ce00273c","","","0.71073","MoKα","","0.0877","0.0606","","","0.1524","0.1615","","","","","","1.048","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215274","3.93012","0.00002","3.93012","0.00002","20.4479","0.0002","90","","90","","90","","315.835","0.004","1073","","1073","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Fe2 La0.54 O6.64 Sr2.46 -","- Fe2 La0.54 O6.64 Sr2.46 -","- Fe4 La1.08 O13.28 Sr4.92 -","2","0.0625","","Kagomiya, Isao; Jimbo, Keigo; Kakimoto, Ken-ichi; Nakayama, Masanobu; Masson, Olivier","Oxygen vacancy formation and the ion migration mechanism in layered perovskite (Sr,La)3Fe2O(7-δ).","Physical chemistry chemical physics : PCCP","2014","16","22","10875","10882","10.1039/c4cp00736k","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.13","","","","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215275","3.87762","0.00002","3.87762","0.00002","20.2102","0.0001","90","","90","","90","","303.879","0.003","298","","298","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Fe2 La0.54 O7 Sr2.46 -","- Fe2 La0.54 O7 Sr2.46 -","- Fe4 La1.08 O14 Sr4.92 -","2","0.0625","","Kagomiya, Isao; Jimbo, Keigo; Kakimoto, Ken-ichi; Nakayama, Masanobu; Masson, Olivier","Oxygen vacancy formation and the ion migration mechanism in layered perovskite (Sr,La)3Fe2O(7-δ).","Physical chemistry chemical physics : PCCP","2014","16","22","10875","10882","10.1039/c4cp00736k","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.21","","","","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215276","3.91937","0.00002","3.91937","0.00002","20.4121","0.0002","90","","90","","90","","313.56","0.004","973","","973","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Fe2 La0.54 O6.74 Sr2.46 -","- Fe2 La0.54 O6.74 Sr2.46 -","- Fe4 La1.08 O13.48 Sr4.92 -","2","0.0625","","Kagomiya, Isao; Jimbo, Keigo; Kakimoto, Ken-ichi; Nakayama, Masanobu; Masson, Olivier","Oxygen vacancy formation and the ion migration mechanism in layered perovskite (Sr,La)3Fe2O(7-δ).","Physical chemistry chemical physics : PCCP","2014","16","22","10875","10882","10.1039/c4cp00736k","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.13","","","","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215277","3.89243","0.00002","3.89243","0.00002","20.3558","0.0002","90","","90","","90","","308.411","0.004","673","","673","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Fe2 La0.54 O7 Sr2.46 -","- Fe2 La0.54 O7 Sr2.46 -","- Fe4 La1.08 O14 Sr4.92 -","2","0.0625","","Kagomiya, Isao; Jimbo, Keigo; Kakimoto, Ken-ichi; Nakayama, Masanobu; Masson, Olivier","Oxygen vacancy formation and the ion migration mechanism in layered perovskite (Sr,La)3Fe2O(7-δ).","Physical chemistry chemical physics : PCCP","2014","16","22","10875","10882","10.1039/c4cp00736k","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.14","","","","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215278","3.89879","0.00002","3.89879","0.00002","20.3609","0.0002","90","","90","","90","","309.497","0.004","773","","773","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Fe2 La0.54 O6.94 Sr2.46 -","- Fe2 La0.54 O6.94 Sr2.46 -","- Fe4 La1.08 O13.88 Sr4.92 -","2","0.0625","","Kagomiya, Isao; Jimbo, Keigo; Kakimoto, Ken-ichi; Nakayama, Masanobu; Masson, Olivier","Oxygen vacancy formation and the ion migration mechanism in layered perovskite (Sr,La)3Fe2O(7-δ).","Physical chemistry chemical physics : PCCP","2014","16","22","10875","10882","10.1039/c4cp00736k","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.13","","","","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215279","3.94156","0.00002","3.94156","0.00002","20.4927","0.0002","90","","90","","90","","318.372","0.004","1173","","1173","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Fe2 La0.54 O6.515 Sr2.46 -","- Fe2 La0.54 O6.516 Sr2.46 -","- Fe4 La1.08 O13.032 Sr4.92 -","2","0.0625","","Kagomiya, Isao; Jimbo, Keigo; Kakimoto, Ken-ichi; Nakayama, Masanobu; Masson, Olivier","Oxygen vacancy formation and the ion migration mechanism in layered perovskite (Sr,La)3Fe2O(7-δ).","Physical chemistry chemical physics : PCCP","2014","16","22","10875","10882","10.1039/c4cp00736k","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.13","","","","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215280","3.90758","0.00002","3.90758","0.00002","20.379","0.0002","90","","90","","90","","311.171","0.004","873","","873","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Fe2 La0.54 O6.82 Sr2.46 -","- Fe2 La0.54 O6.82 Sr2.46 -","- Fe4 La1.08 O13.64 Sr4.92 -","2","0.0625","","Kagomiya, Isao; Jimbo, Keigo; Kakimoto, Ken-ichi; Nakayama, Masanobu; Masson, Olivier","Oxygen vacancy formation and the ion migration mechanism in layered perovskite (Sr,La)3Fe2O(7-δ).","Physical chemistry chemical physics : PCCP","2014","16","22","10875","10882","10.1039/c4cp00736k","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.13","","","","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215281","10.869","0.005","12.13","0.005","13.783","0.004","90","","117.75","0.02","90","","1608.2","1.1","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Mn N2 O6 -","- C14 H16 Mn N2 O6 -","- C56 H64 Mn4 N8 O24 -","4","1","","Matoga, Dariusz; Gil, Barbara; Nitek, Wojciech; Todd, Alexander D.; Bielawski, Christopher W.","Dynamic 2D manganese(ii) isonicotinate framework with reversible crystal-to-amorphous transformation and selective guest adsorption","CrystEngComm","2014","16","23","4959","","10.1039/c4ce00647j","","x-ray","1.5418","CuKα","","0.0366","0.0329","","","0.0832","0.0867","","","","","","0.901","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215282","19.9588","0.0008","19.9588","0.0008","7.6768","0.0004","90","","90","","120","","2648.4","0.2","296","2","296","2","","","","","","","","6","P 3 c 1","P 3 -2""c","158","JA81","","","- C2 H5 Br Cu N S -","- C2 H5 Br Cu N S -","- C36 H90 Br18 Cu18 N18 S18 -","18","3","","Troyano, J.; Perles, J.; Amo-Ochoa, P.; Martínez, J. I.; Zamora, F.; Delgado, S.","Reversible recrystallization process of copper and silver thioacetamide‒halide coordination polymers and their basic building blocks","CrystEngComm","2014","16","35","8224","","10.1039/C4CE00480A","","","0.71073","","","0.0412","0.0295","","","0.0842","0.1004","","","","","","1.003","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215283","11.7896","0.0002","11.7896","0.0002","8.1509","0.0001","90","","90","","120","","981.15","0.03","296","2","296","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","JA100","","","- C2 H5 Cu I N S -","- C2 H5 Cu I N S -","- C12 H30 Cu6 I6 N6 S6 -","6","1","","Troyano, J.; Perles, J.; Amo-Ochoa, P.; Martínez, J. I.; Zamora, F.; Delgado, S.","Reversible recrystallization process of copper and silver thioacetamide‒halide coordination polymers and their basic building blocks","CrystEngComm","2014","16","35","8224","","10.1039/C4CE00480A","","","0.71073","","","0.0605","0.0311","","","0.0862","0.1109","","","","","","1.005","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215284","8.8371","0.0003","8.4068","0.0002","7.4343","0.0002","90","","90","","90","","552.31","0.03","296","2","296","2","","","","","","","","6","P b c m","-P 2c 2b","57","AgTAA","","","- C2 H5 Ag Cl N S -","- C2 H5 Ag Cl N S -","- C8 H20 Ag4 Cl4 N4 S4 -","4","0.5","","Troyano, J.; Perles, J.; Amo-Ochoa, P.; Martínez, J. I.; Zamora, F.; Delgado, S.","Reversible recrystallization process of copper and silver thioacetamide‒halide coordination polymers and their basic building blocks","CrystEngComm","2014","16","35","8224","","10.1039/C4CE00480A","","","0.71073","","","0.0391","0.0296","","","0.072","0.0785","","","","","","1","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215285","8.9917","0.0002","8.4982","0.0002","7.7639","0.0002","90","","90","","90","","593.26","0.02","296","2","296","2","","","","","","","","6","P b c m","-P 2c 2b","57","AgBrTAA_py","","","- C2 H5 Ag Br N S -","- C2 H5 Ag Br N S -","- C8 H20 Ag4 Br4 N4 S4 -","4","0.5","","Troyano, J.; Perles, J.; Amo-Ochoa, P.; Martínez, J. I.; Zamora, F.; Delgado, S.","Reversible recrystallization process of copper and silver thioacetamide‒halide coordination polymers and their basic building blocks","CrystEngComm","2014","16","35","8224","","10.1039/C4CE00480A","","","0.71073","","","0.0345","0.0285","","","0.0738","0.0767","","","","","","1","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215286","4.0277","0.0002","6.3237","0.0006","14.0649","0.0014","97.11","0.008","91.015","0.006","100.632","0.007","349.07","0.05","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H6 B F O2 -","- C7 H6 B F O2 -","- C14 H12 B2 F2 O4 -","2","1","","Sene, Saad; Berthomieu, Dorothée; Donnadieu, Bruno; Richeter, Sébastien; Vezzani, Joris; Granier, Dominique; Bégu, Sylvie; Mutin, Hubert; Gervais, Christel; Laurencin, Danielle","A combined experimental-computational study of benzoxaborole crystal structures","CrystEngComm","2014","16","23","4999","","10.1039/c4ce00313f","","","0.71073","MoKα","","0.048","0.037","","","0.0906","0.0975","","","","","","1.043","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215287","24.6035","0.0005","11.9649","0.0003","18.4269","0.0004","90","","114.571","0.001","90","","4933.3","0.2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H38 Cd N8 O10 -","- C46 H38 Cd N8 O10 -","- C184 H152 Cd4 N32 O40 -","4","0.5","","Singh, Udai P.; Narang, Shikha; Pachfule, Pradip; Banerjee, Rahul","Variation of CO2 adsorption in isostructural Cd(ii)/Co(ii) based MOFs by anion modulation","CrystEngComm","2014","16","23","5012","","10.1039/c4ce00058g","","","0.71073","MoKα","","0.0577","0.0483","","","0.1441","0.1508","","","","","","1.087","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215288","24.665","0.002","11.9542","0.0011","17.8777","0.0018","90","","112.764","0.004","90","","4860.6","0.8","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H38 Br2 Cd N6 O4 -","- C46 H38 Br2 Cd N6 O4 -","- C184 H152 Br8 Cd4 N24 O16 -","4","0.5","","Singh, Udai P.; Narang, Shikha; Pachfule, Pradip; Banerjee, Rahul","Variation of CO2 adsorption in isostructural Cd(ii)/Co(ii) based MOFs by anion modulation","CrystEngComm","2014","16","23","5012","","10.1039/c4ce00058g","","","0.71073","MoKα","","0.0562","0.0397","","","0.1292","0.1388","","","","","","0.967","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215289","25.611","0.0007","11.5667","0.0003","18.5397","0.0006","90","","114.345","0.001","90","","5003.7","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H38 Cd I2 N6 O4 -","- C46 H38 Cd I2 N6 O4 -","- C184 H152 Cd4 I8 N24 O16 -","4","0.5","","Singh, Udai P.; Narang, Shikha; Pachfule, Pradip; Banerjee, Rahul","Variation of CO2 adsorption in isostructural Cd(ii)/Co(ii) based MOFs by anion modulation","CrystEngComm","2014","16","23","5012","","10.1039/c4ce00058g","","","0.71073","MoKα","","0.0406","0.0311","","","0.1106","0.1178","","","","","","0.809","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215290","24.4845","0.0018","11.8901","0.0008","18.1106","0.0013","90","","114.564","0.004","90","","4795.2","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H38 Cl2 Co N6 O4 -","- C46 H38 Cl2 Co N6 O4 -","- C184 H152 Cl8 Co4 N24 O16 -","4","0.5","","Singh, Udai P.; Narang, Shikha; Pachfule, Pradip; Banerjee, Rahul","Variation of CO2 adsorption in isostructural Cd(ii)/Co(ii) based MOFs by anion modulation","CrystEngComm","2014","16","23","5012","","10.1039/c4ce00058g","","","0.71073","MoKα","","0.1181","0.0731","","","0.215","0.2277","","","","","","1.33","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215291","9.4682","0.0014","10.4331","0.0017","10.7425","0.0017","67.349","0.009","73.251","0.009","85.916","0.009","936.8","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 N3 O2 -","- C23 H19 N3 O2 -","- C46 H38 N6 O4 -","2","1","","Singh, Udai P.; Narang, Shikha; Pachfule, Pradip; Banerjee, Rahul","Variation of CO2 adsorption in isostructural Cd(ii)/Co(ii) based MOFs by anion modulation","CrystEngComm","2014","16","23","5012","","10.1039/c4ce00058g","","","0.71073","MoKα","","0.0751","0.0457","","","0.1282","0.1539","","","","","","0.912","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215449","8.5014","0.0005","13.1428","0.0007","9.5296","0.0005","90","","94.682","0.002","90","","1061.21","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 Eu O11 -","- C6 H7 Eu O11 -","- C24 H28 Eu4 O44 -","4","1","","da Luz, Leonis L.; Lucena Viana, Bárbara F.; da Silva, Gabriel C. Oliveira; Gatto, Claudia C.; Fontes, Adriana M.; Malta, Marcos; Weber, Ingrid T.; Rodrigues, Marcelo O.; Júnior, Severino Alves","Controlling the energy transfer in lanthanide‒organic frameworks for the production of white-light emitting materials","CrystEngComm","2014","16","30","6914","","10.1039/C4CE00538D","","","0.71073","MoKα","","0.0259","0.0223","","","0.0512","0.0526","","","","","","1.065","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7215450","8.4612","0.0009","13.1272","0.0016","9.4855","0.0011","90","","94.652","0.007","90","","1050.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 Gd O11 -","- C6 H6 Gd O11 -","- C24 H24 Gd4 O44 -","4","1","","da Luz, Leonis L.; Lucena Viana, Bárbara F.; da Silva, Gabriel C. Oliveira; Gatto, Claudia C.; Fontes, Adriana M.; Malta, Marcos; Weber, Ingrid T.; Rodrigues, Marcelo O.; Júnior, Severino Alves","Controlling the energy transfer in lanthanide‒organic frameworks for the production of white-light emitting materials","CrystEngComm","2014","16","30","6914","","10.1039/C4CE00538D","","","0.71073","MoKα","","0.0201","0.0186","","","0.0453","0.0459","","","","","","1.152","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7215451","8.4548","0.0002","13.1047","0.0004","9.4885","0.0002","90","","94.439","0.001","90","","1048.15","0.05","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 O11 Tb -","- C6 H10 O11 Tb -","- C24 H40 O44 Tb4 -","4","1","","da Luz, Leonis L.; Lucena Viana, Bárbara F.; da Silva, Gabriel C. Oliveira; Gatto, Claudia C.; Fontes, Adriana M.; Malta, Marcos; Weber, Ingrid T.; Rodrigues, Marcelo O.; Júnior, Severino Alves","Controlling the energy transfer in lanthanide‒organic frameworks for the production of white-light emitting materials","CrystEngComm","2014","16","30","6914","","10.1039/C4CE00538D","","","0.71073","MoKα","","0.0317","0.0303","","","0.0777","0.0787","","","","","","1.122","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7215452","6.483","0.002","9.222","0.004","10.555","0.003","64.5","","81.417","0.004","80.98","","560.2","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 Ag2 N2 O4 -","- C11 H9 Ag2 N2 O4 -","- C22 H18 Ag4 N4 O8 -","2","1","","Wang, Zhan-Hui; Wang, Dan-Feng; Zhang, Ting; Huang, Rong-Bin; Zheng, Lan-Sun","Synthesis, characterization, crystal structures and thermal and photoluminescence studies of dimethylpyrazine-carboxylate mixed ligand silver(i) coordination polymers with various multinuclear silver units","CrystEngComm","2014","16","23","5028","","10.1039/c4ce00072b","","","0.71073","MoKα","","0.0305","0.027","","","0.0651","0.0689","","","","","","1.102","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215453","8.059","0.002","10.243","0.004","17.378","0.003","98.88","","96.736","0.004","105.14","","1349.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H20 Ag4 N2 O8 -","- C30 H20 Ag4 N2 O8 -","- C60 H40 Ag8 N4 O16 -","2","1","","Wang, Zhan-Hui; Wang, Dan-Feng; Zhang, Ting; Huang, Rong-Bin; Zheng, Lan-Sun","Synthesis, characterization, crystal structures and thermal and photoluminescence studies of dimethylpyrazine-carboxylate mixed ligand silver(i) coordination polymers with various multinuclear silver units","CrystEngComm","2014","16","23","5028","","10.1039/c4ce00072b","","","0.71073","MoKα","","0.0546","0.0408","","","0.108","0.1134","","","","","","1.082","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215454","13.687","0.002","14.88","0.003","13.809","0.004","90","","90","","90","","2812.4","1.1","273","2","273.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C28 H24 Ag4 N4 O8 -","- C28 H24 Ag4 N4 O8 -","- C112 H96 Ag16 N16 O32 -","4","1","","Wang, Zhan-Hui; Wang, Dan-Feng; Zhang, Ting; Huang, Rong-Bin; Zheng, Lan-Sun","Synthesis, characterization, crystal structures and thermal and photoluminescence studies of dimethylpyrazine-carboxylate mixed ligand silver(i) coordination polymers with various multinuclear silver units","CrystEngComm","2014","16","23","5028","","10.1039/c4ce00072b","","","0.71073","MoKα","","0.0824","0.06","","","0.1318","0.1496","","","","","","1","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215455","7.2517","0.0014","7.7768","0.0015","25.608","0.004","90","","90.522","0.004","90","","1444.1","0.5","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H44 Ag8 N12 O24 -","- C56 H44 Ag8 N12 O24 -","- C56 H44 Ag8 N12 O24 -","1","0.25","","Wang, Zhan-Hui; Wang, Dan-Feng; Zhang, Ting; Huang, Rong-Bin; Zheng, Lan-Sun","Synthesis, characterization, crystal structures and thermal and photoluminescence studies of dimethylpyrazine-carboxylate mixed ligand silver(i) coordination polymers with various multinuclear silver units","CrystEngComm","2014","16","23","5028","","10.1039/c4ce00072b","","","0.71073","","","0.058","0.0395","","","","0.0978","","","","","","1.019","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215456","9.3459","0.0019","21.924","0.004","7.0573","0.0014","90","","106.11","0.03","90","","1389.3","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H6 Ag N O2 -","- C7 H6 Ag N O2 -","- C56 H48 Ag8 N8 O16 -","8","1","","Wang, Zhan-Hui; Wang, Dan-Feng; Zhang, Ting; Huang, Rong-Bin; Zheng, Lan-Sun","Synthesis, characterization, crystal structures and thermal and photoluminescence studies of dimethylpyrazine-carboxylate mixed ligand silver(i) coordination polymers with various multinuclear silver units","CrystEngComm","2014","16","23","5028","","10.1039/c4ce00072b","","","0.71073","MoKα","","0.0324","0.0294","","","0.0743","0.0775","","","","","","1.115","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215457","16.306","0.002","11.578","0.004","19.417","0.003","90","","90.207","0.004","90","","3665.7","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Ag6 N4 O17 -","- C30 H32 Ag6 N4 O17 -","- C120 H128 Ag24 N16 O68 -","4","1","","Wang, Zhan-Hui; Wang, Dan-Feng; Zhang, Ting; Huang, Rong-Bin; Zheng, Lan-Sun","Synthesis, characterization, crystal structures and thermal and photoluminescence studies of dimethylpyrazine-carboxylate mixed ligand silver(i) coordination polymers with various multinuclear silver units","CrystEngComm","2014","16","23","5028","","10.1039/c4ce00072b","","","0.71073","MoKα","","0.0361","0.0298","","","0.0748","0.0776","","","","","","1.182","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215458","14.757","0.003","20.578","0.004","13.995","0.002","90","","90.04","0.004","90","","4249.9","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Ag6 N6 O12 -","- C42 H36 Ag6 N6 O12 -","- C168 H144 Ag24 N24 O48 -","4","1","","Wang, Zhan-Hui; Wang, Dan-Feng; Zhang, Ting; Huang, Rong-Bin; Zheng, Lan-Sun","Synthesis, characterization, crystal structures and thermal and photoluminescence studies of dimethylpyrazine-carboxylate mixed ligand silver(i) coordination polymers with various multinuclear silver units","CrystEngComm","2014","16","23","5028","","10.1039/c4ce00072b","","","0.71073","MoKα","","0.141","0.0818","","","0.1963","0.2676","","","","","","1.01","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215459","18.431","0.0017","18.431","0.0017","69.911","0.015","90","","90","","120","","20567","5","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14 H8 Cu N2 O5 -","- C14 H8 Cu N2 O5 -","- C504 H288 Cu36 N72 O180 -","36","1","","Du, Liting; Yang, Shilong; Xu, Li; Min, Huihua; Zheng, Baishu","Highly selective carbon dioxide uptake by a microporous kgm-pillared metal‒organic framework with acylamide groups","CrystEngComm","2014","16","25","5520","","10.1039/c4ce00530a","","","0.71073","MoKα","","0.0744","0.0642","","","0.1905","0.1993","","","","","","1.183","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215460","11.0637","0.0009","7.2056","0.0006","22.927","0.002","90","","101.564","0.008","90","","1790.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H14 N4 S4 -","- C16 H14 N4 S4 -","- C64 H56 N16 S16 -","4","1","","Biet, Thomas; Avarvari, Narcis","Electroactive tetrathiafulvalene based pyridine-mono and -bis(1,2,3-triazoles) click ligands: synthesis, crystal structures and coordination chemistry","CrystEngComm","2014","16","29","6612","","10.1039/c4ce00736k","","","0.71073","MoKα","","0.1654","0.06","","","0.0924","0.1178","","","","","","1.003","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215461","11.278","0.0012","31.812","0.003","8.79","0.004","90","","98.853","0.014","90","","3116.1","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H23 N7 S8 -","- C27 H23 N7 S8 -","- C108 H92 N28 S32 -","4","0.5","","Biet, Thomas; Avarvari, Narcis","Electroactive tetrathiafulvalene based pyridine-mono and -bis(1,2,3-triazoles) click ligands: synthesis, crystal structures and coordination chemistry","CrystEngComm","2014","16","29","6612","","10.1039/c4ce00736k","","","0.71073","MoKα","","0.1353","0.0608","","","0.1107","0.1367","","","","","","1.047","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215462","12.283","0.0013","12.898","0.0015","22.171","0.004","80.437","0.012","87.138","0.011","89.403","0.008","3459.3","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H16 Co F12 N4 O4 S4 -","- C26 H16 Co F12 N4 O4 S4 -","- C104 H64 Co4 F48 N16 O16 S16 -","4","2","","Biet, Thomas; Avarvari, Narcis","Electroactive tetrathiafulvalene based pyridine-mono and -bis(1,2,3-triazoles) click ligands: synthesis, crystal structures and coordination chemistry","CrystEngComm","2014","16","29","6612","","10.1039/c4ce00736k","","","0.71073","MoKα","","0.2174","0.0896","","","0.1577","0.2078","","","","","","1.026","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215463","21.102","0.003","21.102","0.002","15.611","0.0014","90","","90","","90","","6951.5","1.3","293","2","293","2","","","","","","","","7","P 4 c c","P 4 -2c","103","","","","- C108 H92 Cd Cl2 N28 O12 S32 -","- C108 H92 Cd Cl2 N28 O12 S32 -","- C216 H184 Cd2 Cl4 N56 O24 S64 -","2","0.25","","Biet, Thomas; Avarvari, Narcis","Electroactive tetrathiafulvalene based pyridine-mono and -bis(1,2,3-triazoles) click ligands: synthesis, crystal structures and coordination chemistry","CrystEngComm","2014","16","29","6612","","10.1039/c4ce00736k","","","0.71073","MoKα","","0.0962","0.0497","","","0.086","0.103","","","","","","1.117","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215464","16.796","0.004","9.9569","0.0012","25.493","0.003","90","","103.108","0.009","90","","4152.3","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H52 Cd5 Cl10 N16 S16 -","- C58 H52 Cd5 Cl10 N16 S16 -","- C116 H104 Cd10 Cl20 N32 S32 -","2","0.5","","Biet, Thomas; Avarvari, Narcis","Electroactive tetrathiafulvalene based pyridine-mono and -bis(1,2,3-triazoles) click ligands: synthesis, crystal structures and coordination chemistry","CrystEngComm","2014","16","29","6612","","10.1039/c4ce00736k","","","0.71073","MoKα","","0.0553","0.0372","","","0.0837","0.0896","","","","","","1.063","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215465","13.262","0.003","13.508","0.002","24.549","0.004","76.154","0.008","86.364","0.009","63.763","0.008","3825.5","1.2","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C37 H56 Cl3 N3 O4 -","- C37 H56 Cl3 N3 O4 -","- C148 H224 Cl12 N12 O16 -","4","4","","Asthana, Deepak; Keshri, Sudhir K.; Hundal, Geeta; Sharma, Gyaneswar; Mukhopadhyay, Pritam","Self-assembly patterns of steroid-based all-organic ferroelectrics: valuable insights from the single-crystals derived from an organogel and solution","CrystEngComm","2014","16","22","4861","","10.1039/c4ce00013g","","","0.71073","MoKα","","0.0975","0.0628","","","0.1517","0.1753","","","","","","0.975","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215466","12.9772","0.0003","14.3714","0.0002","22.68","0.0006","73.075","0.001","79.981","0.001","69.56","0.001","3779.49","0.15","123","0.1","123","0.1","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C156 H252 N12 O20 -","- C156 H252 N12 O20 -","- C156 H252 N12 O20 -","1","1","","Asthana, Deepak; Keshri, Sudhir K.; Hundal, Geeta; Sharma, Gyaneswar; Mukhopadhyay, Pritam","Self-assembly patterns of steroid-based all-organic ferroelectrics: valuable insights from the single-crystals derived from an organogel and solution","CrystEngComm","2014","16","22","4861","","10.1039/c4ce00013g","","x-ray","0.71073","MoKα","","0.0824","0.061","","","0.13","0.1427","","","","","","1.03","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215467","7.6033","0.0002","11.4827","0.0003","11.8705","0.0004","83.186","0.001","71.662","0.002","80.423","0.002","967.59","0.05","100","2","100","2","","","","","","","Isabelle Kirby","5","P -1","-P 1","2","","1,3-bis(4-nitrophenyl)urea with tetramethylammonium chloride","","- C17 H22 Cl N5 O5 -","- C17 H22 Cl N5 O5 -","- C34 H44 Cl2 N10 O10 -","2","1","","Kirby, Isabelle L.; Brightwell, Mark; Pitak, Mateusz B.; Wilson, Claire; Coles, Simon J.; Gale, Philip A.","Systematic experimental charge density analysis of anion receptor complexes.","Physical chemistry chemical physics : PCCP","2014","16","22","10943","10958","10.1039/c3cp54858a","","","0.71073","MoKα","","0.071","0.038","","","","0.029","","","","","","1.397","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215468","7.797","0.002","11.214","0.003","12.211","0.003","91.753","0.005","104.56","0.007","95.232","0.013","1027.5","0.5","100","2","100","2","","","","","","","Isabelle Kirby","4","P -1","-P 1","2","","1,3-bis(4-nitrophenyl)urea with tetramethylammonium acetate","","- C19 H25 N5 O7 -","- C19 H25 N5 O7 -","- C38 H50 N10 O14 -","2","1","","Kirby, Isabelle L.; Brightwell, Mark; Pitak, Mateusz B.; Wilson, Claire; Coles, Simon J.; Gale, Philip A.","Systematic experimental charge density analysis of anion receptor complexes.","Physical chemistry chemical physics : PCCP","2014","16","22","10943","10958","10.1039/c3cp54858a","","","0.71073","MoKα","","0.08","0.053","","","","0.061","","","","","","1.645","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215469","35.929","0.006","7.0153","0.0011","12.624","0.002","90","","90","","90","","3181.9","0.9","100","2","100","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","1,3-bis(4-nitrophenyl)urea with tetramethylammonium fluoride","","- C30 H32 F N9 O10 -","- C30 H32 F N9 O10 -","- C120 H128 F4 N36 O40 -","4","0.5","","Kirby, Isabelle L.; Brightwell, Mark; Pitak, Mateusz B.; Wilson, Claire; Coles, Simon J.; Gale, Philip A.","Systematic experimental charge density analysis of anion receptor complexes.","Physical chemistry chemical physics : PCCP","2014","16","22","10943","10958","10.1039/c3cp54858a","","","0.6889","","","0.044","0.029","","","","0.038","","","","","","2.067","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215470","6.8211","0.0005","14.4139","0.0011","19.7918","0.0016","90","","90","","90","","1945.9","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1,3-bis(3-nitrophenyl)urea with tetramethylammonium chloride","","- C17 H22 Cl N5 O5 -","- C17 H22 Cl N5 O5 -","- C68 H88 Cl4 N20 O20 -","4","1","","Kirby, Isabelle L.; Brightwell, Mark; Pitak, Mateusz B.; Wilson, Claire; Coles, Simon J.; Gale, Philip A.","Systematic experimental charge density analysis of anion receptor complexes.","Physical chemistry chemical physics : PCCP","2014","16","22","10943","10958","10.1039/c3cp54858a","","","0.4859","","","0.071","0.038","","","","0.038","","","","","","1.173","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215471","9.602","0.003","10.807","0.003","12.433","0.004","109.859","0.005","96.598","0.003","103.537","0.0005","1152.7","0.6","100","","100","2","","","","","","","","4","P -1","-P 1","2","","1,3-bis(3,5-dinitrophenyl)urea with tetramethylacetate","","- C19 H23 N7 O11 -","- C19 H23 N7 O11 -","- C38 H46 N14 O22 -","2","1","","Kirby, Isabelle L.; Brightwell, Mark; Pitak, Mateusz B.; Wilson, Claire; Coles, Simon J.; Gale, Philip A.","Systematic experimental charge density analysis of anion receptor complexes.","Physical chemistry chemical physics : PCCP","2014","16","22","10943","10958","10.1039/c3cp54858a","","","0.6889","","","0.054","0.04","","","","0.046","","","","","","1.62","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215472","10.1249","0.0007","4.7655","0.0003","35.02","0.003","90","","93.387","0.002","90","","1686.8","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H42 O13 -","- C32 H36 O13 -","- C64 H72 O26 -","2","0.5","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.1049","0.0858","","","0.2555","0.2743","","","","","","1.081","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215473","10.125","0.006","4.993","0.003","37.33","0.02","90","","93.079","0.015","90","","1884.5","1.9","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 O6 -","- C18 H24 O6 -","- C72 H96 O24 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.0938","0.0792","","","0.2436","0.2647","","","","","","1.161","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215474","30.0728","0.0008","9.9777","0.0003","16.8414","0.0004","90","","105.73","0.002","90","","4864.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H39 N O6 -","- C24 H39 N O6 -","- C192 H312 N8 O48 -","8","2","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.1579","0.1053","","","0.2468","0.2727","","","","","","1.085","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215475","33.1689","0.001","10.1077","0.0003","16.6962","0.0005","90","","103.568","0.002","90","","5441.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H68 N2 O14 -","- C52 H68 N2 O14 -","- C208 H272 N8 O56 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.0903","0.0767","","","0.2162","0.2351","","","","","","1.007","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215476","13.957","0.004","10.086","0.003","17.006","0.005","90","","113.026","0.005","90","","2203.2","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 N O6 -","- C21 H21 N O6 -","- C84 H84 N4 O24 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.0717","0.0617","","","0.1932","0.204","","","","","","1.067","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215477","17.7425","0.0009","8.7392","0.0005","19.5395","0.001","90","","102.293","0.002","90","","2960.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H49 N O7 -","- C30 H49 N O7 -","- C120 H196 N4 O28 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.0508","0.0411","","","0.1168","0.1297","","","","","","1.017","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215478","31.663","0.003","10.0805","0.001","16.7716","0.0017","90","","104.662","0.002","90","","5178.8","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H43 N O6 -","- C26 H39 N O6 -","- C208 H312 N8 O48 -","8","2","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.0686","0.0495","","","0.1327","0.1474","","","","","","1.079","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215479","16.681","0.002","10.1817","0.0014","28.164","0.004","90","","90","","90","","4783.4","1.1","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H32 N O6 -","- C24 H32 N O6 -","- C192 H256 N8 O48 -","8","2","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.0405","0.0368","","","0.0998","0.1031","","","","","","0.993","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215480","8.405","0.011","16.69","0.02","9.156","0.013","90","","117.32","0.08","90","","1141","3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H37 N O6 -","- C23 H37 N O6 -","- C46 H74 N2 O12 -","2","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.0673","0.063","","","0.1606","0.1643","","","","","","1.047","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215481","14.566","0.01","9.991","0.007","17.129","0.011","90","","112.74","0.013","90","","2299","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 N O6 -","- C21 H17 N O6 -","- C84 H68 N4 O24 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.1429","0.0866","","","0.2308","0.2754","","","","","","1.016","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215482","14.494","0.005","8.794","0.005","19.179","0.005","90","","111.665","0.005","90","","2271.9","1.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H37 N O6 -","- C23 H37 N O6 -","- C92 H148 N4 O24 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.0628","0.0502","","","0.1366","0.1483","","","","","","1.066","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215483","29.446","0.014","39.144","0.019","17.41","0.008","90","","90","","90","","20067","16","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C51 H89 N3 O7 -","- C51 H89 N3 O7 -","- C816 H1424 N48 O112 -","16","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.0502","0.039","","","0.0987","0.1067","","","","","","1.147","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215484","17.9447","0.0004","19.1082","0.0004","11.5533","0.0002","90","","90","","90","","3961.52","0.14","296","2","296","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C44 H36 Mo2 N16 -","- C44 H36 Mo2 N16 -","- C176 H144 Mo8 N64 -","4","0.5","","Hsu, Wayne; Li, Yu-Sian; He, Hsiu-Yi; Chen, Kuan-Ting; Wu, Hong-Sheng; Proserpio, Davide M.; Chen, Jhy-Der; Wang, Ju-Chun","Stepwise formation of heteronuclear coordination networks based on quadruple-bonded dimolybdenum units containing formamidinate ligands","CrystEngComm","2014","16","32","7385","","10.1039/C4CE00474D","","","0.71073","MoKα","","0.0525","0.0289","","","0.0591","0.0673","","","","","","1.018","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215485","14.9903","0.0008","9.2196","0.0005","20.0369","0.0011","90","","101.615","0.003","90","","2712.5","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22.5 H20 Br2 Hg Mo N8 O0.5 -","- C22.5 H19.5 Br2 Hg Mo N8 O0.5 -","- C90 H78 Br8 Hg4 Mo4 N32 O2 -","4","1","","Hsu, Wayne; Li, Yu-Sian; He, Hsiu-Yi; Chen, Kuan-Ting; Wu, Hong-Sheng; Proserpio, Davide M.; Chen, Jhy-Der; Wang, Ju-Chun","Stepwise formation of heteronuclear coordination networks based on quadruple-bonded dimolybdenum units containing formamidinate ligands","CrystEngComm","2014","16","32","7385","","10.1039/C4CE00474D","","","0.71073","MoKα","","0.077","0.0458","","","0.1127","0.1275","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215486","15.3948","0.0003","9.2721","0.0002","20.2932","0.0003","90","","103.088","0.001","90","","2821.45","0.09","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22.5 H20 Hg I2 Mo N8 O0.5 -","- C22.5 H19.5 Hg I2 Mo N8 O0.5 -","- C90 H78 Hg4 I8 Mo4 N32 O2 -","4","1","","Hsu, Wayne; Li, Yu-Sian; He, Hsiu-Yi; Chen, Kuan-Ting; Wu, Hong-Sheng; Proserpio, Davide M.; Chen, Jhy-Der; Wang, Ju-Chun","Stepwise formation of heteronuclear coordination networks based on quadruple-bonded dimolybdenum units containing formamidinate ligands","CrystEngComm","2014","16","32","7385","","10.1039/C4CE00474D","","","0.71073","MoKα","","0.0605","0.0497","","","0.1496","0.1618","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215487","12.8206","0.0007","12.7766","0.0007","17.2962","0.0009","90","","95.517","0.002","90","","2820.1","0.3","99","2","99","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H36 Cl7 Hg3.5 Mo2 N16 -","- C43.92 H35.92 Cl7.2 Hg3.6 Mo2 N16 -","- C87.84 H71.84 Cl14.4 Hg7.2 Mo4 N32 -","2","0.5","","Hsu, Wayne; Li, Yu-Sian; He, Hsiu-Yi; Chen, Kuan-Ting; Wu, Hong-Sheng; Proserpio, Davide M.; Chen, Jhy-Der; Wang, Ju-Chun","Stepwise formation of heteronuclear coordination networks based on quadruple-bonded dimolybdenum units containing formamidinate ligands","CrystEngComm","2014","16","32","7385","","10.1039/C4CE00474D","","","0.71073","MoKα","","0.0742","0.0598","","","0.1541","0.1631","","","","","","1.043","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215488","5.659","0.0013","7.9562","0.0018","19.147","0.004","96.62","0.003","95.808","0.004","98.313","0.003","841.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 Cd3 O20 P4 -","- C28 H22 Cd3 O20 P4 -","- C28 H22 Cd3 O20 P4 -","1","0.5","","Dai, Lu-Lu; Zhu, Yan-Yu; Jiao, Cheng-Qi; Sun, Zhen-Gang; Shi, Shao-Ping; Zhou, Wei; Li, Wen-Zhu; Sun, Tong; Luo, Hui; Ma, Ming-Xue","Syntheses, structures, luminescence and molecular recognition properties of four new cadmium carboxyphosphonates with 2D layered and 3D supramolecular structures","CrystEngComm","2014","16","23","5050","","10.1039/c4ce00040d","","","0.71073","MoKα","","0.0563","0.0525","","","0.1493","0.1553","","","","","","1.073","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215489","18.2285","0.0013","12.4643","0.0009","18.4247","0.0019","90","","117.261","0.001","90","","3721.2","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 Cd N2 O7 P -","- C17 H17 Cd N2 O7 P -","- C136 H136 Cd8 N16 O56 P8 -","8","1","","Dai, Lu-Lu; Zhu, Yan-Yu; Jiao, Cheng-Qi; Sun, Zhen-Gang; Shi, Shao-Ping; Zhou, Wei; Li, Wen-Zhu; Sun, Tong; Luo, Hui; Ma, Ming-Xue","Syntheses, structures, luminescence and molecular recognition properties of four new cadmium carboxyphosphonates with 2D layered and 3D supramolecular structures","CrystEngComm","2014","16","23","5050","","10.1039/c4ce00040d","","","0.71073","MoKα","","0.0396","0.0275","","","0.0647","0.0701","","","","","","1.021","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215490","13.9812","0.0014","14.7218","0.0014","15.0185","0.0014","103.264","0.002","92.471","0.002","110.865","0.001","2784.9","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H44 Cd3 N6 O16 P2 -","- C50 H44 Cd3 N6 O16 P2 -","- C100 H88 Cd6 N12 O32 P4 -","2","1","","Dai, Lu-Lu; Zhu, Yan-Yu; Jiao, Cheng-Qi; Sun, Zhen-Gang; Shi, Shao-Ping; Zhou, Wei; Li, Wen-Zhu; Sun, Tong; Luo, Hui; Ma, Ming-Xue","Syntheses, structures, luminescence and molecular recognition properties of four new cadmium carboxyphosphonates with 2D layered and 3D supramolecular structures","CrystEngComm","2014","16","23","5050","","10.1039/c4ce00040d","","","0.71073","MoKα","","0.0827","0.0512","","","0.1532","0.1738","","","","","","1.038","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215491","11.78","0.0011","9.4034","0.0009","18.8322","0.0018","90","","103.465","0.002","90","","2028.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Cd N2 O9 P -","- C17 H21 Cd N2 O9 P -","- C68 H84 Cd4 N8 O36 P4 -","4","1","","Dai, Lu-Lu; Zhu, Yan-Yu; Jiao, Cheng-Qi; Sun, Zhen-Gang; Shi, Shao-Ping; Zhou, Wei; Li, Wen-Zhu; Sun, Tong; Luo, Hui; Ma, Ming-Xue","Syntheses, structures, luminescence and molecular recognition properties of four new cadmium carboxyphosphonates with 2D layered and 3D supramolecular structures","CrystEngComm","2014","16","23","5050","","10.1039/c4ce00040d","","","0.71073","MoKα","","0.0651","0.0415","","","0.1044","0.1166","","","","","","1.032","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215492","7.81","0.0013","21.238","0.004","26.989","0.005","90","","90","","90","","4476.6","1.4","293","","293","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C14 H18 B F4 O2 S8 -","- C14 H18 B F4.005 O2 S8 -","- C112 H144 B8 F32.04 O16 S64 -","8","1","","Martin, Lee; Wallis, John D.; Guziak, Milena A.; Oxspring, Jack; Lopez, Jordan R.; Nakatsuji, Shin'ichi; Yamada, Jun'ichi; Akutsu, Hiroki","Stereoisomeric semiconducting radical cation salts of chiral bis(2-hydroxypropylthio)ethylenedithioTTF with tetrafluoroborate anions","CrystEngComm","2014","16","24","5424","","10.1039/c4ce00116h","","","0.71075","MoKα","","","0.0486","","","","0.1232","","","","","","1.044","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215493","7.8172","0.0013","21.232","0.004","26.987","0.005","90","","90","","90","","4479.2","1.4","293","","293","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C14 H18 B F4 O2 S8 -","- C14 H18 B F3.993 O2 S8 -","- C112 H144 B8 F31.944 O16 S64 -","8","1","","Martin, Lee; Wallis, John D.; Guziak, Milena A.; Oxspring, Jack; Lopez, Jordan R.; Nakatsuji, Shin'ichi; Yamada, Jun'ichi; Akutsu, Hiroki","Stereoisomeric semiconducting radical cation salts of chiral bis(2-hydroxypropylthio)ethylenedithioTTF with tetrafluoroborate anions","CrystEngComm","2014","16","24","5424","","10.1039/c4ce00116h","","","0.71075","MoKα","","","0.0603","","","","0.1421","","","","","","1.041","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215494","7.81","0.0013","21.238","0.004","26.989","0.005","90","","90","","90","","4476.6","1.4","293","","293","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C14 H18 B F4 O2 S8 -","- C14 H18 B F4 O2 S8 -","- C112 H144 B8 F32 O16 S64 -","8","1","","Martin, Lee; Wallis, John D.; Guziak, Milena A.; Oxspring, Jack; Lopez, Jordan R.; Nakatsuji, Shin'ichi; Yamada, Jun'ichi; Akutsu, Hiroki","Stereoisomeric semiconducting radical cation salts of chiral bis(2-hydroxypropylthio)ethylenedithioTTF with tetrafluoroborate anions","CrystEngComm","2014","16","24","5424","","10.1039/c4ce00116h","","","0.71075","MoKα","","","0.0647","","","","0.2003","","","","","","1.299","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215499","11.5361","0.0003","11.5361","0.0003","37.3168","0.0019","90","","90","","90","","4966.2","0.3","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C27 H23 N3 O5 Zn -","- C26.994 H22 N3 O5 Zn -","- C215.952 H176 N24 O40 Zn8 -","8","1","","Mehlana, Gift; Ramon, Gaëlle; Bourne, Susan A.","The role of C‒H⋯π interactions in modulating the breathing amplitude of a 2D square lattice net: alcohol sorption studies","CrystEngComm","2014","16","35","8160","","10.1039/C4CE00496E","","","0.71073","MoKα","","0.0543","0.0429","","","0.0982","0.1029","","","","","","1.059","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215500","11.5806","0.0003","11.5806","0.0003","34.904","0.002","90","","90","","90","","4681","0.3","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C24 H16 N2 O4 Zn -","- C24 H16 N2 O4 Zn -","- C192 H128 N16 O32 Zn8 -","8","1","","Mehlana, Gift; Ramon, Gaëlle; Bourne, Susan A.","The role of C‒H⋯π interactions in modulating the breathing amplitude of a 2D square lattice net: alcohol sorption studies","CrystEngComm","2014","16","35","8160","","10.1039/C4CE00496E","","","0.71073","MoKα","","0.0483","0.0404","","","0.1283","0.134","","","","","","1.053","","","","has coordinates","180486","2020-10-21","18:00:00",""
"7215501","11.6638","0.0004","11.6638","0.0004","36.79","0.003","90","","90","","90","","5005.1","0.5","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C27 H24 N2 O5 Zn -","- C25.2 H16 N2 O4.4 Zn -","- C201.6 H128 N16 O35.2 Zn8 -","8","1","","Mehlana, Gift; Ramon, Gaëlle; Bourne, Susan A.","The role of C‒H⋯π interactions in modulating the breathing amplitude of a 2D square lattice net: alcohol sorption studies","CrystEngComm","2014","16","35","8160","","10.1039/C4CE00496E","","","0.71073","MoKα","","0.1152","0.0917","","","0.2524","0.2739","","","","","","1.043","","","","has coordinates","180486","2020-10-21","18:00:00",""
"7215502","19.0671","0.0019","10.4052","0.0008","22.384","0.0019","90","","99.004","0.001","90","","4386.2","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H18 Mn N2 O5 -","- C27 H18 Mn N2 O5 -","- C216 H144 Mn8 N16 O40 -","8","1","","Cao, Xinyu; Mu, Bao; Huang, Rudan","Synthesis of a series of coordination polymers based on mixed ligands to tune the structural dimension","CrystEngComm","2014","16","23","5093","","10.1039/c3ce42272k","","","0.71073","MoKα","","0.0745","0.046","","","0.0929","0.1105","","","","","","1.03","","","","has coordinates,has disorder","180486","2020-10-21","18:00:00",""
"7215503","10.7055","0.0007","12.564","0.0009","15.7296","0.001","113.095","0.002","98.85","0.001","102.229","0.001","1834.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H38 Co N4 O11 -","- C39 H38 Co N4 O11 -","- C78 H76 Co2 N8 O22 -","2","1","","Cao, Xinyu; Mu, Bao; Huang, Rudan","Synthesis of a series of coordination polymers based on mixed ligands to tune the structural dimension","CrystEngComm","2014","16","23","5093","","10.1039/c3ce42272k","","","0.71073","MoKα","","0.0918","0.059","","","0.1455","0.1686","","","","","","1.029","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215504","19.0329","0.0018","10.395","0.0009","22.382","0.002","90","","99.021","0.001","90","","4373.4","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H18 Co N2 O5 -","- C27 H18 Co N2 O5 -","- C216 H144 Co8 N16 O40 -","8","1","","Cao, Xinyu; Mu, Bao; Huang, Rudan","Synthesis of a series of coordination polymers based on mixed ligands to tune the structural dimension","CrystEngComm","2014","16","23","5093","","10.1039/c3ce42272k","","","0.71073","MoKα","","0.1072","0.0593","","","0.1441","0.1803","","","","","","1.044","","","","has coordinates","180486","2020-10-21","18:00:00",""
"7215505","19.2419","0.0007","10.4225","0.0003","22.3595","0.0007","90","","98.676","0.001","90","","4432.9","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H18 Cd N2 O5 -","- C27 H18 Cd N2 O5 -","- C216 H144 Cd8 N16 O40 -","8","1","","Cao, Xinyu; Mu, Bao; Huang, Rudan","Synthesis of a series of coordination polymers based on mixed ligands to tune the structural dimension","CrystEngComm","2014","16","23","5093","","10.1039/c3ce42272k","","","0.71073","MoKα","","0.0601","0.0376","","","0.0652","0.0764","","","","","","1.064","","","","has coordinates,has disorder","180486","2020-10-21","18:00:00",""
"7215506","35.13","0.003","7.3946","0.0003","19.1657","0.0013","90","","109.809","0.002","90","","4684.1","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H22 Mn N2 O7 -","- C25 H22 Mn N2 O7 -","- C200 H176 Mn8 N16 O56 -","8","1","","Cao, Xinyu; Mu, Bao; Huang, Rudan","Synthesis of a series of coordination polymers based on mixed ligands to tune the structural dimension","CrystEngComm","2014","16","23","5093","","10.1039/c3ce42272k","","","0.71073","MoKα","","0.1107","0.0567","","","0.0879","0.115","","","","","","1.057","","","","has coordinates","180486","2020-10-21","18:00:00",""
"7215507","35.083","0.003","7.294","0.0005","19.1329","0.0017","90","","109.888","0.002","90","","4604","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H22 Co N2 O7 -","- C25 H22 Co N2 O7 -","- C200 H176 Co8 N16 O56 -","8","1","","Cao, Xinyu; Mu, Bao; Huang, Rudan","Synthesis of a series of coordination polymers based on mixed ligands to tune the structural dimension","CrystEngComm","2014","16","23","5093","","10.1039/c3ce42272k","","","0.71073","MoKα","","0.1128","0.0572","","","0.1147","0.1421","","","","","","0.991","","","","has coordinates","180486","2020-10-21","18:00:00",""
"7215508","7.5718","0.0007","14.0421","0.0019","17.244","0.002","74.534","0.001","83.804","0.001","88.439","0.002","1756.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H34 Cu N2 O12 -","- C40 H34 Cu N2 O12 -","- C80 H68 Cu2 N4 O24 -","2","1","","Cao, Xinyu; Mu, Bao; Huang, Rudan","Synthesis of a series of coordination polymers based on mixed ligands to tune the structural dimension","CrystEngComm","2014","16","23","5093","","10.1039/c3ce42272k","","","0.71073","MoKα","","0.1358","0.069","","","0.0797","0.1025","","","","","","1.095","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215509","12.6755","0.0005","16.983","0.0006","20.7087","0.0011","90","","103.418","0.002","90","","4336.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 Cd2 N4 O10 -","- C50 H36 Cd2 N4 O10 -","- C200 H144 Cd8 N16 O40 -","4","0.5","","Cao, Xinyu; Mu, Bao; Huang, Rudan","Synthesis of a series of coordination polymers based on mixed ligands to tune the structural dimension","CrystEngComm","2014","16","23","5093","","10.1039/c3ce42272k","","","0.71073","MoKα","","0.0597","0.0358","","","0.0572","0.0667","","","","","","1.04","","","","has coordinates","180486","2020-10-21","18:00:00",""
"7215510","31.684","0.004","10.0017","0.0012","13.3763","0.0017","90","","106.607","0.003","90","","4062.1","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14.5 H16 N6 O4.5 Pb S -","- C14.5 H16 N6 O4.5 Pb S -","- C116 H128 N48 O36 Pb8 S8 -","8","1","","Hashemi, Lida; Morsali, Ali","A new lead(ii) nanoporous three-dimensional coordination polymer: pore size effect on iodine adsorption affinity","CrystEngComm","2014","16","23","4955","","10.1039/c4ce00454j","","","0.71073","MoKα","","0.0524","0.0345","","","0.08","0.0885","","","","","","1","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215654","11.3224","0.0003","14.6492","0.0004","18.371","0.0005","71","0.002","78.352","0.002","73.441","0.002","2741.51","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H41 Co Ge2 N9 S6 -","- C12 H41 Co Ge2 N9 S6 -","- C48 H164 Co4 Ge8 N36 S24 -","4","2","","Lichte, Jessica; Näther, Christian; Bensch, Wolfgang","Polymorphism and tautomerism in [dienH2][Co(dien)2][Ge2S6] leading to different hydrogen bonded networks","CrystEngComm","2014","16","25","5551","","10.1039/c4ce00312h","","","0.71073","MoKα","","0.0545","0.0388","","","0.0854","0.0908","","","","","","1.043","","","","has coordinates,has disorder","301864","2025-08-22","15:14:34",""
"7215655","7.2034","0.0005","9.2773","0.0006","11.4365","0.0008","74.107","0.005","73.402","0.005","71.293","0.005","679.62","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H41 Co Ge2 N9 S6 -","- C12 H41 Co Ge2 N9 S6 -","- C12 H41 Co Ge2 N9 S6 -","1","0.5","","Lichte, Jessica; Näther, Christian; Bensch, Wolfgang","Polymorphism and tautomerism in [dienH2][Co(dien)2][Ge2S6] leading to different hydrogen bonded networks","CrystEngComm","2014","16","25","5551","","10.1039/c4ce00312h","","","0.71073","MoKα","","0.0336","0.0295","","","0.0728","0.0744","","","","","","1.11","","","","has coordinates,has disorder","180487","2020-10-21","18:00:00",""
"7215656","15.211","0.0003","16.7025","0.0004","21.8821","0.0004","90","","90","","90","","5559.4","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H41 Co Ge2 N9 S6 -","- C12 H41 Co Ge2 N9 S6 -","- C96 H328 Co8 Ge16 N72 S48 -","8","1","","Lichte, Jessica; Näther, Christian; Bensch, Wolfgang","Polymorphism and tautomerism in [dienH2][Co(dien)2][Ge2S6] leading to different hydrogen bonded networks","CrystEngComm","2014","16","25","5551","","10.1039/c4ce00312h","","","0.71073","MoKα","","0.0613","0.0474","","","0.0792","0.0832","","","","","","1.142","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215657","14.7043","0.0003","9.0099","0.0002","21.454","0.0005","90","","90","","90","","2842.32","0.11","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H41 Co Ge2 N9 S6 -","- C12 H41 Co Ge2 N9 S6 -","- C48 H164 Co4 Ge8 N36 S24 -","4","1","","Lichte, Jessica; Näther, Christian; Bensch, Wolfgang","Polymorphism and tautomerism in [dienH2][Co(dien)2][Ge2S6] leading to different hydrogen bonded networks","CrystEngComm","2014","16","25","5551","","10.1039/c4ce00312h","","","0.71073","MoKα","","0.0205","0.0199","","","0.0479","0.0482","","","","","","1.042","","","","has coordinates,has disorder","301864","2025-08-22","15:14:34",""
"7215658","27.144","0.005","6.5905","0.0013","10.766","0.002","90","","90","","90","","1926","0.6","153","2","153","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C17 H14 Cl F6 N4 P Pt -","- C17 H14 Cl F6 N4 P Pt -","- C68 H56 Cl4 F24 N16 P4 Pt4 -","4","0.5","","Zhang, Rui; Liang, Zhenning; Han, Ali; Wu, Haotian; Du, Pingwu; Lai, Wenzhen; Cao, Rui","Structural, spectroscopic and theoretical studies of a vapochromic platinum(ii) terpyridyl complex","CrystEngComm","2014","16","25","5531","","10.1039/c4ce00514g","","","0.71073","MoKα","","0.0502","0.0434","","","0.0978","0.1025","","","","","","1.064","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215659","20.0402","0.0006","20.0402","0.0006","41.6541","0.0013","90","","90","","120","","14487.5","0.8","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C9 H9 Cu N O5 S -","- C9 H9 Cu N O5 S -","- C324 H324 Cu36 N36 O180 S36 -","36","1","","Yang, Jie; Lutz, Martin; Grzech, Anna; Mulder, Fokko M.; Dingemans, Theo J.","Copper-based coordination polymers from thiophene and furan dicarboxylates with high isosteric heats of hydrogen adsorption","CrystEngComm","2014","16","23","5121","","10.1039/c4ce00145a","","","0.71073","MoKα","","0.0473","0.0367","","","0.1204","0.1281","","","","","","1.141","","","","has coordinates,has disorder","180487","2020-10-21","18:00:00",""
"7215660","18.9198","0.0011","18.8335","0.0014","12.6671","0.0008","90","","92.396","0.003","90","","4509.7","0.5","150","2","150","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C18 H12 Cu3 O18 -","- C18 H12 Cu3 O18 -","- C72 H48 Cu12 O72 -","4","0.5","","Yang, Jie; Lutz, Martin; Grzech, Anna; Mulder, Fokko M.; Dingemans, Theo J.","Copper-based coordination polymers from thiophene and furan dicarboxylates with high isosteric heats of hydrogen adsorption","CrystEngComm","2014","16","23","5121","","10.1039/c4ce00145a","","","0.71073","MoKα","","0.0354","0.032","","","0.0835","0.085","","","","","","1.04","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215661","21.4985","0.0013","24.7145","0.0014","24.8218","0.0014","110.166","0.004","112.898","0.003","102.544","0.002","10420.7","1.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C222 H166 Cu24 N10 O120 -","- C222 H166 Cu24 N10 O120 -","- C222 H166 Cu24 N10 O120 -","1","0.5","","Yang, Jie; Lutz, Martin; Grzech, Anna; Mulder, Fokko M.; Dingemans, Theo J.","Copper-based coordination polymers from thiophene and furan dicarboxylates with high isosteric heats of hydrogen adsorption","CrystEngComm","2014","16","23","5121","","10.1039/c4ce00145a","","","0.71073","MoKα","","0.0969","0.0712","","","0.222","0.2456","","","","","","1.057","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215662","11.945","0.0002","9.5273","0.0001","5.3438","0.0001","90","","90","","90","","608.144","0.017","298","2","298","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","Creatine form I","","","- C4 H9 N3 O2 -","- C4 H9 N3 O2 -","- C16 H36 N12 O8 -","4","1","","Arlin, Jean-Baptiste; Bhardwaj, Rajni M.; Johnston, Andrea; Miller, Gary J.; Bardin, Julie; MacDougall, Fiona; Fernandes, Philippe; Shankland, Kenneth; David, William I. F.; Florence, Alastair J.","Structure and stability of two polymorphs of creatine and its monohydrate","CrystEngComm","2014","16","35","8197","","10.1039/C4CE00508B","powder diffraction","","1.54056","","","","","","","","","","","2.099","","","","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215663","9.845","0.0003","5.8373","0.0002","11.6698","0.0003","90","","105.723","0.002","90","","645.55","0.03","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Creatine form II","","","- C4 H9 N3 O2 -","- C4 H9 N3 O2 -","- C16 H36 N12 O8 -","4","1","","Arlin, Jean-Baptiste; Bhardwaj, Rajni M.; Johnston, Andrea; Miller, Gary J.; Bardin, Julie; MacDougall, Fiona; Fernandes, Philippe; Shankland, Kenneth; David, William I. F.; Florence, Alastair J.","Structure and stability of two polymorphs of creatine and its monohydrate","CrystEngComm","2014","16","35","8197","","10.1039/C4CE00508B","powder diffraction","","1.54056","","","","","","","","","","","3.538","","","","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215664","17.4929","0.0014","4.7791","0.0004","10.1101","0.0008","90","","90","","90","","845.21","0.12","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","Creatine formic acid solvate","","","- C5 H11 N3 O4 -","- C5 H11 N3 O4 -","- C20 H44 N12 O16 -","4","1","","Arlin, Jean-Baptiste; Bhardwaj, Rajni M.; Johnston, Andrea; Miller, Gary J.; Bardin, Julie; MacDougall, Fiona; Fernandes, Philippe; Shankland, Kenneth; David, William I. F.; Florence, Alastair J.","Structure and stability of two polymorphs of creatine and its monohydrate","CrystEngComm","2014","16","35","8197","","10.1039/C4CE00508B","","","0.71073","MoKα","","0.0595","0.0397","","","0.0831","0.0934","","","","","","1.013","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215667","7.2376","0.0006","8.981","0.0008","10.8011","0.0008","87.807","0.007","76.086","0.007","87.04","0.007","680.33","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","isonicotinamide - 3,5-dinitrobenzoic acid","4-Carbamoylpyridinium 3,5-dinitrobenzoate","","- C13 H10 N4 O7 -","- C13 H10 N4 O7 -","- C26 H20 N8 O14 -","2","1","","Seaton, Colin C.","Proton location in acid⋯pyridine hydrogen bonds of multi-component crystals","CrystEngComm","2014","16","26","5878","","10.1039/c4ce00043a","","","0.71073","MoKα","","0.0603","0.043","","","0.1102","0.1181","","","","","","0.974","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215668","7.0678","0.0004","8.8189","0.0005","16.2172","0.0009","93.761","0.005","90.458","0.005","95.498","0.005","1003.9","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3,5-dinitrobenzoic acid isonicotinamide 3-aminobenzoic acid","","- C20 H17 N5 O9 -","- C20 H17 N5 O9 -","- C40 H34 N10 O18 -","2","1","","Seaton, Colin C.","Proton location in acid⋯pyridine hydrogen bonds of multi-component crystals","CrystEngComm","2014","16","26","5878","","10.1039/c4ce00043a","","","0.71073","MoKα","","0.0843","0.0376","","","0.0585","0.0634","","","","","","0.781","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215669","12.8093","0.0014","13.1563","0.0012","7.4708","0.0008","90","","90","","90","","1259","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","pyridinium-4-carboxamide 2,4,6-trihydroxybenzoate","","- C13 H12 N2 O6 -","- C13 H12 N2 O6 -","- C52 H48 N8 O24 -","4","1","","Seaton, Colin C.","Proton location in acid⋯pyridine hydrogen bonds of multi-component crystals","CrystEngComm","2014","16","26","5878","","10.1039/c4ce00043a","","","0.71073","MoKα","","0.0588","0.0352","","","0.0453","0.0482","","","","","","0.825","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215670","13.013","0.002","8.7755","0.0016","8.4187","0.0013","90","","103.902","0.005","90","","933.2","0.3","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14 H15 La N10 O10 -","- C14 H15 La N10 O10 -","- C28 H30 La2 N20 O20 -","2","0.5","","Vilela, Sérgio M. F.; Ananias, Duarte; Silva, Patrícia; Nolasco, Mariela; Carlos, Luís D.; de Zea Bermudez, Verónica; Rocha, João; Tomé, João P. C.; Almeida Paz, Filipe A.","Coordination polymers based on a glycine-derivative ligand","CrystEngComm","2014","16","35","8119","","10.1039/C4CE00465E","","","0.71073","MoKα","","0.0766","0.0454","","","0.069","0.0766","","","","","","0.995","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215671","11.2216","0.0003","15.0063","0.0004","6.8432","0.0002","90","","90.245","0.002","90","","1152.35","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 Cl N5 O5 -","- C7 H10 Cl N5 O5 -","- C28 H40 Cl4 N20 O20 -","4","1","","Vilela, Sérgio M. F.; Ananias, Duarte; Silva, Patrícia; Nolasco, Mariela; Carlos, Luís D.; de Zea Bermudez, Verónica; Rocha, João; Tomé, João P. C.; Almeida Paz, Filipe A.","Coordination polymers based on a glycine-derivative ligand","CrystEngComm","2014","16","35","8119","","10.1039/C4CE00465E","","","0.71073","MoKα","","0.0657","0.0398","","","0.0943","0.1056","","","","","","1.015","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215672","7.2191","0.0005","24.9432","0.0019","7.4918","0.0005","90","","113.281","0.005","90","","1239.19","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 Cl N5 O4 -","- C9 H12 Cl N5 O4 -","- C36 H48 Cl4 N20 O16 -","4","1","","Vilela, Sérgio M. F.; Ananias, Duarte; Silva, Patrícia; Nolasco, Mariela; Carlos, Luís D.; de Zea Bermudez, Verónica; Rocha, João; Tomé, João P. C.; Almeida Paz, Filipe A.","Coordination polymers based on a glycine-derivative ligand","CrystEngComm","2014","16","35","8119","","10.1039/C4CE00465E","","","0.71073","MoKα","","0.0835","0.0476","","","0.1101","0.1275","","","","","","1.027","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215673","25.5089","0.0009","25.5089","0.0009","34.3318","0.0017","90","","90","","120","","19346.9","1.4","173","2","173","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C104 H458 Cl29 Dy25 Ni2 O364 -","- C96 H158 Cl5 Dy25 Ni2 O184 -","- C192 H316 Cl10 Dy50 Ni4 O368 -","2","0.166667","","Liu, Da-Peng; Peng, Jun-Bo; Lin, Xin-Ping; Huang, Que; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Myo-inositol supported heterometallic Dy24M2 (M = Ni, Mn) cages","CrystEngComm","2014","16","25","5527","","10.1039/c4ce00362d","","","0.71073","MoKα","","0.1879","0.0893","","","0.1902","0.2274","","","","","","0.853","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215674","25.525","0.0011","25.525","0.0011","34.3906","0.0014","90","","90","","120","","19404.5","1.4","173","2","173","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C104 H458 Cl29 Dy25 Mn2 O364 -","- C96 H158 Cl5 Dy25 Mn2 O184 -","- C192 H316 Cl10 Dy50 Mn4 O368 -","2","0.166667","","Liu, Da-Peng; Peng, Jun-Bo; Lin, Xin-Ping; Huang, Que; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Myo-inositol supported heterometallic Dy24M2 (M = Ni, Mn) cages","CrystEngComm","2014","16","25","5527","","10.1039/c4ce00362d","","","0.71073","MoKα","","0.2094","0.0877","","","0.1767","0.2193","","","","","","0.82","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215675","10.015","0.0006","9.668","0.0006","26.365","0.0016","90","","97.999","0.005","90","","2528","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C60 H48 N18 -","- C60 H48 N18 -","- C120 H96 N36 -","2","0.5","","Shi, Hua-Yu; Dong, Yun-Bo; Liu, Ying-Ying; Ma, Jian-Fang","Multinuclear coordination polymers based on Ag⋯Ag interaction: syntheses, structures, and luminescence properties","CrystEngComm","2014","16","23","5110","","10.1039/c4ce00236a","","","0.71069","MoKα","","0.1345","0.0743","","","0.1935","0.241","","","","","","1.002","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215676","11.653","0.0006","12.157","0.0007","13.87","0.0008","67.552","0.005","89.98","0.006","69.718","0.005","1683.55","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 Ag2 N10 O6 -","- C34 H26 Ag2 N10 O6 -","- C68 H52 Ag4 N20 O12 -","2","1","","Shi, Hua-Yu; Dong, Yun-Bo; Liu, Ying-Ying; Ma, Jian-Fang","Multinuclear coordination polymers based on Ag⋯Ag interaction: syntheses, structures, and luminescence properties","CrystEngComm","2014","16","23","5110","","10.1039/c4ce00236a","","","0.71069","MoKα","","0.0638","0.0486","","","0.1333","0.1468","","","","","","1.031","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215677","20.657","0.0008","14.236","0.0006","23.358","0.0009","90","","103.847","0.004","90","","6669.3","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C69 H56 Ag4 N20 O14 -","- C69 H51 Ag4 N20 O14 -","- C276 H204 Ag16 N80 O56 -","4","0.5","","Shi, Hua-Yu; Dong, Yun-Bo; Liu, Ying-Ying; Ma, Jian-Fang","Multinuclear coordination polymers based on Ag⋯Ag interaction: syntheses, structures, and luminescence properties","CrystEngComm","2014","16","23","5110","","10.1039/c4ce00236a","","","0.71069","MoKα","","0.0977","0.0571","","","0.1478","0.1736","","","","","","1.01","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215678","10.986","0.0004","12.307","0.0005","13.891","0.0006","82.446","0.004","68.707","0.004","71.97","0.003","1663.6","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 Ag3 N10 O7 -","- C34 H26 Ag3 N10 O7 -","- C68 H52 Ag6 N20 O14 -","2","1","","Shi, Hua-Yu; Dong, Yun-Bo; Liu, Ying-Ying; Ma, Jian-Fang","Multinuclear coordination polymers based on Ag⋯Ag interaction: syntheses, structures, and luminescence properties","CrystEngComm","2014","16","23","5110","","10.1039/c4ce00236a","","","0.71069","MoKα","","0.0621","0.0435","","","0.092","0.1032","","","","","","1.02","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215679","13.04","0.0008","13.95","0.0011","22.54","0.0015","107.566","0.007","96.682","0.005","96.412","0.006","3835.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H58 Ag6 N22 O16 -","- C74 H54 Ag6 N22 O16 -","- C148 H108 Ag12 N44 O32 -","2","1","","Shi, Hua-Yu; Dong, Yun-Bo; Liu, Ying-Ying; Ma, Jian-Fang","Multinuclear coordination polymers based on Ag⋯Ag interaction: syntheses, structures, and luminescence properties","CrystEngComm","2014","16","23","5110","","10.1039/c4ce00236a","","","0.71069","MoKα","","0.1821","0.0841","","","0.1783","0.2334","","","","","","0.988","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215680","12.675","0.0005","14.312","0.0007","15.22","0.0007","106.736","0.004","99.655","0.004","115.188","0.004","2254.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H34 Ag5 N10 O12 -","- C46 H29 Ag5 N10 O12 -","- C92 H58 Ag10 N20 O24 -","2","1","","Shi, Hua-Yu; Dong, Yun-Bo; Liu, Ying-Ying; Ma, Jian-Fang","Multinuclear coordination polymers based on Ag⋯Ag interaction: syntheses, structures, and luminescence properties","CrystEngComm","2014","16","23","5110","","10.1039/c4ce00236a","","","0.71073","MoKα","","0.0796","0.0498","","","0.1068","0.1245","","","","","","1.015","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215681","11.486","0.0006","12.951","0.0008","13.976","0.0006","85.015","0.004","79.768","0.004","65.61","0.005","1863.14","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 Ag2 N9 O8 -","- C42 H32 Ag2 N9 O8 -","- C84 H64 Ag4 N18 O16 -","2","1","","Shi, Hua-Yu; Dong, Yun-Bo; Liu, Ying-Ying; Ma, Jian-Fang","Multinuclear coordination polymers based on Ag⋯Ag interaction: syntheses, structures, and luminescence properties","CrystEngComm","2014","16","23","5110","","10.1039/c4ce00236a","","","0.71069","MoKα","","0.1017","0.0612","","","0.1375","0.163","","","","","","1.021","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215682","10.325","0.0007","14.158","0.001","14.916","0.001","68.417","0.007","71.336","0.007","81.65","0.006","1920","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H62 Ag6 N18 O18 -","- C88 H61 Ag6 N18 O18 -","- C88 H61 Ag6 N18 O18 -","1","0.5","","Shi, Hua-Yu; Dong, Yun-Bo; Liu, Ying-Ying; Ma, Jian-Fang","Multinuclear coordination polymers based on Ag⋯Ag interaction: syntheses, structures, and luminescence properties","CrystEngComm","2014","16","23","5110","","10.1039/c4ce00236a","","","0.71069","MoKα","","0.0814","0.0512","","","0.103","0.1197","","","","","","1.067","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215683","11.927","0.0007","13.94","0.0007","14.06","0.0009","71.773","0.005","79.535","0.005","74.679","0.005","2128.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H33 Ag3 N9 O10 -","- C46 H31 Ag3 N9 O10 -","- C92 H62 Ag6 N18 O20 -","2","1","","Shi, Hua-Yu; Dong, Yun-Bo; Liu, Ying-Ying; Ma, Jian-Fang","Multinuclear coordination polymers based on Ag⋯Ag interaction: syntheses, structures, and luminescence properties","CrystEngComm","2014","16","23","5110","","10.1039/c4ce00236a","","","0.71069","MoKα","","0.1174","0.0646","","","0.1405","0.176","","","","","","1.023","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215688","29.127","0.003","6.885","0.0002","18.849","0.0008","90","","114.089","0.006","90","","3450.8","0.4","100","2","100","2","","","","","","","see text","5","C 1 2 1","C 2y","5","Levofloxacin hemihydrate","","","- C36 H42 F2 N6 O9 -","- C36 H42 F2 N6 O9 -","- C144 H168 F8 N24 O36 -","4","1","","Singh, Shiv Shankar; Thakur, Tejender S.","New crystalline salt forms of levofloxacin: conformational analysis and attempts towards the crystal structure prediction of the anhydrous form","CrystEngComm","2014","16","20","4215","","10.1039/c4ce00263f","","x-ray","0.71073","MoKα","","0.1176","0.0624","","","0.1404","0.1636","","","","","","1.021","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215689","6.745","0.005","13.836","0.009","18.393","0.012","90","","95.38","0.011","90","","1709","2","100","2","100","2","","","","","","","see text","5","P 1 21 1","P 2yb","4","Levofloxacin Monohydrate","","","- C18 H22 F N3 O5 -","- C18 H22 F N3 O5 -","- C72 H88 F4 N12 O20 -","4","2","","Singh, Shiv Shankar; Thakur, Tejender S.","New crystalline salt forms of levofloxacin: conformational analysis and attempts towards the crystal structure prediction of the anhydrous form","CrystEngComm","2014","16","20","4215","","10.1039/c4ce00263f","","x-ray","0.71075","MoKα","","0.0768","0.061","","","0.1431","0.151","","","","","","1.069","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215690","17.856","0.003","6.989","0.001","36.502","0.007","90","","99.282","0.006","90","","4495.6","1.3","293","2","293","2","","","","","","","see text","5","C 1 2 1","C 2y","5","Levofloxacin Malonic Acid Hydrate","","","- C21 H21 F N3 O9 -","- C21 H21 F N3 O9 -","- C168 H168 F8 N24 O72 -","8","2","","Singh, Shiv Shankar; Thakur, Tejender S.","New crystalline salt forms of levofloxacin: conformational analysis and attempts towards the crystal structure prediction of the anhydrous form","CrystEngComm","2014","16","20","4215","","10.1039/c4ce00263f","","x-ray","0.71075","MoKα","","0.1829","0.0963","","","0.2613","0.3253","","","","","","1.032","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215691","6.83","0.004","34.84","0.02","9.908","0.006","90","","105.713","0.012","90","","2270","2","293","2","293","2","","","","","","","see text","5","P 1 21 1","P 2yb","4","Levofloxacin Maleic acid salt","","","- C22 H20 F N3 O8 -","- C22 H20 F N3 O8 -","- C88 H80 F4 N12 O32 -","4","2","","Singh, Shiv Shankar; Thakur, Tejender S.","New crystalline salt forms of levofloxacin: conformational analysis and attempts towards the crystal structure prediction of the anhydrous form","CrystEngComm","2014","16","20","4215","","10.1039/c4ce00263f","","x-ray","0.71073","MoKα","","0.1829","0.0869","","","0.1726","0.2264","","","","","","1.025","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215692","18.103","0.0012","6.741","0.0004","23.923","0.0017","90","","93.8","0.007","90","","2913","0.3","293","2","293","2","","","","","","","see text","5","C 1 2 1","C 2y","5","Levofloxacin Tetramethylene glutaric acid salt","","","- C27 H29 F N3 O8 -","- C27 H29 F N3 O8 -","- C108 H116 F4 N12 O32 -","4","1","","Singh, Shiv Shankar; Thakur, Tejender S.","New crystalline salt forms of levofloxacin: conformational analysis and attempts towards the crystal structure prediction of the anhydrous form","CrystEngComm","2014","16","20","4215","","10.1039/c4ce00263f","","x-ray","0.71073","MoKα","","0.1699","0.0887","","","0.2253","0.2615","","","","","","0.996","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215693","9.984","0.002","17.199","0.003","19.058","0.004","67.254","0.008","86.503","0.012","77.145","0.011","2941.2","1","100","2","100","2","","","","","","","see text","5","P 1","P 1","1","","","","- C114 H126 F6 N18 O47 -","- C114 H126 F6 N18 O47 -","- C114 H126 F6 N18 O47 -","1","1","","Singh, Shiv Shankar; Thakur, Tejender S.","New crystalline salt forms of levofloxacin: conformational analysis and attempts towards the crystal structure prediction of the anhydrous form","CrystEngComm","2014","16","20","4215","","10.1039/c4ce00263f","","x-ray","0.71073","MoKα","","0.0544","0.0458","","","0.1102","0.1161","","","","","","1.013","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215694","17.06","0.02","6.916","0.007","19.12","0.02","90","","110.106","0.017","90","","2118","4","293","2","293","2","","","","","","","see text","5","C 1 2 1","C 2y","5","","","","- C20 H21 F N3 O8 -","- C20 H21 F N3 O8 -","- C80 H84 F4 N12 O32 -","4","1","","Singh, Shiv Shankar; Thakur, Tejender S.","New crystalline salt forms of levofloxacin: conformational analysis and attempts towards the crystal structure prediction of the anhydrous form","CrystEngComm","2014","16","20","4215","","10.1039/c4ce00263f","","x-ray","0.71073","MoKα","","0.1369","0.0834","","","0.2168","0.2733","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215695","9.135","0.002","12.008","0.003","16.533","0.005","79.91","0.013","78.135","0.014","73.833","0.013","1691.1","0.8","100","","100","2","","","","","","","see text","5","P 1","P 1","1","Levofloxacin 3,5-dinitrobenzoate 1:2","","","- C32 H28 F N7 O16 -","- C32 H28 F N7 O16 -","- C64 H56 F2 N14 O32 -","2","2","","Singh, Shiv Shankar; Thakur, Tejender S.","New crystalline salt forms of levofloxacin: conformational analysis and attempts towards the crystal structure prediction of the anhydrous form","CrystEngComm","2014","16","20","4215","","10.1039/c4ce00263f","","x-ray","0.71075","MoKα","","0.0438","0.0353","","","0.0824","0.0888","","","","","","1.01","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215696","9.9165","0.0006","13.0528","0.0007","10.9693","0.0007","90","","101.633","0.006","90","","1390.68","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H10 Mn N2 O5 -","- C12 H8 Mn N2 O5 -","- C48 H32 Mn4 N8 O20 -","4","2","","He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses of two coordination polymers with rutile-type topology and the single-crystal-to-single-crystal transformation of Mg(ii) complex induced by methanol","CrystEngComm","2014","16","20","4210","","10.1039/c3ce42660b","","","0.71073","MoKα","","0.138","0.0725","","","0.1713","0.2182","","","","","","1.04","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215697","9.846","0.0012","12.8415","0.0013","10.9975","0.0013","90","","99.39","0.012","90","","1371.9","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H10 Mg N2 O5 -","- C12 H8 Mg N2 O5 -","- C48 H32 Mg4 N8 O20 -","4","2","","He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses of two coordination polymers with rutile-type topology and the single-crystal-to-single-crystal transformation of Mg(ii) complex induced by methanol","CrystEngComm","2014","16","20","4210","","10.1039/c3ce42660b","","","0.71073","MoKα","","0.0927","0.066","","","0.1697","0.1923","","","","","","1.054","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215698","7.699","0.003","7.897","0.003","9.378","0.003","84.34","0.03","72.67","0.03","64.01","0.04","488.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 Mg N2 O8 -","- C16 H24 Mg N2 O8 -","- C16 H24 Mg N2 O8 -","1","0.5","","He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses of two coordination polymers with rutile-type topology and the single-crystal-to-single-crystal transformation of Mg(ii) complex induced by methanol","CrystEngComm","2014","16","20","4210","","10.1039/c3ce42660b","","","0.71073","MoKα","","0.0986","0.0649","","","0.1756","0.2124","","","","","","1.037","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215699","5.1633","0.0011","9.5569","0.0019","12.229","0.003","87.326","0.003","83.816","0.003","76.459","0.003","583.1","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H12 N10 O3 -","- C6 H12 N10 O3 -","- C12 H24 N20 O6 -","2","1","","Su, Zhiyong; Liu, Xiangyu; Yang, Qi; Zhang, Sheng; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli","Intermolecular interaction influenced energy and sensitivity of highly energetic salts: structure and physicochemical properties","CrystEngComm","2014","16","20","4245","","10.1039/c4ce00259h","","","0.71073","MoKα","","0.0839","0.0667","","","0.2099","0.2373","","","","","","1.016","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215700","3.6377","0.001","11.723","0.003","12.387","0.003","90","","97.696","0.005","90","","523.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N10 O4 -","- C4 H8 N10 O4 -","- C8 H16 N20 O8 -","2","0.5","","Su, Zhiyong; Liu, Xiangyu; Yang, Qi; Zhang, Sheng; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli","Intermolecular interaction influenced energy and sensitivity of highly energetic salts: structure and physicochemical properties","CrystEngComm","2014","16","20","4245","","10.1039/c4ce00259h","","","0.71073","MoKα","","0.0902","0.0529","","","0.1315","0.1819","","","","","","1.04","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215701","13.559","0.003","8.9163","0.0017","6.7232","0.0013","90","","93.051","0.004","90","","811.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H7 N7 O6 -","- C2 H7 N7 O6 -","- C8 H28 N28 O24 -","4","1","","Su, Zhiyong; Liu, Xiangyu; Yang, Qi; Zhang, Sheng; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli","Intermolecular interaction influenced energy and sensitivity of highly energetic salts: structure and physicochemical properties","CrystEngComm","2014","16","20","4245","","10.1039/c4ce00259h","","","0.71073","MoKα","","0.0674","0.043","","","0.097","0.1099","","","","","","1.007","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215702","7.1272","0.0012","12.249","0.002","12.943","0.002","71.973","0.002","89.308","0.002","89.483","0.002","1074.4","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Acetone Solvate (2)","","","- C38 H48 Ag2 B2 F8 N8 O2 -","- C38 H48 Ag2 B2 F8 N8 O2 -","- C38 H48 Ag2 B2 F8 N8 O2 -","1","0.5","","du Plessis, Marike; Smith, Vincent J.; Barbour, Leonard J.","Single-crystal to single-crystal guest exchange and phase transformations in a porous metallocycle","CrystEngComm","2014","16","20","4126","","10.1039/c4ce00244j","","","0.71073","MoKα","","0.0322","0.031","","","0.0753","0.0759","","","","","","1.174","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215703","7.091","0.0019","20.479","0.006","14.855","0.005","90","","91.038","0.004","90","","2156.8","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Chloroform Solvate (3)","","","- C34 H38 Ag2 B2 Cl6 F8 N8 -","- C34 H38 Ag2 B2 Cl6 F8 N8 -","- C68 H76 Ag4 B4 Cl12 F16 N16 -","2","0.5","","du Plessis, Marike; Smith, Vincent J.; Barbour, Leonard J.","Single-crystal to single-crystal guest exchange and phase transformations in a porous metallocycle","CrystEngComm","2014","16","20","4126","","10.1039/c4ce00244j","","","0.71073","MoKα","","0.0807","0.0573","","","0.1403","0.1515","","","","","","1.061","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215704","7.102","0.0018","12.388","0.003","12.794","0.003","72.237","0.004","89.284","0.004","89.239","0.004","1071.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Benzene Solvate","","","- C38 H42 Ag2 B2 F8 N8 -","- C37.994 H41.994 Ag2 B2 F8 N8 -","- C37.994 H41.994 Ag2 B2 F8 N8 -","1","0.5","","du Plessis, Marike; Smith, Vincent J.; Barbour, Leonard J.","Single-crystal to single-crystal guest exchange and phase transformations in a porous metallocycle","CrystEngComm","2014","16","20","4126","","10.1039/c4ce00244j","","","0.71073","MoKα","","0.051","0.0372","","","0.0868","0.0937","","","","","","1.005","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7215705","7.0814","0.0011","12.445","0.002","12.837","0.002","71.505","0.002","89.185","0.002","89.43","0.002","1072.7","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Difluorobenzene Solvate","","","- C38 H40 Ag2 B2 F10 N8 -","- C38 H40 Ag2 B2 F10 N8 -","- C38 H40 Ag2 B2 F10 N8 -","1","0.5","","du Plessis, Marike; Smith, Vincent J.; Barbour, Leonard J.","Single-crystal to single-crystal guest exchange and phase transformations in a porous metallocycle","CrystEngComm","2014","16","20","4126","","10.1039/c4ce00244j","","","0.71073","MoKα","","0.051","0.0459","","","0.1125","0.1148","","","","","","1.153","","","","has coordinates,has disorder","301864","2025-08-22","15:14:34",""
"7215706","6.9746","0.001","12.0647","0.0017","13.1454","0.0018","72.422","0.002","87.762","0.002","86.363","0.002","1052.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Toluene Solvate (6)","","","- C39 H43 Ag2 B2 F8 N8 -","- C39 H43 Ag2 B2 F8 N8 -","- C39 H43 Ag2 B2 F8 N8 -","1","0.5","","du Plessis, Marike; Smith, Vincent J.; Barbour, Leonard J.","Single-crystal to single-crystal guest exchange and phase transformations in a porous metallocycle","CrystEngComm","2014","16","20","4126","","10.1039/c4ce00244j","","","0.71073","MoKα","","0.0552","0.0412","","","0.0911","0.0962","","","","","","1.026","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215707","5.6482","0.0011","15.05","0.003","8.6769","0.0017","90","","93.73","0.03","90","","736","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N4 O2 -","- C18 H14 N4 O2 -","- C36 H28 N8 O4 -","2","0.5","","Cheng, Nongyi; Yan, Qifan; Liu, Shuai; Zhao, Dahui","Probing the intermolecular interactions of aromatic amides containing N-heterocycles and triptycene","CrystEngComm","2014","16","20","4265","","10.1039/c4ce00089g","","","0.71073","MoKα","","0.0664","0.0614","","","0.1283","0.1313","","","","","","1.191","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215708","18.047","0.004","5.2394","0.001","7.8799","0.0016","90","","94.25","0.03","90","","743","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C40 H32 N4 O4 -","2","0.5","","Cheng, Nongyi; Yan, Qifan; Liu, Shuai; Zhao, Dahui","Probing the intermolecular interactions of aromatic amides containing N-heterocycles and triptycene","CrystEngComm","2014","16","20","4265","","10.1039/c4ce00089g","","","1.54187","CuKα","","0.1104","0.0931","","","0.1685","0.1756","","","","","","1.199","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215709","48.195","0.01","13.492","0.003","19.716","0.004","90","","112.39","0.03","90","","11854","5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 N2 O2 -","- C34 H24 N2 O2 -","- C544 H384 N32 O32 -","16","2","","Cheng, Nongyi; Yan, Qifan; Liu, Shuai; Zhao, Dahui","Probing the intermolecular interactions of aromatic amides containing N-heterocycles and triptycene","CrystEngComm","2014","16","20","4265","","10.1039/c4ce00089g","","","0.71073","MoKα","","0.1407","0.1002","","","0.2549","0.2724","","","","","","1.374","","","","has coordinates,has disorder","301864","2025-08-22","15:14:34",""
"7215710","4.813","0.003","9.377","0.005","15.91","0.009","90","","90.696","0.009","90","","718","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N4 O2 -","- C18 H14 N4 O2 -","- C36 H28 N8 O4 -","2","0.5","","Cheng, Nongyi; Yan, Qifan; Liu, Shuai; Zhao, Dahui","Probing the intermolecular interactions of aromatic amides containing N-heterocycles and triptycene","CrystEngComm","2014","16","20","4265","","10.1039/c4ce00089g","","","0.71073","MoKα","","0.0744","0.0623","","","0.1107","0.1163","","","","","","1.17","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215711","5.4114","0.0011","20.902","0.004","6.7857","0.0014","90","","107.29","0.03","90","","732.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N3 O2 -","- C19 H15 N3 O2 -","- C38 H30 N6 O4 -","2","0.5","","Cheng, Nongyi; Yan, Qifan; Liu, Shuai; Zhao, Dahui","Probing the intermolecular interactions of aromatic amides containing N-heterocycles and triptycene","CrystEngComm","2014","16","20","4265","","10.1039/c4ce00089g","","","0.71073","MoKα","","0.0795","0.0686","","","0.119","0.1244","","","","","","1.208","","","","has coordinates,has disorder","301864","2025-08-22","15:14:34",""
"7215712","5.307","0.0011","21.226","0.004","6.883","0.0014","90","","107.01","0.03","90","","741.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C40 H32 N4 O4 -","2","0.5","","Cheng, Nongyi; Yan, Qifan; Liu, Shuai; Zhao, Dahui","Probing the intermolecular interactions of aromatic amides containing N-heterocycles and triptycene","CrystEngComm","2014","16","20","4265","","10.1039/c4ce00089g","","","0.71073","MoKα","","0.0751","0.064","","","0.1308","0.1369","","","","","","1.152","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215713","31.3858","0.0014","24.8618","0.0013","13.1852","0.0007","90","","112.774","0.005","90","","9486.4","0.9","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C124.5 H122.5 Co9 N23.5 O47.5 -","- C108 H72 Co9 N18 O42 -","- C216 H144 Co18 N36 O84 -","2","0.25","","Kang, Yao; Wang, Fei","A highly-connected metal‒organic framework based on [Co2(μ2-OH2)] units and mononuclear Co centers with high gas uptake capacity","CrystEngComm","2014","16","20","4088","","10.1039/c3ce42361a","","","0.71073","MoKα","","0.0894","0.0639","","","0.1787","0.1941","","","","","","0.955","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215714","29.958","0.004","29.958","0.004","15.57","0.003","90","","90","","120","","12102","3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C32 H40 N12 O16 Pb2 -","- C32 H40 N12 O16 Pb2 -","- C288 H360 N108 O144 Pb18 -","9","0.5","","Guo, Chun-Li; Li, Xiao-Zeng; Zhang, Xing-Mei; Wang, Lu; Zhu, Li-Na","A novel porous metal‒organic framework from a new bis(acylhydrazone) ligand capable of reversibly adsorbing/desorbing water and small alcohol molecules","CrystEngComm","2014","16","20","4095","","10.1039/c4ce00140k","","","0.71073","MoKα","","0.0671","0.0571","","","0.1431","0.1503","","","","","","1.14","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215715","27.13","0.005","11.761","0.002","43.999","0.013","90","","128.01","0.02","90","","11061","5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C124 H84 Cu2 La2 N10 O28 -","- C124 H84 Cu2 La2 N10 O28 -","- C496 H336 Cu8 La8 N40 O112 -","4","1","","Fang, Wei-Hui; Yang, Guo-Yu","Heterometal‒organic framework with pcu net constructed from mixed linear ligands","CrystEngComm","2014","16","20","4091","","10.1039/c4ce00282b","","","0.71073","MoKα","","0.106","0.0879","","","0.2419","0.2648","","","","","","1.028","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215716","6.785","0.005","7.594","0.006","10.591","0.008","70.714","0.015","77.107","0.014","88.869","0.014","501.2","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H6 Cu N4 O4 -","- C8 H6 Cu N4 O4 -","- C16 H12 Cu2 N8 O8 -","2","1","","Yang, Lan; Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Effect of phenylacetic acid coligands on the structures and magnetic properties of azido-bridged copper(ii)-chain compounds","CrystEngComm","2014","16","20","4194","","10.1039/c3ce42532k","","","0.71073","MoKα","","0.1716","0.0858","","","0.1803","0.236","","","","","","1.049","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215717","17.787","0.003","6.6764","0.0013","8.4841","0.0016","90","","102.003","0.003","90","","985.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 Cu N3 O2 -","- C9 H9 Cu N3 O2 -","- C36 H36 Cu4 N12 O8 -","4","1","","Yang, Lan; Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Effect of phenylacetic acid coligands on the structures and magnetic properties of azido-bridged copper(ii)-chain compounds","CrystEngComm","2014","16","20","4194","","10.1039/c3ce42532k","","","0.71073","MoKα","","0.0907","0.0508","","","0.121","0.1628","","","","","","1.003","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215718","13.5498","0.0016","6.5985","0.0008","13.6226","0.0016","90","","116.118","0.002","90","","1093.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 Cu N4 O5 -","- C8 H8 Cu N4 O5 -","- C32 H32 Cu4 N16 O20 -","4","1","","Yang, Lan; Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Effect of phenylacetic acid coligands on the structures and magnetic properties of azido-bridged copper(ii)-chain compounds","CrystEngComm","2014","16","20","4194","","10.1039/c3ce42532k","","","0.71073","MoKα","","0.0439","0.0331","","","0.0795","0.0855","","","","","","1.075","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215719","6.8518","0.0004","11.3764","0.0006","17.4137","0.0008","90","","90","","90","","1357.38","0.12","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-methoxy-6-(naphthalene-2-yliminomethyl)-phenol","2-methoxy-6-(naphthalene-2-yliminomethyl)-phenol","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Zbačnik, M.; Kaitner, B.","Ex situ and in situ monitoring of the syntheses of thermochromic Schiff bases","CrystEngComm","2014","16","20","4162","","10.1039/c3ce42583e","","x-ray","0.71073","MoKα","","0.0328","0.0288","","","0.0732","0.0743","","","","","","1.083","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215720","7.0652","0.0004","11.3687","0.0006","17.5723","0.0008","90","","90","","90","","1411.44","0.13","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-methoxy-6-(naphthalene-2-yliminomethyl)-phenol","2-methoxy-6-(naphthalene-2-yliminomethyl)-phenol","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Zbačnik, M.; Kaitner, B.","Ex situ and in situ monitoring of the syntheses of thermochromic Schiff bases","CrystEngComm","2014","16","20","4162","","10.1039/c3ce42583e","","x-ray","0.71073","MoKα","","0.0592","0.0315","","","0.067","0.0717","","","","","","0.854","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215721","12.2742","0.0003","15.2924","0.0004","16.6009","0.0005","69.246","0.003","80.702","0.002","70.336","0.002","2740.72","0.14","110","2","110","2","","","","","","","","4","P -1","-P 1","2","2-Methoxy-6-(Naphthalene-1-yliminomethyl)-phenol","2-Methoxy-6-(Naphthalene-1-yliminomethyl)-phenol","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C144 H120 N8 O16 -","8","4","","Zbačnik, M.; Kaitner, B.","Ex situ and in situ monitoring of the syntheses of thermochromic Schiff bases","CrystEngComm","2014","16","20","4162","","10.1039/c3ce42583e","","x-ray","0.71073","MoKα","","0.08","0.0387","","","0.0792","0.086","","","","","","0.826","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215722","12.3034","0.0004","15.406","0.0005","16.9536","0.0004","69.62","0.002","80.598","0.002","70.17","0.003","2829.99","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","2-methoxy-6-(naphthalene-1-yliminomethyl)-phenol","2-methoxy-6-(naphthalene-1-yliminomethyl)-phenol","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C144 H120 N8 O16 -","8","4","","Zbačnik, M.; Kaitner, B.","Ex situ and in situ monitoring of the syntheses of thermochromic Schiff bases","CrystEngComm","2014","16","20","4162","","10.1039/c3ce42583e","","x-ray","1.54184","CuKα","","0.0489","0.0441","","","0.1218","0.1284","","","","","","1.039","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215723","11.9796","0.0004","9.9836","0.0004","10.9926","0.0004","90","","103.664","0.004","90","","1277.5","0.08","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(naphthalen-1-yliminomethyl)-benzene-1,4-diol","2-(naphthalen-1-yliminomethyl)-benzene-1,4-diol","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","","Zbačnik, M.; Kaitner, B.","Ex situ and in situ monitoring of the syntheses of thermochromic Schiff bases","CrystEngComm","2014","16","20","4162","","10.1039/c3ce42583e","","x-ray","0.71073","MoKα","","0.0395","0.0347","","","0.0935","0.0958","","","","","","1.071","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215724","11.9699","0.0006","10.1432","0.0007","11.0736","0.0007","90","","103.312","0.005","90","","1308.35","0.14","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(naphthalen-1-yliminomethyl)-benzene-1,4-diol","2-(naphthalen-1-yliminomethyl)-benzene-1,4-diol","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","","Zbačnik, M.; Kaitner, B.","Ex situ and in situ monitoring of the syntheses of thermochromic Schiff bases","CrystEngComm","2014","16","20","4162","","10.1039/c3ce42583e","","x-ray","0.71073","MoKα","","0.0485","0.038","","","0.1104","0.1153","","","","","","1.091","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215725","11.6407","0.0008","12.0666","0.0009","12.0964","0.0008","90","","91.535","0.007","90","","1698.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(benzhydrylimino-methyl)-6-methoxy-phenol","2-(benzhydrylimino-methyl)-6-methoxy-phenol","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","","Zbačnik, M.; Kaitner, B.","Ex situ and in situ monitoring of the syntheses of thermochromic Schiff bases","CrystEngComm","2014","16","20","4162","","10.1039/c3ce42583e","","x-ray","0.71073","MoKα","","0.0716","0.0531","","","0.1191","0.1312","","","","","","1.045","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215726","11.756","0.002","12.176","0.002","12.2037","0.0019","90","","91.224","0.015","90","","1746.5","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(benzhydrylimino-methyl)-6-methoxy-phenol","2-(benzhydrylimino-methyl)-6-methoxy-phenol","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","","Zbačnik, M.; Kaitner, B.","Ex situ and in situ monitoring of the syntheses of thermochromic Schiff bases","CrystEngComm","2014","16","20","4162","","10.1039/c3ce42583e","","x-ray","0.71073","MoKα","","0.2084","0.0345","","","0.0491","0.0651","","","","","","0.605","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215727","12.678","0.012","12.682","0.012","15.44","0.014","90","","96.706","0.01","90","","2465","4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- B20 H22 K8 O57 V6 -","- B20 K8 O57 V6 -","- B40 K16 O114 V12 -","2","0.5","","An, Litao; Zhou, Jian; Xiao, Hong-Ping; Liu, Xing; Zou, Huahong; Pan, Chun-Yang; Liu, Meihua; Li, Jianhui","A series of new 3-D boratopolyoxovanadates containing five types of [KxOy]n building units","CrystEngComm","2014","16","20","4236","","10.1039/c4ce00073k","","","0.71073","MoKα","","0.0408","0.0393","","","0.1162","0.1172","","","","","","1.094","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215728","19.49","0.02","19.16","0.02","20.09","0.02","90","","91.785","0.012","90","","7499","13","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H68 B18 K6 N6 O76 V12 -","- C8 B18 K6 N6 O76 V12 -","- C32 B72 K24 N24 O304 V48 -","4","0.5","","An, Litao; Zhou, Jian; Xiao, Hong-Ping; Liu, Xing; Zou, Huahong; Pan, Chun-Yang; Liu, Meihua; Li, Jianhui","A series of new 3-D boratopolyoxovanadates containing five types of [KxOy]n building units","CrystEngComm","2014","16","20","4236","","10.1039/c4ce00073k","","","0.71073","MoKα","","0.0559","0.0482","","","0.1275","0.133","","","","","","1.181","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215729","22.3371","0.001","12.5753","0.0006","22.3967","0.0011","90","","116.864","0.001","90","","5612.2","0.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H58 B20 K2 N6 O59 V6 -","- C8 H32 B20 K2 N6 O59 V6 -","- C32 H128 B80 K8 N24 O236 V24 -","4","0.5","","An, Litao; Zhou, Jian; Xiao, Hong-Ping; Liu, Xing; Zou, Huahong; Pan, Chun-Yang; Liu, Meihua; Li, Jianhui","A series of new 3-D boratopolyoxovanadates containing five types of [KxOy]n building units","CrystEngComm","2014","16","20","4236","","10.1039/c4ce00073k","","","0.71073","MoKα","","0.0654","0.0632","","","0.1626","0.1645","","","","","","1.057","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215730","18.212","0.002","19.276","0.002","19.306","0.002","90","","90","","90","","6777.5","1.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- B18 H36 K10 O75 V12 -","- B18 K10 O75 V12 -","- B72 K40 O300 V48 -","4","0.5","","An, Litao; Zhou, Jian; Xiao, Hong-Ping; Liu, Xing; Zou, Huahong; Pan, Chun-Yang; Liu, Meihua; Li, Jianhui","A series of new 3-D boratopolyoxovanadates containing five types of [KxOy]n building units","CrystEngComm","2014","16","20","4236","","10.1039/c4ce00073k","","","0.71073","MoKα","","0.0696","0.0621","","","0.194","0.2029","","","","","","1.197","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7215731","11.901","0.012","13.365","0.014","13.987","0.014","117.07","0.011","96.342","0.012","107.344","0.013","1810","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- B18 H46 K10 O80 V12 -","- B18 K10 O80 V12 -","- B18 K10 O80 V12 -","1","0.5","","An, Litao; Zhou, Jian; Xiao, Hong-Ping; Liu, Xing; Zou, Huahong; Pan, Chun-Yang; Liu, Meihua; Li, Jianhui","A series of new 3-D boratopolyoxovanadates containing five types of [KxOy]n building units","CrystEngComm","2014","16","20","4236","","10.1039/c4ce00073k","","","0.71073","MoKα","","0.0753","0.0669","","","0.1924","0.2009","","","","","","1.048","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215732","8.1577","0.0006","10.1407","0.0008","18.2913","0.0014","95.207","0.001","94.88","0.001","98.663","0.001","1482.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 F4 N2 O4 -","- C14 H10 F4 N2 O4 -","- C56 H40 F16 N8 O16 -","4","2","","Wang, Lei; Hu, Yanjing; Wang, Wenqiang; Liu, Faqian; Huang, Keke","Energetic multi-component molecular solids of tetrafluoroterephthalic acid with some aza compounds by strong hydrogen bonds and weak intermolecular interactions of C–H⋯F and C–H⋯O","CrystEngComm","2014","16","20","4142","","10.1039/c4ce00133h","","","0.71073","MoKα","","0.077","0.0568","","","0.167","0.1823","","","","","","1.07","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215733","7.825","0.0004","9.0424","0.0004","11.634","0.0004","92.81","0.003","105.233","0.004","115.272","0.005","705.88","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 F4 N2 O4 -","- C14 H10 F4 N2 O4 -","- C28 H20 F8 N4 O8 -","2","1","","Wang, Lei; Hu, Yanjing; Wang, Wenqiang; Liu, Faqian; Huang, Keke","Energetic multi-component molecular solids of tetrafluoroterephthalic acid with some aza compounds by strong hydrogen bonds and weak intermolecular interactions of C–H⋯F and C–H⋯O","CrystEngComm","2014","16","20","4142","","10.1039/c4ce00133h","","","0.71073","MoKα","","0.0959","0.0637","","","0.1626","0.1871","","","","","","1.034","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215734","4.886","0.0012","11.475","0.003","17.771","0.004","90","","90.01","0.01","90","","996.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 F4 N10 O4 -","- C16 H16 F4 N10 O4 -","- C32 H32 F8 N20 O8 -","2","0.5","","Wang, Lei; Hu, Yanjing; Wang, Wenqiang; Liu, Faqian; Huang, Keke","Energetic multi-component molecular solids of tetrafluoroterephthalic acid with some aza compounds by strong hydrogen bonds and weak intermolecular interactions of C‒H⋯F and C‒H⋯O","CrystEngComm","2014","16","20","4142","","10.1039/c4ce00133h","","","0.71073","MoKα","","0.053","0.044","","","0.1384","0.1446","","","","","","1.083","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215735","7.657","0.0004","10.0492","0.0008","11.3387","0.0004","89.108","0.004","86.461","0.003","83.07","0.005","864.42","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H22 F8 N10 O8 -","- C34 H22 F8 N10 O8 -","- C34 H22 F8 N10 O8 -","1","0.5","","Wang, Lei; Hu, Yanjing; Wang, Wenqiang; Liu, Faqian; Huang, Keke","Energetic multi-component molecular solids of tetrafluoroterephthalic acid with some aza compounds by strong hydrogen bonds and weak intermolecular interactions of C–H⋯F and C–H⋯O","CrystEngComm","2014","16","20","4142","","10.1039/c4ce00133h","","","0.71073","MoKα","","0.068","0.0472","","","0.1202","0.1367","","","","","","1.042","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215736","28.889","0.002","9.7001","0.0008","19.7288","0.0016","90","","129.198","0.001","90","","4284.4","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H30 F12 N6 O12 -","- C48 H29 F12 N6 O12 -","- C192 H116 F48 N24 O48 -","4","0.5","","Wang, Lei; Hu, Yanjing; Wang, Wenqiang; Liu, Faqian; Huang, Keke","Energetic multi-component molecular solids of tetrafluoroterephthalic acid with some aza compounds by strong hydrogen bonds and weak intermolecular interactions of C‒H⋯F and C‒H⋯O","CrystEngComm","2014","16","20","4142","","10.1039/c4ce00133h","","","0.71073","MoKα","","0.1089","0.0626","","","0.1658","0.1912","","","","","","0.909","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215737","7.3027","0.0006","9.6227","0.0007","9.7417","0.0007","94.022","0.006","109.536","0.007","90.479","0.006","643.2","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 F4 N2 O4 -","- C13 H9 F4 N2 O4 -","- C26 H18 F8 N4 O8 -","2","1","","Wang, Lei; Hu, Yanjing; Wang, Wenqiang; Liu, Faqian; Huang, Keke","Energetic multi-component molecular solids of tetrafluoroterephthalic acid with some aza compounds by strong hydrogen bonds and weak intermolecular interactions of C–H⋯F and C–H⋯O","CrystEngComm","2014","16","20","4142","","10.1039/c4ce00133h","","","0.71073","MoKα","","0.0635","0.0448","","","0.1011","0.1181","","","","","","1.054","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215738","6.1044","0.0004","12.0203","0.0006","20.6007","0.0013","90","","97.195","0.005","90","","1499.71","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 F4 N3 O6 -","- C13 H11 F4 N3 O6 -","- C52 H44 F16 N12 O24 -","4","1","","Wang, Lei; Hu, Yanjing; Wang, Wenqiang; Liu, Faqian; Huang, Keke","Energetic multi-component molecular solids of tetrafluoroterephthalic acid with some aza compounds by strong hydrogen bonds and weak intermolecular interactions of C–H⋯F and C–H⋯O","CrystEngComm","2014","16","20","4142","","10.1039/c4ce00133h","","","0.71073","MoKα","","0.1075","0.053","","","0.086","0.1035","","","","","","0.999","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215739","9.0755","0.0004","36.884","0.002","9.7005","0.0003","90","","93.508","0.003","90","","3241.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 F8 N4 O9 -","- C32 H24 F8 N4 O9 -","- C128 H96 F32 N16 O36 -","4","1","","Wang, Lei; Hu, Yanjing; Wang, Wenqiang; Liu, Faqian; Huang, Keke","Energetic multi-component molecular solids of tetrafluoroterephthalic acid with some aza compounds by strong hydrogen bonds and weak intermolecular interactions of C–H⋯F and C–H⋯O","CrystEngComm","2014","16","20","4142","","10.1039/c4ce00133h","","","0.71073","MoKα","","0.0932","0.0548","","","0.111","0.1276","","","","","","1.024","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215740","7.1153","0.0005","8.4148","0.0006","14.4196","0.0013","99.895","0.001","97.073","0.002","111.878","0.001","772.54","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H22 F8 N4 O8 -","- C32 H20 F8 N4 O8 -","- C32 H20 F8 N4 O8 -","1","0.5","","Wang, Lei; Hu, Yanjing; Wang, Wenqiang; Liu, Faqian; Huang, Keke","Energetic multi-component molecular solids of tetrafluoroterephthalic acid with some aza compounds by strong hydrogen bonds and weak intermolecular interactions of C‒H⋯F and C‒H⋯O","CrystEngComm","2014","16","20","4142","","10.1039/c4ce00133h","","","0.71073","MoKα","","0.0644","0.0531","","","0.1488","0.1597","","","","","","1.083","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215741","13.982","0.003","6.4735","0.0015","15.002","0.004","90","","100.43","0.003","90","","1335.4","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-({((1S,2R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-yl)methyl}sulfonyl)ethanol","","- C12 H22 O3 S -","- C12 H22 O3 S -","- C48 H88 O12 S4 -","4","2","","Lodochnikova, Olga A.; Startseva, Valeriya A.; Nikitina, Liliya E.; Bodrov, Andrei V.; Klimovitskii, Alexander E.; Klimovitskii, Evgenii N.; Litvinov, Igor A.","When two symmetrically independent molecules must be different: “Crystallization-induced diastereomerization” of chiral pinanyl sulfone","CrystEngComm","2014","16","20","4314","","10.1039/c3ce42642d","","x-ray","0.71073","MoKα","","0.131","0.0601","","","0.1446","0.1743","","","","","","0.975","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215742","6.7596","0.0002","31.6474","0.0008","7.9922","0.0003","90","","108.548","0.003","90","","1620.91","0.09","110","0.1","110","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H F4 I O2 -","- C7 H F4 I O2 -","- C56 H8 F32 I8 O16 -","8","4","","Takemura, Akihiro; McAllister, Linda J.; Karadakov, Peter B.; Pridmore, Natalie E.; Whitwood, Adrian C.; Bruce, Duncan W.","Competition and cooperation: hydrogen and halogen bonding in co-crystals involving 4-iodotetrafluorobenzoic acid, 4-iodotetrafluorophenol and 4-bromotetrafluorophenol","CrystEngComm","2014","16","20","4254","","10.1039/c4ce00319e","","","0.7107","MoKα","","0.035918","0.034122","","","0.0808","0.084841","","","","","","1.04612","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215743","6.2546","0.0004","7.8761","0.0004","11.5781","0.0006","78.743","0.005","75.347","0.005","83.455","0.005","539.94","0.05","110","0.1","110","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C9 H5 F4 I O2 S -","- C9 H5 F4 I O2 S -","- C18 H10 F8 I2 O4 S2 -","2","1","","Takemura, Akihiro; McAllister, Linda J.; Karadakov, Peter B.; Pridmore, Natalie E.; Whitwood, Adrian C.; Bruce, Duncan W.","Competition and cooperation: hydrogen and halogen bonding in co-crystals involving 4-iodotetrafluorobenzoic acid, 4-iodotetrafluorophenol and 4-bromotetrafluorophenol","CrystEngComm","2014","16","20","4254","","10.1039/c4ce00319e","","","0.7107","MoKα","","0.0383","0.0346","","","0.1","0.1025","","","","","","1.097","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215744","5.7209","0.0007","10.3273","0.0013","14.4539","0.0017","107.044","0.011","99.741","0.01","92.149","0.01","801.24","0.18","110","0.1","110","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C26 H29 F8 I2 N3 O4 S3 -","- C26 H29 F8 I2 N3 O4 S3 -","- C26 H29 F8 I2 N3 O4 S3 -","1","0.5","","Takemura, Akihiro; McAllister, Linda J.; Karadakov, Peter B.; Pridmore, Natalie E.; Whitwood, Adrian C.; Bruce, Duncan W.","Competition and cooperation: hydrogen and halogen bonding in co-crystals involving 4-iodotetrafluorobenzoic acid, 4-iodotetrafluorophenol and 4-bromotetrafluorophenol","CrystEngComm","2014","16","20","4254","","10.1039/c4ce00319e","","","0.7107","MoKα","","0.0695","0.0494","","","0.1024","0.1123","","","","","","1.066","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215745","6.295","0.0003","6.3948","0.0005","8.09","0.003","90","","104.161","0.013","90","","315.77","0.12","110","0.1","110","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 O2 S2 -","- C4 H8 O2 S2 -","- C8 H16 O4 S4 -","2","0.5","","Takemura, Akihiro; McAllister, Linda J.; Karadakov, Peter B.; Pridmore, Natalie E.; Whitwood, Adrian C.; Bruce, Duncan W.","Competition and cooperation: hydrogen and halogen bonding in co-crystals involving 4-iodotetrafluorobenzoic acid, 4-iodotetrafluorophenol and 4-bromotetrafluorophenol","CrystEngComm","2014","16","20","4254","","10.1039/c4ce00319e","","","0.7107","MoKα","","0.0337","0.0292","","","0.0759","0.0827","","","","","","1.139","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215746","5.89886","0.00016","21.0112","0.0005","16.1143","0.0004","90","","95.557","0.003","90","","1987.85","0.09","110.05","0.1","110.05","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Br2 F8 O4 S2 -","- C16 H10 Br2 F8 O4 S2 -","- C64 H40 Br8 F32 O16 S8 -","4","1","","Takemura, Akihiro; McAllister, Linda J.; Karadakov, Peter B.; Pridmore, Natalie E.; Whitwood, Adrian C.; Bruce, Duncan W.","Competition and cooperation: hydrogen and halogen bonding in co-crystals involving 4-iodotetrafluorobenzoic acid, 4-iodotetrafluorophenol and 4-bromotetrafluorophenol","CrystEngComm","2014","16","20","4254","","10.1039/c4ce00319e","","","0.7107","MoKα","","0.0395","0.0292","","","0.0612","0.0651","","","","","","1.032","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215747","9.1682","0.0014","9.4618","0.0016","12.3198","0.0016","75.183","0.014","74.084","0.013","79.202","0.014","985.6","0.3","110","0.1","110","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 F8 I2 O3 S -","- C16 H10 F8 I2 O3 S -","- C32 H20 F16 I4 O6 S2 -","2","1","","Takemura, Akihiro; McAllister, Linda J.; Karadakov, Peter B.; Pridmore, Natalie E.; Whitwood, Adrian C.; Bruce, Duncan W.","Competition and cooperation: hydrogen and halogen bonding in co-crystals involving 4-iodotetrafluorobenzoic acid, 4-iodotetrafluorophenol and 4-bromotetrafluorophenol","CrystEngComm","2014","16","20","4254","","10.1039/c4ce00319e","","","0.7107","MoKα","","0.0317","0.0254","","","0.0517","0.0556","","","","","","1.044","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215748","16.0299","0.0011","4.0059","0.0002","25.154","0.003","90","","106.546","0.009","90","","1548.4","0.2","110","0.1","110","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F4 I N2 O -","- C16 H9 F4 I N2 O -","- C64 H36 F16 I4 N8 O4 -","4","1","","Takemura, Akihiro; McAllister, Linda J.; Karadakov, Peter B.; Pridmore, Natalie E.; Whitwood, Adrian C.; Bruce, Duncan W.","Competition and cooperation: hydrogen and halogen bonding in co-crystals involving 4-iodotetrafluorobenzoic acid, 4-iodotetrafluorophenol and 4-bromotetrafluorophenol","CrystEngComm","2014","16","20","4254","","10.1039/c4ce00319e","","","0.7107","MoKα","","0.0724","0.0651","","","0.1239","0.1267","","","","","","1.325","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215760","10.13","0.002","10.646","0.002","28.531","0.006","90","","94.23","0.03","90","","3068.5","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 Cd2 N10 O10 -","- C30 H18 Cd2 N10 O10 -","- C120 H72 Cd8 N40 O40 -","4","1","","Liu, Kang; Peng, Yu; Yang, Fen; Ma, Dingxuan; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Three metal‒organic frameworks based on the semirigid V-shaped 5-(3-amino-tetrazole-5-phenoxy)-isophthalic acid ligand: syntheses, topological structures and properties","CrystEngComm","2014","16","21","4382","","10.1039/c4ce00105b","","","0.71073","MoKα","","0.0518","0.0394","","","0.0804","0.0859","","","","","","1.085","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215761","19.408","0.004","38.069","0.008","14.436","0.003","90","","105.32","0.03","90","","10287","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H23.5 Mn3 N15 O18.25 -","- C45 H21 Mn3 N15 O18.25 -","- C360 H168 Mn24 N120 O146 -","8","1","","Liu, Kang; Peng, Yu; Yang, Fen; Ma, Dingxuan; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Three metal‒organic frameworks based on the semirigid V-shaped 5-(3-amino-tetrazole-5-phenoxy)-isophthalic acid ligand: syntheses, topological structures and properties","CrystEngComm","2014","16","21","4382","","10.1039/c4ce00105b","","","0.71073","MoKα","","0.1106","0.0652","","","0.1651","0.1917","","","","","","1.014","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215762","9.976","0.002","9.999","0.002","17.099","0.003","85.38","0.03","75.37","0.03","84.31","0.03","1639.5","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H19 Cu3 N10 O12 -","- C30 H18 Cu3 N10 O12.5 -","- C60 H36 Cu6 N20 O25 -","2","1","","Liu, Kang; Peng, Yu; Yang, Fen; Ma, Dingxuan; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Three metal‒organic frameworks based on the semirigid V-shaped 5-(3-amino-tetrazole-5-phenoxy)-isophthalic acid ligand: syntheses, topological structures and properties","CrystEngComm","2014","16","21","4382","","10.1039/c4ce00105b","","","0.71073","MoKα","","0.0601","0.0438","","","0.1169","0.1277","","","","","","1.09","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215763","4.6927","0.0003","13.1132","0.001","14.7084","0.0014","90","","90.09","0.006","90","","905.1","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-hydroxy-3[1-(3,4,5-trimethoxy-benzylimino)-ethyl]chromen-2-one","","- C21 H21 N O6 -","- C21 H21 N O6 -","- C42 H42 N2 O12 -","2","1","","Małecka, Magdalena; Budzisz, Elzbieta","A structural framework of biologically active coumarin derivatives: crystal structure and Hirshfeld surface analysis","CrystEngComm","2014","16","29","6654","","10.1039/c4ce00499j","","","0.71073","MoKα","","0.0574","0.0337","","","0.0536","0.0564","","","","","","0.8","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215764","11.4149","0.0003","15.5812","0.0003","15.0592","0.0004","90","","126.999","0.002","90","","2139.09","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-hydroxy-3-[phenyl-(3,4,5-tromethoxy-bezylimino)-methyl] chromen-2-one","","- C26 H23 N O6 -","- C26 H23 N O6 -","- C104 H92 N4 O24 -","4","1","","Małecka, Magdalena; Budzisz, Elzbieta","A structural framework of biologically active coumarin derivatives: crystal structure and Hirshfeld surface analysis","CrystEngComm","2014","16","29","6654","","10.1039/c4ce00499j","","","0.71073","MoKα","","0.0555","0.0331","","","0.0689","0.0721","","","","","","0.861","","","","has coordinates,has disorder","301864","2025-08-22","15:14:34",""
"7215765","8.166","0.003","17.642","0.003","10.775","0.004","90","","117.06","0.02","90","","1382.4","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-hydroxy-3-[(2-imidazol-1-yl-ethylimino)-methyl]-chromen-2-one","","- C16 H15 N3 O3 -","- C16 H15 N3 O3 -","- C64 H60 N12 O12 -","4","1","","Małecka, Magdalena; Budzisz, Elzbieta","A structural framework of biologically active coumarin derivatives: crystal structure and Hirshfeld surface analysis","CrystEngComm","2014","16","29","6654","","10.1039/c4ce00499j","","","0.6","synchrotron","","0.0366","0.0355","","","0.0977","0.0986","","","","","","1.031","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215766","8.4362","0.0005","10.7119","0.0007","19.9504","0.0017","94.185","0.006","102.2","0.006","94.855","0.005","1748.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H40 Br2 Cd N4 O12 -","- C30 H40 Br2 Cd N4 O12 -","- C60 H80 Br4 Cd2 N8 O24 -","2","1","","Fu, Kai; Ren, Cai-Xia; Chen, Cheng; Cai, Li-Xuan; Tan, Bin; Zhang, Jie","Auxiliary ligand-controlled photochromism and decolourization of two bipyridinium-based metal‒organic hybrid materials with various water clusters","CrystEngComm","2014","16","23","5134","","10.1039/c4ce00295d","","","0.71073","MoKα","","0.0724","0.058","","","0.1523","0.1614","","","","","","1.065","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215767","9.324","0.002","11.882","0.003","12.235","0.003","70.286","0.01","75.784","0.012","68.281","0.011","1174.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H26 Br Cd N2 O10 -","- C19 H26 Br Cd N2 O10 -","- C38 H52 Br2 Cd2 N4 O20 -","2","1","","Fu, Kai; Ren, Cai-Xia; Chen, Cheng; Cai, Li-Xuan; Tan, Bin; Zhang, Jie","Auxiliary ligand-controlled photochromism and decolourization of two bipyridinium-based metal‒organic hybrid materials with various water clusters","CrystEngComm","2014","16","23","5134","","10.1039/c4ce00295d","","","0.71073","MoKα","","0.0633","0.0579","","","0.179","0.1847","","","","","","1.006","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215768","4.8042","0.0002","14.8701","0.0005","15.6243","0.0005","67.284","0.003","85.298","0.003","88.19","0.003","1026.14","0.07","295","2","295","2","","","","","","","","4","P -1","-P 1","2","Tetraglycine","Glycyl-glycyl-glycyl-glycine","","- C8 H14 N4 O5 -","- C8 H14 N4 O5 -","- C32 H56 N16 O20 -","4","2","","Smith, Aaron J.; Ali, Farukh I.; Soldatov, Dmitriy V.","Glycine homopeptides: the effect of the chain length on the crystal structure and solid state reactivity","CrystEngComm","2014","16","31","7196","","10.1039/C4CE00630E","","","1.54184","CuKα","","0.0404","0.0391","","","0.1101","0.1116","","","","","","1.018","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215769","4.7995","0.0003","14.9108","0.0015","17.6905","0.0019","90.203","0.008","94.866","0.007","91.976","0.007","1260.7","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","Pentaglycine","Glycyl-glycyl-glycyl-glycyl-glycine","","- C10 H17 N5 O6 -","- C10 H17 N5 O6 -","- C40 H68 N20 O24 -","4","2","","Smith, Aaron J.; Ali, Farukh I.; Soldatov, Dmitriy V.","Glycine homopeptides: the effect of the chain length on the crystal structure and solid state reactivity","CrystEngComm","2014","16","31","7196","","10.1039/C4CE00630E","","","1.54184","CuKα","","0.1074","0.0858","","","0.235","0.2538","","","","","","1.047","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215770","8.63283","0.00015","8.86281","0.00012","10.25772","0.00013","87.4723","0.0011","78.8034","0.0013","66.0794","0.0015","703.24","0.02","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","EMImTDI","1-Ethyl-3-methylimidazolium 4,5-dicyano-2-(trifluoromethyl)imidazole","","- C12 H11 F3 N6 -","- C12 H11 F3 N6 -","- C24 H22 F6 N12 -","2","1","","Niedzicki, Leszek; Karpierz, Ewelina; Zawadzki, Maciej; Dranka, Maciej; Kasprzyk, Marta; Zalewska, Aldona; Marcinek, Marek; Zachara, Janusz; Domańska, Urszula; Wieczorek, Władysław","Lithium cation conducting TDI anion-based ionic liquids.","Physical chemistry chemical physics : PCCP","2014","16","23","11417","11425","10.1039/c3cp55354j","","x-ray","0.7107","MoKα","","0.0421","0.0408","","","0.1078","0.109","","","","","","1.026","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215771","8.28368","0.00013","11.45842","0.00018","12.57923","0.0002","74.9663","0.0014","77.5238","0.0013","78.6965","0.0013","1113.42","0.03","100","","100","","","","","","","","","5","P -1","-P 1","2","PMImLiTDI","","","- C19 H13 F6 Li N10 -","- C19 H13 F6 Li N10 -","- C38 H26 F12 Li2 N20 -","2","1","","Niedzicki, Leszek; Karpierz, Ewelina; Zawadzki, Maciej; Dranka, Maciej; Kasprzyk, Marta; Zalewska, Aldona; Marcinek, Marek; Zachara, Janusz; Domańska, Urszula; Wieczorek, Władysław","Lithium cation conducting TDI anion-based ionic liquids.","Physical chemistry chemical physics : PCCP","2014","16","23","11417","11425","10.1039/c3cp55354j","","x-ray","1.5418","CuKα","","0.0285","0.0275","","","0.0704","0.0711","","","","","","1.046","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215772","8.4241","0.00011","11.66815","0.00017","12.85431","0.00018","73.0547","0.0013","74.4505","0.0012","76.756","0.0012","1148.67","0.03","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","BMImLiTDI","","","- C20 H15 F6 Li N10 -","- C20 H15 F6 Li N10 -","- C40 H30 F12 Li2 N20 -","2","1","","Niedzicki, Leszek; Karpierz, Ewelina; Zawadzki, Maciej; Dranka, Maciej; Kasprzyk, Marta; Zalewska, Aldona; Marcinek, Marek; Zachara, Janusz; Domańska, Urszula; Wieczorek, Władysław","Lithium cation conducting TDI anion-based ionic liquids.","Physical chemistry chemical physics : PCCP","2014","16","23","11417","11425","10.1039/c3cp55354j","","x-ray","1.5418","CuKα","","0.0303","0.0298","","","0.0718","0.0721","","","","","","1.075","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215773","12.0355","0.0003","12.7527","0.0004","14.7677","0.001","102.838","0.007","90.637","0.006","96.021","0.007","2196.38","0.19","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","7-((E)-2-(8-butoxy-1,1,7,7-tetramethyl-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij] quinolin-9-yl)vinyl)-3-((E)-4-(dimethylamino)styryl)-5,5-difluoro-10- (4-iodophenyl)-1,9-dimethyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin- 4-ium-5-uide","","- C49 H56 B F2 I N4 O -","- C49 H56 B F2 I N4 O -","- C98 H112 B2 F4 I2 N8 O2 -","2","1","","Nano, Adela; Retailleau, Pascal; Hagon, Jerry P.; Harriman, Anthony; Ziessel, Raymond","A hybrid bis(amino-styryl) substituted Bodipy dye and its conjugate diacid: synthesis, structure, spectroscopy and quantum chemical calculations.","Physical chemistry chemical physics : PCCP","2014","16","21","10187","10198","10.1039/c3cp55021d","","","1.54187","CuKα","","0.1356","0.0779","","","0.1917","0.241","","","","","","1.025","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215774","11.669","0.002","15.533","0.003","15.769","0.003","103.638","0.004","101.205","0.004","107.161","0.005","2544.5","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H69 B I N2 O5 -","- C55 H69 B I N2 O5 -","- C110 H138 B2 I2 N4 O10 -","2","1","","Nano, Adela; Retailleau, Pascal; Hagon, Jerry P.; Harriman, Anthony; Ziessel, Raymond","A hybrid bis(amino-styryl) substituted Bodipy dye and its conjugate diacid: synthesis, structure, spectroscopy and quantum chemical calculations.","Physical chemistry chemical physics : PCCP","2014","16","21","10187","10198","10.1039/c3cp55021d","","","0.7107","MoKα","","0.1015","0.0803","","","0.2098","0.2364","","","","","","1.077","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215779","14.3171","0.0003","17.6113","0.0003","20.4106","0.0003","90","","90","","90","","5146.38","0.16","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H56 Ag4 I12 N8 -","- C20 H56 Ag4 I12 N8 -","- C80 H224 Ag16 I48 N32 -","4","0.5","","Yu, Tanlai; Shen, Junju; Fu, Yangbo; Fu, Yunlong","Solvent-cooperatively directed iodoargentate hybrids: Structures and optical properties","CrystEngComm","2014","16","24","5280","","10.1039/c3ce42579g","","","0.71073","MoKα","","0.0484","0.0361","","","0.0785","0.0852","","","","","","1.043","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215780","7.7685","0.0003","14.0322","0.0004","12.8393","0.0004","90","","94.638","0.003","90","","1395.02","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H32 Ag2 I6 N4 O2 -","- C10 H32 Ag2 I6 N4 O2 -","- C20 H64 Ag4 I12 N8 O4 -","2","0.5","","Yu, Tanlai; Shen, Junju; Fu, Yangbo; Fu, Yunlong","Solvent-cooperatively directed iodoargentate hybrids: Structures and optical properties","CrystEngComm","2014","16","24","5280","","10.1039/c3ce42579g","","","0.71073","MoKα","","0.0373","0.0292","","","0.0597","0.0638","","","","","","1.044","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215781","11.43","0.002","8.641","0.0017","14.858","0.003","90","","109.533","0.003","90","","1383","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H32 Ag2 I6 N4 O2 -","- C10 H28 Ag2 I6 N4 O2 -","- C20 H56 Ag4 I12 N8 O4 -","2","0.5","","Yu, Tanlai; Shen, Junju; Fu, Yangbo; Fu, Yunlong","Solvent-cooperatively directed iodoargentate hybrids: Structures and optical properties","CrystEngComm","2014","16","24","5280","","10.1039/c3ce42579g","","","0.71073","MoKα","","0.0384","0.0292","","","0.0778","0.1124","","","","","","1.222","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215782","13.5726","0.0005","25.6551","0.0011","7.9367","0.0003","90","","93.767","0.004","90","","2757.64","0.19","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H38 Ag10 I12 N2 O4 S4 -","- C13 H10 Ag10 I12 N2 O4 S4 -","- C26 H20 Ag20 I24 N4 O8 S8 -","2","0.5","","Yu, Tanlai; Shen, Junju; Fu, Yangbo; Fu, Yunlong","Solvent-cooperatively directed iodoargentate hybrids: Structures and optical properties","CrystEngComm","2014","16","24","5280","","10.1039/c3ce42579g","","","0.71073","MoKα","","0.0722","0.0516","","","0.1076","0.1185","","","","","","1.045","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215783","8.856","0.0008","9.3709","0.0009","12.7384","0.0012","90","","90","","90","","1057.14","0.17","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H13 Ag I2 N2 -","- C5 H10 Ag I2 N2 -","- C20 H40 Ag4 I8 N8 -","4","0.5","","Yu, Tanlai; Shen, Junju; Fu, Yangbo; Fu, Yunlong","Solvent-cooperatively directed iodoargentate hybrids: Structures and optical properties","CrystEngComm","2014","16","24","5280","","10.1039/c3ce42579g","","","0.71073","MoKα","","0.08","0.0798","","","0.1857","0.1859","","","","","","1.342","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215784","21.0624","0.0007","23.7188","0.0007","24.3861","0.0007","90","","90","","90","","12182.7","0.6","293","2","293","2","","","","","","","","7","I b c a","-I 2b 2c","73","","","","- C9 H26 Ag4 I6 N2 O2 S2 -","- C9 H14 Ag4 I6 N2 O2 S2 -","- C144 H224 Ag64 I96 N32 O32 S32 -","16","1","","Yu, Tanlai; Shen, Junju; Fu, Yangbo; Fu, Yunlong","Solvent-cooperatively directed iodoargentate hybrids: Structures and optical properties","CrystEngComm","2014","16","24","5280","","10.1039/c3ce42579g","","","0.71073","MoKα","","0.0702","0.0455","","","0.0939","0.1041","","","","","","1.07","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215785","10.5218","0.0005","8.1301","0.0004","16.0861","0.0007","90","","97.522","0.004","90","","1364.22","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H13 Ag2 I3 N2 -","- C5 H13 Ag2 I3 N2 -","- C20 H52 Ag8 I12 N8 -","4","1","","Yu, Tanlai; Shen, Junju; Fu, Yangbo; Fu, Yunlong","Solvent-cooperatively directed iodoargentate hybrids: Structures and optical properties","CrystEngComm","2014","16","24","5280","","10.1039/c3ce42579g","","","0.71073","MoKα","","0.0577","0.0391","","","0.0838","0.0967","","","","","","1.038","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215786","8.1241","0.0003","30.3843","0.001","15.6616","0.0005","90","","90","","90","","3866","0.2","110","2","110","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H23 La2 N5 O14 -","- C27 H23 La2 N5 O14 -","- C108 H92 La8 N20 O56 -","4","0.5","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.051","0.0434","","","0.1085","0.1113","","","","","","1.08","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215787","8.1162","0.0004","30.2842","0.0014","15.6709","0.0007","90","","90","","90","","3851.8","0.3","110","2","110","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H23 Ce2 N5 O14 -","- C27 H23 Ce2 N5 O14 -","- C108 H92 Ce8 N20 O56 -","4","0.5","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.0478","0.0401","","","0.1004","0.1028","","","","","","1.087","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215788","8.5085","0.0004","16.0156","0.0008","27.9393","0.0014","90","","90","","90","","3807.3","0.3","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 N5 O14 Tb2 -","- C27 H23 N5 O14 Tb2 -","- C108 H92 N20 O56 Tb8 -","4","1","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.0513","0.0418","","","0.1008","0.105","","","","","","1.06","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215789","14.2109","0.0005","17.6868","0.0006","14.211","0.0005","90","","118.306","0.002","90","","3144.8","0.2","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H14 Br4 Co2 N4 O9 -","- C24 H14 Br4 Co2 N4 O9 -","- C96 H56 Br16 Co8 N16 O36 -","4","1","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.0463","0.0373","","","0.1034","0.1068","","","","","","1.089","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215790","12.0504","0.0003","9.9837","0.0002","24.8139","0.0005","90","","101.298","0.001","90","","2927.45","0.11","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H6 Br2 Cd N2 O4 -","- C12 H6 Br2 Cd N2 O4 -","- C96 H48 Br16 Cd8 N16 O32 -","8","1","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.0275","0.0233","","","0.0457","0.0468","","","","","","1.084","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215791","13.2579","0.0005","11.438","0.0003","28.745","0.001","90","","99.887","0.002","90","","4294.3","0.2","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H30 Mn3 N6 O15 -","- C31 H30 Mn3 N6 O15 -","- C124 H120 Mn12 N24 O60 -","4","1","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.081","0.0668","","","0.1727","0.1797","","","","","","1.043","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215792","10.8285","0.0004","11.1933","0.0004","14.799","0.0006","90","","90","","90","","1793.74","0.12","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N3 O6 Zn -","- C15 H21 N3 O6 Zn -","- C60 H84 N12 O24 Zn4 -","4","1","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.032","0.0283","","","0.0639","0.0651","","","","","","1.042","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215793","9.2879","0.0003","11.9733","0.0003","16.3513","0.0005","90","","101.709","0.0016","90","","1780.54","0.09","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H21 Cd N3 O6 -","- C15 H21 Cd N3 O6 -","- C60 H84 Cd4 N12 O24 -","4","2","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.0398","0.0328","","","0.0653","0.0685","","","","","","1.061","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215794","8.0234","0.0001","30.2439","0.0005","15.328","0.0002","90","","90","","90","","3719.48","0.09","110","2","110","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H23 N5 O14 Sm2 -","- C27 H23 N5 O14 Sm2 -","- C108 H92 N20 O56 Sm8 -","4","0.5","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.034","0.0294","","","0.0758","0.0781","","","","","","1","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215795","8.127","0.0016","10.346","0.002","10.659","0.002","62.22","0.03","83.15","0.03","79.28","0.03","778.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H19 Cl N2 O7 -","- C11 H19 Cl N2 O7 -","- C22 H38 Cl2 N4 O14 -","2","1","","Luo, Yang-Hui; Wu, Dong-En; Song, Wen-Tao; Ge, Shu-Wang; Sun, Bai-Wang","Positions of amino groups on ammonium salts tunes the conformations of crown ethers: crystal structures, Hirshfeld surfaces and spectroscopic studies","CrystEngComm","2014","16","24","5319","","10.1039/c4ce00150h","","","0.71073","MoKα","","0.2074","0.1638","","","0.4369","0.4776","","","","","","1.861","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215796","11.802","0.002","15.408","0.003","13.991","0.003","90","","90.28","0.03","90","","2544.2","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H33 B F4.5 N O6 -","- C22 H33 B F4.5 N O6 -","- C88 H132 B4 F18 N4 O24 -","4","1","","Luo, Yang-Hui; Wu, Dong-En; Song, Wen-Tao; Ge, Shu-Wang; Sun, Bai-Wang","Positions of amino groups on ammonium salts tunes the conformations of crown ethers: crystal structures, Hirshfeld surfaces and spectroscopic studies","CrystEngComm","2014","16","24","5319","","10.1039/c4ce00150h","","","0.71073","MoKα","","0.1698","0.0992","","","0.286","0.3369","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215797","12.222","0.002","14.09","0.003","13.8","0.003","90","","98.09","0.03","90","","2352.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H30 Cl2 N2 O10 -","- C17 Cl2 N2 O10 -","- C68 Cl8 N8 O40 -","4","1","","Luo, Yang-Hui; Wu, Dong-En; Song, Wen-Tao; Ge, Shu-Wang; Sun, Bai-Wang","Positions of amino groups on ammonium salts tunes the conformations of crown ethers: crystal structures, Hirshfeld surfaces and spectroscopic studies","CrystEngComm","2014","16","24","5319","","10.1039/c4ce00150h","","","0.71073","MoKα","","0.2458","0.2083","","","0.5162","0.5438","","","","","","3.505","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7215798","8.6838","0.0017","14.33","0.003","9.2084","0.0018","90","","103.72","0.03","90","","1113.2","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H31 B F2 N O8 -","- C19 H31 B F2 N O8 -","- C38 H62 B2 F4 N2 O16 -","2","1","","Luo, Yang-Hui; Wu, Dong-En; Song, Wen-Tao; Ge, Shu-Wang; Sun, Bai-Wang","Positions of amino groups on ammonium salts tunes the conformations of crown ethers: crystal structures, Hirshfeld surfaces and spectroscopic studies","CrystEngComm","2014","16","24","5319","","10.1039/c4ce00150h","","","0.71073","MoKα","","0.0952","0.0537","","","0.1117","0.1283","","","","","","1.023","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215799","17.415","0.004","8.8817","0.0018","23.87","0.005","90","","97.56","0.03","90","","3660","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C H B F N O -","- C1.18033 B0.131148 F0.52459 N0.196721 O0.459016 -","- C72 B8 F32 N12 O28 -","61","15.25","","Luo, Yang-Hui; Wu, Dong-En; Song, Wen-Tao; Ge, Shu-Wang; Sun, Bai-Wang","Positions of amino groups on ammonium salts tunes the conformations of crown ethers: crystal structures, Hirshfeld surfaces and spectroscopic studies","CrystEngComm","2014","16","24","5319","","10.1039/c4ce00150h","","","0.71073","MoKα","","0.5173","0.4559","","","0.7919","0.8207","","","","","","3.32","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215800","8.763","0.0018","14.503","0.003","15.775","0.003","90","","98.41","0.03","90","","1983.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 B F4 N O5 -","- C16 H26 B F4 N O5 -","- C64 H104 B4 F16 N4 O20 -","4","1","","Luo, Yang-Hui; Wu, Dong-En; Song, Wen-Tao; Ge, Shu-Wang; Sun, Bai-Wang","Positions of amino groups on ammonium salts tunes the conformations of crown ethers: crystal structures, Hirshfeld surfaces and spectroscopic studies","CrystEngComm","2014","16","24","5319","","10.1039/c4ce00150h","","","0.71073","MoKα","","0.1713","0.1006","","","0.2804","0.3355","","","","","","1.08","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215801","15.6904","0.0006","21.8223","0.0008","15.8024","0.0006","90","","113.256","0.001","90","","4971.1","0.3","120","0.2","120.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H63 N3 O13 S2 -","- C50 H61 N3 O13 S2 -","- C200 H244 N12 O52 S8 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Churakov, Andrei V.; Lermontova, Elmira Kh.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Influence of the anion nature on styryl dye crystal packing and feasibility of the direct and back [2 + 2] photocycloaddition reactions without single crystal degradation","CrystEngComm","2014","16","24","5364","","10.1039/c4ce00266k","","","0.71073","MoKα","","0.2219","0.0752","","","0.151","0.1891","","","","","","0.865","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215802","7.3589","0.0003","20.83","0.0009","11.2706","0.0005","90","","91.727","0.003","90","","1726.84","0.13","120","0.2","123.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 B F4 N O2 -","- C17 H20 B F4 N O2 -","- C68 H80 B4 F16 N4 O8 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Churakov, Andrei V.; Lermontova, Elmira Kh.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Influence of the anion nature on styryl dye crystal packing and feasibility of the direct and back [2 + 2] photocycloaddition reactions without single crystal degradation","CrystEngComm","2014","16","24","5364","","10.1039/c4ce00266k","","","0.71073","MoKα","","0.1481","0.079","","","0.1786","0.2012","","","","","","1.043","","","","has coordinates,has disorder","301864","2025-08-22","15:14:34",""
"7215803","7.106","0.002","22.507","0.007","11.576","0.003","90","","90.143","0.008","90","","1851.4","0.9","120","0.2","120.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 F6 N O2 P -","- C17 H20 F6 N O2 P -","- C68 H80 F24 N4 O8 P4 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Churakov, Andrei V.; Lermontova, Elmira Kh.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Influence of the anion nature on styryl dye crystal packing and feasibility of the direct and back [2 + 2] photocycloaddition reactions without single crystal degradation","CrystEngComm","2014","16","24","5364","","10.1039/c4ce00266k","","","0.71073","MoKα","","0.1368","0.0632","","","0.1223","0.1431","","","","","","0.972","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215804","14.2243","0.001","14.419","0.0009","22.4404","0.0015","90","","104.933","0.004","90","","4447.1","0.5","100","0.2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 N4 O9 -","- C23 H22 N4 O9 -","- C184 H176 N32 O72 -","8","2","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Churakov, Andrei V.; Lermontova, Elmira Kh.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Influence of the anion nature on styryl dye crystal packing and feasibility of the direct and back [2 + 2] photocycloaddition reactions without single crystal degradation","CrystEngComm","2014","16","24","5364","","10.1039/c4ce00266k","","","1.54178","CuKα","","0.111","0.084","","","0.2049","0.2272","","","","","","1.046","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215805","11.737","0.001","26.623","0.002","8.2528","0.0007","90","","109.714","0.003","90","","2427.6","0.3","120","0.2","123.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N4 O9 -","- C26 H25 N4 O9 -","- C104 H100 N16 O36 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Churakov, Andrei V.; Lermontova, Elmira Kh.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Influence of the anion nature on styryl dye crystal packing and feasibility of the direct and back [2 + 2] photocycloaddition reactions without single crystal degradation","CrystEngComm","2014","16","24","5364","","10.1039/c4ce00266k","","","0.71073","MoKα","","0.1808","0.0808","","","0.1869","0.2235","","","","","","0.914","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215806","8.9861","0.0004","9.0343","0.0004","40.1047","0.0017","90","","90","","90","","3255.8","0.2","120","0.2","120.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H40 B N O2 -","- C41 H40 B N O2 -","- C164 H160 B4 N4 O8 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Churakov, Andrei V.; Lermontova, Elmira Kh.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Influence of the anion nature on styryl dye crystal packing and feasibility of the direct and back [2 + 2] photocycloaddition reactions without single crystal degradation","CrystEngComm","2014","16","24","5364","","10.1039/c4ce00266k","","","0.71073","MoKα","","0.1312","0.0732","","","0.113","0.1282","","","","","","0.962","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215807","7.3008","0.0003","20.8807","0.0006","11.3281","0.0004","90","","91.918","0.002","90","","1725.95","0.11","120","0.2","123.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 B F4 N O2 -","- C17 H20 B F4 N O2 -","- C68 H80 B4 F16 N4 O8 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Churakov, Andrei V.; Lermontova, Elmira Kh.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Influence of the anion nature on styryl dye crystal packing and feasibility of the direct and back [2 + 2] photocycloaddition reactions without single crystal degradation","CrystEngComm","2014","16","24","5364","","10.1039/c4ce00266k","","","0.71073","MoKα","","0.0996","0.0572","","","0.1336","0.1478","","","","","","1.045","","","","has coordinates,has disorder","301864","2025-08-22","15:14:34",""
"7215808","7.319","0.002","20.852","0.007","11.302","0.004","90","","91.835","0.005","90","","1724","1","170.2","0.2","170.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 B F4 N O2 -","- C17 H20 B F4 N O2 -","- C68 H80 B4 F16 N4 O8 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Churakov, Andrei V.; Lermontova, Elmira Kh.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Influence of the anion nature on styryl dye crystal packing and feasibility of the direct and back [2 + 2] photocycloaddition reactions without single crystal degradation","CrystEngComm","2014","16","24","5364","","10.1039/c4ce00266k","","","0.71073","MoKα","","0.083","0.0601","","","0.1668","0.1791","","","","","","1.093","","","","has coordinates,has disorder","301864","2025-08-22","15:14:34",""
"7215809","16.3042","0.0011","22.6007","0.0008","17.1913","0.0009","90","","115.29","0.007","90","","5727.6","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C90 H84 Co2 N30 O42 Si W12 -","- C90 H80 Co2 N30 O42 Si W12 -","- C180 H160 Co4 N60 O84 Si2 W24 -","2","0.5","","Luo, Yu-Hui; Yu, Xiao-Yang; Zhang, Hong","Two unprecedented entangled coordination polymers based on α-{SiW12O40}4−","CrystEngComm","2014","16","29","6664","","10.1039/c4ce00550c","","","0.71073","MoKα","","0.1189","0.0682","","","0.1111","0.1338","","","","","","1.078","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215810","12.6869","0.0007","22.7919","0.0014","28.5112","0.0019","90","","90","","90","","8244.3","0.9","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C54 H54 Cu2 N18 O43 Si W12 -","- C54 H50 Cu2 N18 O43 Si W12 -","- C216 H200 Cu8 N72 O172 Si4 W48 -","4","0.5","","Luo, Yu-Hui; Yu, Xiao-Yang; Zhang, Hong","Two unprecedented entangled coordination polymers based on α-{SiW12O40}4−","CrystEngComm","2014","16","29","6664","","10.1039/c4ce00550c","","","0.71073","MoKα","","0.0978","0.0834","","","0.1566","0.1636","","","","","","1.06","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215811","39.799","0.002","31.5266","0.0009","22.974","0.0011","90","","117.023","0.006","90","","25679","2","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C304 H496 Gd7 N80 Na7 O254 S32 -","- C304 H276 Gd7 N80 Na7 O254 S32 -","- C608 H552 Gd14 N160 Na14 O508 S64 -","2","0.25","","Ling, Irene; Skelton, Brian W.; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L.","Manipulating the conformation and interplay of p-sulfonated calix[4]arenes by lower rim tri-substitution with N′-cyanocarbamimidate groups","CrystEngComm","2014","16","23","5159","","10.1039/c4ce00336e","","","0.71073","MoKα","","0.2253","0.142","","","0.2837","0.3217","","","","","","1.178","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215812","12.936","0.003","12.022","0.002","14.578","0.003","90","","90","","90","","2267.1","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H10 Br N O3 -","- C11 H10 Br N O3 -","- C88 H80 Br8 N8 O24 -","8","1","","Zou, You-Quan; Guo, Wei; Liu, Feng-Lei; Lu, Liang-Qiu; Chen, Jia-Rong; Xiao, Wen-Jing","Visible-light-induced photocatalytic formyloxylation reactions of 3-bromooxindoles with water and DMF: the scope and mechanism","Green Chemistry","2014","16","8","3787","","10.1039/C4GC00647J","","","0.71073","MoKα","","0.0491","0.0346","","","0.1023","0.1224","","","","","","1.053","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215828","3.9459","0.0002","22.7301","0.0008","11.1951","0.0005","90","","107.725","0.004","90","","956.43","0.08","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C48 H40 N8 O4 -","4","1","","Näther, Christian; Jess, Inke; Bahrenburg, Julia; Bank, Dennis; Temps, Friedrich","Trimorphism of N-(3-pyridyl)-benzamide","CrystEngComm","2014","16","25","5633","","10.1039/c4ce00495g","","","0.71073","MoKα","","0.0514","0.0419","","","0.1043","0.1101","","","","","","1.048","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215829","4.0274","0.0003","22.705","0.0016","11.2415","0.0006","90","","107.874","0.007","90","","978.33","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-(3-Pyridyl)-Benzamide","","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C48 H40 N8 O4 -","4","1","","Näther, Christian; Jess, Inke; Bahrenburg, Julia; Bank, Dennis; Temps, Friedrich","Trimorphism of N-(3-pyridyl)-benzamide","CrystEngComm","2014","16","25","5633","","10.1039/c4ce00495g","","","0.71073","MoKα","","0.0666","0.0453","","","0.1059","0.1167","","","","","","1.031","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215830","5.2575","0.0006","22.8695","0.0016","7.9917","0.0009","90","","90.61","0.013","90","","960.84","0.17","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","N-(3-Pyridyl)-Benzamide","","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C48 H40 N8 O4 -","4","2","","Näther, Christian; Jess, Inke; Bahrenburg, Julia; Bank, Dennis; Temps, Friedrich","Trimorphism of N-(3-pyridyl)-benzamide","CrystEngComm","2014","16","25","5633","","10.1039/c4ce00495g","","","0.71073","MoKα","","0.0661","0.0585","","","0.1514","0.1591","","","","","","1.11","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215831","24.078","0.002","5.2381","0.0002","15.9279","0.0013","90","","109.382","0.009","90","","1895","0.3","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","N-(3-Pyridyl)-Benzamide","","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C96 H80 N16 O8 -","8","1","","Näther, Christian; Jess, Inke; Bahrenburg, Julia; Bank, Dennis; Temps, Friedrich","Trimorphism of N-(3-pyridyl)-benzamide","CrystEngComm","2014","16","25","5633","","10.1039/c4ce00495g","","","0.71073","MoKα","","0.0644","0.0465","","","0.1109","0.1214","","","","","","1.03","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215832","24.1282","0.0015","5.2571","0.0002","16.125","0.0011","90","","109.197","0.005","90","","1931.6","0.2","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","N-(3-Pyridyl)-Benzamide","","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C96 H80 N16 O8 -","8","1","","Näther, Christian; Jess, Inke; Bahrenburg, Julia; Bank, Dennis; Temps, Friedrich","Trimorphism of N-(3-pyridyl)-benzamide","CrystEngComm","2014","16","25","5633","","10.1039/c4ce00495g","","","0.71073","MoKα","","0.0738","0.0538","","","0.1043","0.1119","","","","","","1.11","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215833","15.026","0.009","15.473","0.009","15.512","0.009","108.495","0.005","117.49","","96.862","0.006","2879","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H42 Cl2 Cu3 Eu N4 O22 -","- C48 H42 Cl2 Cu3 Eu N4 O22 -","- C96 H84 Cl4 Cu6 Eu2 N8 O44 -","2","1","","Fang, Wei-Hui; Yang, Guo-Yu","Bilayer architecture based on hexanuclear heterometal cluster units","CrystEngComm","2014","16","29","6790","","10.1039/c4ce00747f","","","0.71073","MoKα","","0.1172","0.0882","","","0.2165","0.2465","","","","","","1.048","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215834","14.0612","0.0002","16.1146","0.0002","15.5087","0.0002","90","","103.837","0.002","90","","3412.15","0.08","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H16 In O8 -","- C28 H16 In O8 -","- C112 H64 In4 O32 -","4","1","","Qian, Jinjie; Jiang, Feilong; Su, Kongzhao; Li, Qipeng; Zhou, Kang; Wu, Mingyan; Yuan, Daqiang; Hong, Maochun","Sorption comparison of two indium‒organic framework isomers with syn‒anti configurations","CrystEngComm","2014","16","32","7434","","10.1039/C4CE00712C","","","1.54184","CuKα","","0.0382","0.036","","","0.1226","0.1251","","","","","","1.014","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215835","10.7454","0.0001","10.7454","0.0001","14.4927","0.0005","90","","90","","90","","1673.38","0.06","173","2","173","2","","","","","","","","4","P -4 2 c","P -4 2c","112","","","","- C7 H4 In0.25 O2 -","- C7 H4 In0.25 O2 -","- C56 H32 In2 O16 -","8","1","","Qian, Jinjie; Jiang, Feilong; Su, Kongzhao; Li, Qipeng; Zhou, Kang; Wu, Mingyan; Yuan, Daqiang; Hong, Maochun","Sorption comparison of two indium‒organic framework isomers with syn‒anti configurations","CrystEngComm","2014","16","32","7434","","10.1039/C4CE00712C","","","1.54184","CuKα","","0.0577","0.0511","","","0.1688","0.1815","","","","","","1.118","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215836","7.958","0.0016","9.157","0.0018","10.069","0.002","76.71","0.03","84.84","0.03","67.98","0.03","662","0.3","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H20 Ag2 F6 N4 O6 S2 -","- C22 H20 Ag2 F6 N4 O6 S2 -","- C22 H20 Ag2 F6 N4 O6 S2 -","1","0.5","","Beeching, Lianna J.; Hawes, Chris S.; Turner, David R.; Batten, Stuart R.","The influence of anion, ligand geometry and stoichiometry on the structure and dimensionality of a series of AgI-bis(cyanobenzyl)piperazine coordination polymers","CrystEngComm","2014","16","28","6459","","10.1039/c4ce00816b","","","0.7108","synchrotron","","0.0211","0.0208","","","0.0494","0.0496","","","","","","1.186","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215837","25.839","0.006","11.48","0.003","24.597","0.008","90","","113.623","0.013","90","","6685","3","123","2","123.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C53 H58 Ag4 F12 N8 O15 S4 -","- C53 H58 Ag4 F12 N8 O15 S4 -","- C212 H232 Ag16 F48 N32 O60 S16 -","4","0.5","","Beeching, Lianna J.; Hawes, Chris S.; Turner, David R.; Batten, Stuart R.","The influence of anion, ligand geometry and stoichiometry on the structure and dimensionality of a series of AgI-bis(cyanobenzyl)piperazine coordination polymers","CrystEngComm","2014","16","28","6459","","10.1039/c4ce00816b","","","0.71073","MoKα","","0.1189","0.0589","","","0.1224","0.1506","","","","","","0.984","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215838","8.2084","0.0004","10.3939","0.0004","12.6354","0.0006","71.597","0.002","77.611","0.003","86.597","0.002","999.03","0.08","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H22 Ag F6 N2 O2 P -","- C16 H22 Ag F6 N2 O2 P -","- C32 H44 Ag2 F12 N4 O4 P2 -","2","1","","Beeching, Lianna J.; Hawes, Chris S.; Turner, David R.; Batten, Stuart R.","The influence of anion, ligand geometry and stoichiometry on the structure and dimensionality of a series of AgI-bis(cyanobenzyl)piperazine coordination polymers","CrystEngComm","2014","16","28","6459","","10.1039/c4ce00816b","","","0.71073","MoKα","","0.0604","0.0397","","","0.0679","0.0755","","","","","","1.034","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215839","8.289","0.0017","9.838","0.002","11.203","0.002","102.51","0.03","102.92","0.03","93.06","0.03","864.3","0.3","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H32 Ag2 F6 N4 O8 S2 -","- C28 H32 Ag2 F6 N4 O8 S2 -","- C28 H32 Ag2 F6 N4 O8 S2 -","1","0.5","","Beeching, Lianna J.; Hawes, Chris S.; Turner, David R.; Batten, Stuart R.","The influence of anion, ligand geometry and stoichiometry on the structure and dimensionality of a series of AgI-bis(cyanobenzyl)piperazine coordination polymers","CrystEngComm","2014","16","28","6459","","10.1039/c4ce00816b","","","0.7108","Synchrotron","","0.0385","0.0352","","","0.0895","0.0916","","","","","","1.051","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215840","13.631","0.0008","16.7804","0.0008","10.9261","0.0006","90","","115.623","0.002","90","","2253.4","0.2","123","2","123","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C21 H20 Ag F3 N4 O3 S -","- C21 H20 Ag F3 N4 O3 S -","- C84 H80 Ag4 F12 N16 O12 S4 -","4","1","","Beeching, Lianna J.; Hawes, Chris S.; Turner, David R.; Batten, Stuart R.","The influence of anion, ligand geometry and stoichiometry on the structure and dimensionality of a series of AgI-bis(cyanobenzyl)piperazine coordination polymers","CrystEngComm","2014","16","28","6459","","10.1039/c4ce00816b","","","0.71073","MoKα","","0.0468","0.0396","","","0.0833","0.0875","","","","","","1.023","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215841","6.5627","0.0005","8.2007","0.0007","8.5966","0.0007","83.164","0.004","71.318","0.003","71.589","0.003","415.77","0.06","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H20 N4 -","- C20 H20 N4 -","- C20 H20 N4 -","1","0.5","","Beeching, Lianna J.; Hawes, Chris S.; Turner, David R.; Batten, Stuart R.","The influence of anion, ligand geometry and stoichiometry on the structure and dimensionality of a series of AgI-bis(cyanobenzyl)piperazine coordination polymers","CrystEngComm","2014","16","28","6459","","10.1039/c4ce00816b","","","0.71073","MoKα","","0.0704","0.0517","","","0.1247","0.1372","","","","","","1.109","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215842","6.1328","0.0005","7.1872","0.0006","10.0545","0.0009","78.816","0.005","74.898","0.005","79.084","0.006","415.21","0.06","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H20 N4 -","- C20 H20 N4 -","- C20 H20 N4 -","1","0.5","","Beeching, Lianna J.; Hawes, Chris S.; Turner, David R.; Batten, Stuart R.","The influence of anion, ligand geometry and stoichiometry on the structure and dimensionality of a series of AgI-bis(cyanobenzyl)piperazine coordination polymers","CrystEngComm","2014","16","28","6459","","10.1039/c4ce00816b","","","0.71073","MoKα","","0.0741","0.05","","","0.1049","0.1158","","","","","","1.07","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215843","38.973","0.008","11.992","0.002","17.704","0.004","90","","105.94","0.03","90","","7956","3","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H32 Cu2 I2 N2 P2 -","- C42 H32 Cu2 I2 N2 P2 -","- C336 H256 Cu16 I16 N16 P16 -","8","1","","Wei, Feng; Liu, Xiaochen; Liu, Zhiwei; Bian, Zuqiang; Zhao, Yongliang; Huang, Chunhui","Structural and photophysical study of copper iodide complex with P^N or P^N^P ligand","CrystEngComm","2014","16","24","5338","","10.1039/c4ce00315b","","","0.71073","MoKα","","0.0382","0.0336","","","0.0743","0.0761","","","","","","1.358","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215844","10.1854","0.0012","13.224","0.003","28.904","0.006","90","","90","","90","","3893.1","1.3","148","2","148","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H36 Cu3 I3 N2 P2 -","- C38 H36 Cu3 I3 N2 P2 -","- C152 H144 Cu12 I12 N8 P8 -","4","1","","Wei, Feng; Liu, Xiaochen; Liu, Zhiwei; Bian, Zuqiang; Zhao, Yongliang; Huang, Chunhui","Structural and photophysical study of copper iodide complex with P^N or P^N^P ligand","CrystEngComm","2014","16","24","5338","","10.1039/c4ce00315b","","","0.71073","MoKα","","0.0431","0.0356","","","0.0632","0.0656","","","","","","1.238","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215845","15.983","0.003","11.391","0.002","16.357","0.003","90","","108.82","0.03","90","","2818.8","1","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H27 Cu I N P2 -","- C31 H27 Cu I N P2 -","- C124 H108 Cu4 I4 N4 P8 -","4","1","","Wei, Feng; Liu, Xiaochen; Liu, Zhiwei; Bian, Zuqiang; Zhao, Yongliang; Huang, Chunhui","Structural and photophysical study of copper iodide complex with P^N or P^N^P ligand","CrystEngComm","2014","16","24","5338","","10.1039/c4ce00315b","","","0.71073","MoKα","","0.0543","0.0357","","","0.045","0.0475","","","","","","1.377","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215846","23.986","0.005","13.948","0.003","21.765","0.004","90","","109.18","0.03","90","","6877","3","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H43 Cu2 I2 N P2 -","- C23 H43 Cu2 I2 N P2 -","- C184 H344 Cu16 I16 N8 P16 -","8","1","","Wei, Feng; Liu, Xiaochen; Liu, Zhiwei; Bian, Zuqiang; Zhao, Yongliang; Huang, Chunhui","Structural and photophysical study of copper iodide complex with P^N or P^N^P ligand","CrystEngComm","2014","16","24","5338","","10.1039/c4ce00315b","","","0.71073","MoKα","","0.0501","0.0377","","","0.0605","0.0618","","","","","","1.692","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215847","15.3727","0.0011","16.4442","0.0012","14.2397","0.0011","90","","122.25","0.001","90","","3044.3","0.4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H43 Cu3 I3 N P2 -","- C23 H43 Cu3 I3 N P2 -","- C92 H172 Cu12 I12 N4 P8 -","4","0.5","","Wei, Feng; Liu, Xiaochen; Liu, Zhiwei; Bian, Zuqiang; Zhao, Yongliang; Huang, Chunhui","Structural and photophysical study of copper iodide complex with P^N or P^N^P ligand","CrystEngComm","2014","16","24","5338","","10.1039/c4ce00315b","","","0.71073","MoKα","","0.0339","0.0295","","","0.0641","0.0664","","","","","","1.248","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215848","9.1258","0.0003","11.138","0.0004","11.3262","0.0004","77.317","0.003","68.681","0.004","79.25","0.003","1039.05","0.07","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H23 La N O9 S3 -","- C12 H19 La N O9 S3 -","- C24 H38 La2 N2 O18 S6 -","2","1","","Zhuang, Gui-lin; Tan, Li; Chen, Wu-lin; Bai, Jia-qi; Zhong, Xing; Wang, Jian-guo","Synthesis, properties, and magnetism‒structure relationship of lanthanide-based metal‒organic frameworks with (ethylenedithio)acetic acid","CrystEngComm","2014","16","30","6963","","10.1039/C4CE00573B","","","0.71073","MoKα","","0.0279","0.0262","","","0.0721","0.0738","","","","","","1.015","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215849","9.14","0.0005","11.1538","0.0003","11.2716","0.0006","77.261","0.003","68.453","0.005","78.843","0.003","1034.43","0.09","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H23 N Nd O9 S3 -","- C12 H19 N Nd O9 S3 -","- C24 H38 N2 Nd2 O18 S6 -","2","1","","Zhuang, Gui-lin; Tan, Li; Chen, Wu-lin; Bai, Jia-qi; Zhong, Xing; Wang, Jian-guo","Synthesis, properties, and magnetism‒structure relationship of lanthanide-based metal‒organic frameworks with (ethylenedithio)acetic acid","CrystEngComm","2014","16","30","6963","","10.1039/C4CE00573B","","","0.71073","MoKα","","0.0307","0.0269","","","0.0706","0.0728","","","","","","1.108","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215850","9.1686","0.0005","11.1145","0.0007","11.1899","0.0008","77.156","0.006","68.195","0.006","78.35","0.005","1023.21","0.12","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H23 Eu N O9 S3 -","- C12 H19 Eu N O9 S3 -","- C24 H38 Eu2 N2 O18 S6 -","2","1","","Zhuang, Gui-lin; Tan, Li; Chen, Wu-lin; Bai, Jia-qi; Zhong, Xing; Wang, Jian-guo","Synthesis, properties, and magnetism‒structure relationship of lanthanide-based metal‒organic frameworks with (ethylenedithio)acetic acid","CrystEngComm","2014","16","30","6963","","10.1039/C4CE00573B","","","0.71073","MoKα","","0.056","0.041","","","0.0825","0.0884","","","","","","1.054","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215851","9.1742","0.0005","11.1153","0.0005","11.1714","0.0005","77.009","0.004","68.082","0.005","78.222","0.004","1020.66","0.09","288","2","288","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H23 Gd N O9 S3 -","- C12 H23 Gd N O9 S3 -","- C24 H46 Gd2 N2 O18 S6 -","2","1","","Zhuang, Gui-lin; Tan, Li; Chen, Wu-lin; Bai, Jia-qi; Zhong, Xing; Wang, Jian-guo","Synthesis, properties, and magnetism‒structure relationship of lanthanide-based metal‒organic frameworks with (ethylenedithio)acetic acid","CrystEngComm","2014","16","30","6963","","10.1039/C4CE00573B","","","0.71073","MoKα","","0.0319","0.0288","","","0.0767","0.0793","","","","","","1.03","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215852","8.2735","0.0004","8.6746","0.0005","13.565","0.0007","103.465","0.005","95.601","0.004","117.312","0.005","817.36","0.09","301","2","301","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H18 La O9 S3 -","- C9 H18 La O9 S3 -","- C18 H36 La2 O18 S6 -","2","1","","Zhuang, Gui-lin; Tan, Li; Chen, Wu-lin; Bai, Jia-qi; Zhong, Xing; Wang, Jian-guo","Synthesis, properties, and magnetism‒structure relationship of lanthanide-based metal‒organic frameworks with (ethylenedithio)acetic acid","CrystEngComm","2014","16","30","6963","","10.1039/C4CE00573B","","","0.71073","MoKα","","0.0342","0.0309","","","0.0676","0.0706","","","","","","0.972","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215853","5.496","0.0009","12.831","0.002","17.881","0.003","90","","93.872","0.003","90","","1258.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 N O4 -","- C12 H18 N O4 -","- C48 H72 N4 O16 -","4","1","","Wang, Lei; Xue, Ruiyu; Li, Yuanxin; Zhao, Yiran; Liu, Faqian; Huang, Keke","Hydrogen-bonding patterns in a series of multi-component molecular solids formed by 2,3,5,6-tetramethylpyrazine with selected carboxylic acids","CrystEngComm","2014","16","30","7074","","10.1039/C4CE00749B","","","0.71073","MoKα","","0.0991","0.0791","","","0.223","0.2435","","","","","","1.083","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215854","9.6944","0.0004","17.9372","0.0007","18.6161","0.0006","90","","91.427","0.003","90","","3236.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N2 O8 -","- C22 H24 N2 O8 -","- C132 H144 N12 O48 -","6","1.5","","Wang, Lei; Xue, Ruiyu; Li, Yuanxin; Zhao, Yiran; Liu, Faqian; Huang, Keke","Hydrogen-bonding patterns in a series of multi-component molecular solids formed by 2,3,5,6-tetramethylpyrazine with selected carboxylic acids","CrystEngComm","2014","16","30","7074","","10.1039/C4CE00749B","","","0.71073","MoKα","","0.1007","0.0781","","","0.225","0.254","","","","","","1.069","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215855","7.3345","0.0007","10.9381","0.0011","15.0352","0.0015","90","","92.804","0.002","90","","1204.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N2 O5 -","- C11 H13 N2 O5 -","- C44 H52 N8 O20 -","4","1","","Wang, Lei; Xue, Ruiyu; Li, Yuanxin; Zhao, Yiran; Liu, Faqian; Huang, Keke","Hydrogen-bonding patterns in a series of multi-component molecular solids formed by 2,3,5,6-tetramethylpyrazine with selected carboxylic acids","CrystEngComm","2014","16","30","7074","","10.1039/C4CE00749B","","","0.71073","MoKα","","0.0712","0.0597","","","0.1634","0.1768","","","","","","1.042","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215856","14.65","0.007","12.512","0.006","14.649","0.007","90","","93.13","","90","","2681","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N2 O6 -","- C30 H28 N2 O6 -","- C120 H112 N8 O24 -","4","1","","Wang, Lei; Xue, Ruiyu; Li, Yuanxin; Zhao, Yiran; Liu, Faqian; Huang, Keke","Hydrogen-bonding patterns in a series of multi-component molecular solids formed by 2,3,5,6-tetramethylpyrazine with selected carboxylic acids","CrystEngComm","2014","16","30","7074","","10.1039/C4CE00749B","","","0.71073","MoKα","","0.0929","0.0573","","","0.1806","0.2065","","","","","","1.091","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215857","7.8574","0.0013","8.3711","0.0011","11.1437","0.0013","88.282","0.002","72.163","0.001","84.647","0.002","694.7","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H13 N2 O7 -","- C12 H13 N2 O7 -","- C24 H26 N4 O14 -","2","1","","Wang, Lei; Xue, Ruiyu; Li, Yuanxin; Zhao, Yiran; Liu, Faqian; Huang, Keke","Hydrogen-bonding patterns in a series of multi-component molecular solids formed by 2,3,5,6-tetramethylpyrazine with selected carboxylic acids","CrystEngComm","2014","16","30","7074","","10.1039/C4CE00749B","","","0.71073","MoKα","","0.0692","0.0612","","","0.1773","0.1872","","","","","","1.071","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215858","7.5343","0.0014","8.9454","0.0017","12.885","0.003","99.769","0.004","103.689","0.004","108.465","0.003","771.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C32 H36 N4 O8 -","2","1","","Wang, Lei; Xue, Ruiyu; Li, Yuanxin; Zhao, Yiran; Liu, Faqian; Huang, Keke","Hydrogen-bonding patterns in a series of multi-component molecular solids formed by 2,3,5,6-tetramethylpyrazine with selected carboxylic acids","CrystEngComm","2014","16","30","7074","","10.1039/C4CE00749B","","","0.71073","MoKα","","0.0967","0.0873","","","0.2292","0.2474","","","","","","1.053","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215859","7.4101","0.0006","10.2133","0.0009","15.0232","0.0016","90","","95.937","0.009","90","","1130.88","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N O4 -","- C12 H12 N O4 -","- C48 H48 N4 O16 -","4","1","","Wang, Lei; Xue, Ruiyu; Li, Yuanxin; Zhao, Yiran; Liu, Faqian; Huang, Keke","Hydrogen-bonding patterns in a series of multi-component molecular solids formed by 2,3,5,6-tetramethylpyrazine with selected carboxylic acids","CrystEngComm","2014","16","30","7074","","10.1039/C4CE00749B","","","0.71073","MoKα","","0.0641","0.0527","","","0.1532","0.1611","","","","","","1.047","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215860","9.3995","0.0012","17.904","0.002","11.3775","0.0013","90","","93.243","0.002","90","","1911.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 N3 O3 -","- C19 H24 N3 O3 -","- C76 H96 N12 O12 -","4","1","","Wang, Lei; Xue, Ruiyu; Li, Yuanxin; Zhao, Yiran; Liu, Faqian; Huang, Keke","Hydrogen-bonding patterns in a series of multi-component molecular solids formed by 2,3,5,6-tetramethylpyrazine with selected carboxylic acids","CrystEngComm","2014","16","30","7074","","10.1039/C4CE00749B","","","0.71073","MoKα","","0.1075","0.0712","","","0.1963","0.2241","","","","","","0.996","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215861","8.4229","0.0005","11.1372","0.0006","17.7581","0.0011","79.11","0.003","79.382","0.004","84.189","0.003","1604.02","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C65.4 H56.8 Cl4 N12 O3 Zn2 -","- C65.4 H53.6 Cl4 N12 O3 Zn2 -","- C65.4 H53.6 Cl4 N12 O3 Zn2 -","1","0.5","","Bray, David J.; Clegg, Jack. K.; Jolliffe, Katrina A.; Lindoy, Leonard F.","Cobalt(ii), iron(ii), zinc(ii) and palladium(ii) complexes of di-topic 4′-{4-[bis(2-pyridyl)aminomethyl]phenyl}-2,2′:6′,2′′-terpyridine. Synthetic and X-ray structural studies","CrystEngComm","2014","16","28","6476","","10.1039/c4ce00414k","","","0.71073","MoKα","","0.1128","0.0583","","","0.1542","0.1841","","","","","","1.02","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7215862","8.265","0.001","11.174","0.001","16.397","0.002","91.485","0.005","91.295","0.005","94.105","0.005","1509.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C32.25 H25.5 Cl2.5 Co N6 O0.5 -","- C32.25 H24.5 Cl2.5 Co N6 O0.5 -","- C64.5 H49 Cl5 Co2 N12 O -","2","1","","Bray, David J.; Clegg, Jack. K.; Jolliffe, Katrina A.; Lindoy, Leonard F.","Cobalt(ii), iron(ii), zinc(ii) and palladium(ii) complexes of di-topic 4′-{4-[bis(2-pyridyl)aminomethyl]phenyl}-2,2′:6′,2′′-terpyridine. Synthetic and X-ray structural studies","CrystEngComm","2014","16","28","6476","","10.1039/c4ce00414k","","","0.71073","MoKα","","0.0565","0.0377","","","0.0949","0.1063","","","","","","1.055","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"7215863","13.7825","0.0009","14.8655","0.001","18.2258","0.0011","70.21","0.002","79.959","0.003","64.388","0.003","3166.7","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 N6 O4 Zn -","- C36 H30 N6 O4 Zn -","- C144 H120 N24 O16 Zn4 -","4","2","","Bray, David J.; Clegg, Jack. K.; Jolliffe, Katrina A.; Lindoy, Leonard F.","Cobalt(ii), iron(ii), zinc(ii) and palladium(ii) complexes of di-topic 4′-{4-[bis(2-pyridyl)aminomethyl]phenyl}-2,2′:6′,2′′-terpyridine. Synthetic and X-ray structural studies","CrystEngComm","2014","16","28","6476","","10.1039/c4ce00414k","","","0.71073","MoKα","","0.0725","0.0437","","","0.1052","0.1179","","","","","","1.03","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215864","13.964","0.002","14.768","0.002","31.254","0.004","90","","102.32","0.009","90","","6296.8","1.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H53 F12 Fe N12 O2.5 P2 -","- C64 H48 F12 Fe N12 O2.5 P2 -","- C256 H192 F48 Fe4 N48 O10 P8 -","4","1","","Bray, David J.; Clegg, Jack. K.; Jolliffe, Katrina A.; Lindoy, Leonard F.","Cobalt(ii), iron(ii), zinc(ii) and palladium(ii) complexes of di-topic 4′-{4-[bis(2-pyridyl)aminomethyl]phenyl}-2,2′:6′,2′′-terpyridine. Synthetic and X-ray structural studies","CrystEngComm","2014","16","28","6476","","10.1039/c4ce00414k","","","0.71073","MoKα","","0.1074","0.0571","","","0.1345","0.1599","","","","","","1.035","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"7215865","9.1075","0.001","33.618","0.004","11.0207","0.0012","90","","107.945","0.002","90","","3210.1","0.6","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C65.5 H57 Cl2.5 F3 Fe N12 O12.5 P0.5 -","- C65.5 H55 Cl2.5 F3 Fe N12 O12.5 P0.5 -","- C131 H110 Cl5 F6 Fe2 N24 O25 P -","2","1","","Bray, David J.; Clegg, Jack. K.; Jolliffe, Katrina A.; Lindoy, Leonard F.","Cobalt(ii), iron(ii), zinc(ii) and palladium(ii) complexes of di-topic 4′-{4-[bis(2-pyridyl)aminomethyl]phenyl}-2,2′:6′,2′′-terpyridine. Synthetic and X-ray structural studies","CrystEngComm","2014","16","28","6476","","10.1039/c4ce00414k","","","0.71073","MoKα","","0.1352","0.0823","","","0.2049","0.2357","","","","","","1.004","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215866","12.4067","0.0009","12.7587","0.001","12.7752","0.001","119.538","0.001","118.76","0.0009","90.313","0.001","1462.2","0.2","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C52 H52 Cd F12 N20 O4 P2 -","- C52 H52 Cd F12 N20 O4 P2 -","- C52 H52 Cd F12 N20 O4 P2 -","1","1","","Khanna, Shruti; Verma, Sandeep","Crystal engineering with a purine rare tautomer: structures and luminescence properties","CrystEngComm","2014","16","29","6680","","10.1039/c4ce00611a","","","0.71073","MoKα","","0.0833","0.0604","","","0.1291","0.1893","","","","","","1.166","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215867","10.1946","0.0014","11.962","0.0017","12.8764","0.0018","91.286","0.002","90.548","0.002","109.725","0.003","1477.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13.5 H16 Cd0.25 N5.5 O3.5 -","- C13.5 H16 Cd0.25 N5.5 O3.5 -","- C54 H64 Cd N22 O14 -","4","2","","Khanna, Shruti; Verma, Sandeep","Crystal engineering with a purine rare tautomer: structures and luminescence properties","CrystEngComm","2014","16","29","6680","","10.1039/c4ce00611a","","","0.71073","MoKα","","0.072","0.0484","","","0.1039","0.1652","","","","","","1.107","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215868","10.1883","0.0006","10.9694","0.0007","15.1248","0.0009","70.455","0.001","75.248","0.001","89.571","0.001","1534.82","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Cd0.5 Cl1.5 N5 O2.5 -","- C13 H13 Cd0.5 Cl1.5 N5 O2.5 -","- C52 H52 Cd2 Cl6 N20 O10 -","4","2","","Khanna, Shruti; Verma, Sandeep","Crystal engineering with a purine rare tautomer: structures and luminescence properties","CrystEngComm","2014","16","29","6680","","10.1039/c4ce00611a","","","0.71073","MoKα","","0.0675","0.057","","","0.1575","0.1727","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215869","9.8188","0.0012","11.2793","0.0013","16.186","0.002","109.391","0.003","92.323","0.002","97.053","0.002","1671.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H38 Cd N10 O8 -","- C31 H38 Cd N10 O8 -","- C62 H76 Cd2 N20 O16 -","2","1","","Khanna, Shruti; Verma, Sandeep","Crystal engineering with a purine rare tautomer: structures and luminescence properties","CrystEngComm","2014","16","29","6680","","10.1039/c4ce00611a","","","0.71073","MoKα","","0.0478","0.0394","","","0.096","0.1288","","","","","","1.188","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215870","11.7717","0.0003","18.0229","0.0004","13.5418","0.0005","90","","105.695","0.003","90","","2765.91","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Cd N4 S4 -","- C28 H26 Cd N4 S4 -","- C112 H104 Cd4 N16 S16 -","4","1","","Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Manar, Krishna K.; Drew, Michael. G. B.; Singh, Nanhai","Influence of ligand environments on the structures and luminescence properties of homoleptic cadmium(ii) pyridyl functionalized dithiocarbamates","CrystEngComm","2014","16","29","6765","","10.1039/c4ce00510d","","","0.71073","MoKα","","0.0743","0.0454","","","0.0949","0.105","","","","","","1.026","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215871","11.41","0.003","18.178","0.003","13.445","0.002","90","","106.57","0.02","90","","2672.8","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Cd N6 S4 -","- C26 H24 Cd N6 S4 -","- C104 H96 Cd4 N24 S16 -","4","1","","Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Manar, Krishna K.; Drew, Michael. G. B.; Singh, Nanhai","Influence of ligand environments on the structures and luminescence properties of homoleptic cadmium(ii) pyridyl functionalized dithiocarbamates","CrystEngComm","2014","16","29","6765","","10.1039/c4ce00510d","","","0.71073","MoKα","","0.0647","0.0404","","","0.0779","0.0859","","","","","","1.017","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215872","10.565","0.0005","9.85","0.0005","25.1585","0.0018","90","","90","","90","","2618.1","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H22 Cd N4 O2 S4 -","- C24 H22 Cd N4 O2 S4 -","- C96 H88 Cd4 N16 O8 S16 -","4","0.5","","Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Manar, Krishna K.; Drew, Michael. G. B.; Singh, Nanhai","Influence of ligand environments on the structures and luminescence properties of homoleptic cadmium(ii) pyridyl functionalized dithiocarbamates","CrystEngComm","2014","16","29","6765","","10.1039/c4ce00510d","","","0.71073","MoKα","","0.0632","0.041","","","0.0817","0.0899","","","","","","1.077","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215873","11.4651","0.0009","12.8858","0.001","18.191","0.0011","90","","90","","90","","2687.5","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H22 Cd N4 S6 -","- C24 H22 Cd N4 S6 -","- C96 H88 Cd4 N16 S24 -","4","0.5","","Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Manar, Krishna K.; Drew, Michael. G. B.; Singh, Nanhai","Influence of ligand environments on the structures and luminescence properties of homoleptic cadmium(ii) pyridyl functionalized dithiocarbamates","CrystEngComm","2014","16","29","6765","","10.1039/c4ce00510d","","","0.71073","MoKα","","0.0448","0.0346","","","0.0823","0.0868","","","","","","1.097","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215874","12.3203","0.0018","12.758","0.002","13.4692","0.0019","109.13","0.016","96.998","0.012","107.782","0.015","1845.8","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H70 Cd2 N14 O2 S8 -","- C70 H70 Cd2 N14 O2 S8 -","- C70 H70 Cd2 N14 O2 S8 -","1","0.5","","Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Manar, Krishna K.; Drew, Michael. G. B.; Singh, Nanhai","Influence of ligand environments on the structures and luminescence properties of homoleptic cadmium(ii) pyridyl functionalized dithiocarbamates","CrystEngComm","2014","16","29","6765","","10.1039/c4ce00510d","","","0.71073","MoKα","","0.1033","0.0576","","","0.1452","0.1672","","","","","","0.998","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215875","12.2619","0.001","14.0531","0.0016","14.1351","0.0012","111.871","0.009","101.167","0.007","97.391","0.008","2163","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H84 Cd3 N6 O6 S12 -","- C84 H84 Cd3 N6 O6 S12 -","- C84 H84 Cd3 N6 O6 S12 -","1","0.5","","Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Manar, Krishna K.; Drew, Michael. G. B.; Singh, Nanhai","Influence of ligand environments on the structures and luminescence properties of homoleptic cadmium(ii) pyridyl functionalized dithiocarbamates","CrystEngComm","2014","16","29","6765","","10.1039/c4ce00510d","","","0.71073","MoKα","","0.1264","0.0621","","","0.1534","0.1869","","","","","","0.954","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215880","5.5482","0.0002","12.026","0.0005","8.5725","0.0003","90","","104.639","0.0024","90","","553.41","0.04","298","2","298","2","","","","","","","Polymorph Screening","5","P 1 21 1","P 2yb","4","zalcitabine hydrochloride","2',3'-dideoxycytidine hydrochloride","","- C9 H14 Cl N3 O3 -","- C9 H14 Cl N3 O3 -","- C18 H28 Cl2 N6 O6 -","2","1","","Martins, Felipe Terra; Corrêa, Rodrigo S.; Batista, Alzir Azevedo; Ellena, Javier","Quasi-enantiomeric single-nucleoside and quasi-racemic two-nucleoside hydrochloride salts and ruthenium complexes of cytidine and 2′,3′-dideoxycytidine analogs unveiling the negligible structure-driving role of the 2′,3′-moieties","CrystEngComm","2014","16","30","7013","","10.1039/C4CE00678J","","x-ray","0.71073","MoKα","","0.044","0.0407","","","0.1048","0.1083","","","","","","1.074","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215881","5.4672","0.002","11.978","0.0029","8.5397","0.002","90","","105.327","0.0018","90","","539.3","0.3","100","2","100","2","","","","","","","Polymorph Screening","5","P 1 21 1","P 2yb","4","zalcitabine hydrochloride","2',3'-dideoxycytidine hydrochloride","","- C9 H14 Cl N3 O3 -","- C9 H14 Cl N3 O3 -","- C18 H28 Cl2 N6 O6 -","2","1","","Martins, Felipe Terra; Corrêa, Rodrigo S.; Batista, Alzir Azevedo; Ellena, Javier","Quasi-enantiomeric single-nucleoside and quasi-racemic two-nucleoside hydrochloride salts and ruthenium complexes of cytidine and 2′,3′-dideoxycytidine analogs unveiling the negligible structure-driving role of the 2′,3′-moieties","CrystEngComm","2014","16","30","7013","","10.1039/C4CE00678J","","x-ray","0.71073","MoKα","","0.0413","0.0403","","","0.1035","0.1053","","","","","","1.068","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215882","6.692","0.001","8.886","0.001","10.412","0.001","105.22","0.01","99.04","0.01","107.5","0.01","550.72","0.13","100","2","100","2","","","","","","","Polymorph Screening","6","P 1","P 1","1","lamivudine zalcitabine hydrochloride","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one hydrochloride 2',3'-dideoxycytidine hydrochloride co-crystal","","- C17 H26 Cl2 N6 O6 S -","- C17 H26 Cl2 N6 O6 S -","- C17 H26 Cl2 N6 O6 S -","1","1","","Martins, Felipe Terra; Corrêa, Rodrigo S.; Batista, Alzir Azevedo; Ellena, Javier","Quasi-enantiomeric single-nucleoside and quasi-racemic two-nucleoside hydrochloride salts and ruthenium complexes of cytidine and 2′,3′-dideoxycytidine analogs unveiling the negligible structure-driving role of the 2′,3′-moieties","CrystEngComm","2014","16","30","7013","","10.1039/C4CE00678J","","x-ray","0.71073","MoKα","","0.0792","0.0656","","","0.1453","0.1558","","","","","","1.099","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215883","9.8","0.005","16.008","0.005","34.268","0.005","90","","90","","90","","5376","3","293","2","293","2","","","","","","","synthesis as described","8","P 21 21 21","P 2ac 2ab","19","Compound X","","","- C57 H56 Cl N5 O9 P2 Ru S -","- C57 H56 Cl N5 O9 P2 Ru S -","- C228 H224 Cl4 N20 O36 P8 Ru4 S4 -","4","1","","Martins, Felipe Terra; Corrêa, Rodrigo S.; Batista, Alzir Azevedo; Ellena, Javier","Quasi-enantiomeric single-nucleoside and quasi-racemic two-nucleoside hydrochloride salts and ruthenium complexes of cytidine and 2′,3′-dideoxycytidine analogs unveiling the negligible structure-driving role of the 2′,3′-moieties","CrystEngComm","2014","16","30","7013","","10.1039/C4CE00678J","","x-ray","0.71073","MoKα","","0.1054","0.0692","","","0.1495","0.1655","","","","","","1.032","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215884","10.432","0.001","20.6","0.003","27.012","0.005","90","","98.2","0.05","90","","5745.5","1.6","293","2","293","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","ctd_cwbpy","","","- C114.5 H115 Cl2 N10 O21 P4 Ru2 -","- C114.5 H115 Cl2 N10 O21 P4 Ru2 -","- C229 H230 Cl4 N20 O42 P8 Ru4 -","2","1","","Martins, Felipe Terra; Corrêa, Rodrigo S.; Batista, Alzir Azevedo; Ellena, Javier","Quasi-enantiomeric single-nucleoside and quasi-racemic two-nucleoside hydrochloride salts and ruthenium complexes of cytidine and 2′,3′-dideoxycytidine analogs unveiling the negligible structure-driving role of the 2′,3′-moieties","CrystEngComm","2014","16","30","7013","","10.1039/C4CE00678J","","x-ray","0.71073","MoKα","","0.0767","0.0469","","","0.108","0.1184","","","","","","1.001","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215885","15.0914","0.0002","16.7363","0.0003","13.0708","0.0003","90","","90","","90","","3301.35","0.11","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H35 N6 O13 Tb -","- C30 H35 N6 O13 Tb -","- C120 H140 N24 O52 Tb4 -","4","1","","Yang, Qing-Yuan; Pan, Mei; Wei, Shi-Chao; Hsu, Chien-Wei; Lehn, Jean-Marie; Su, Cheng-Yong","Photoluminescent 3D lanthanide MOFs with a rare (10,3)-d net based on a new tripodal organic linker","CrystEngComm","2014","16","28","6469","","10.1039/c4ce00586d","","","1.54178","CuKα","","0.0354","0.0297","","","0.0655","0.0666","","","","","","1.052","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215886","15.1122","0.0002","16.7251","0.0002","13.2575","0.0002","90","","90","","90","","3350.87","0.08","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H35 Ce N6 O13 -","- C30 H35 Ce N6 O13 -","- C120 H140 Ce4 N24 O52 -","4","1","","Yang, Qing-Yuan; Pan, Mei; Wei, Shi-Chao; Hsu, Chien-Wei; Lehn, Jean-Marie; Su, Cheng-Yong","Photoluminescent 3D lanthanide MOFs with a rare (10,3)-d net based on a new tripodal organic linker","CrystEngComm","2014","16","28","6469","","10.1039/c4ce00586d","","","1.54178","CuKα","","0.0318","0.0289","","","0.0683","0.0692","","","","","","0.997","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215887","5.05836","0.00011","7.1121","0.0003","45.2723","0.0017","90","","90","","90","","1628.7","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","S-naproxen L-alanine","(+)-(S)-2-(6-methoxynaphthalen-2-yl) propanoic acid (S)-2-Aminopropionic acid","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C68 H84 N4 O20 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Structural insight into cocrystallization with zwitterionic co-formers: cocrystals of S-naproxen","CrystEngComm","2014","16","35","8185","","10.1039/C4CE00353E","","x-ray","0.68239","","","0.0512","0.05","","","0.1338","0.1349","","","","","","1.096","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215888","5.3366","0.0004","6.9013","0.0006","44.227","0.004","90","","90","","90","","1628.9","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","S-naproxen D-alanine","(+)-(S)-2-(6-methoxynaphthalen-2-yl) propanoic acid (R)-2-Aminopropionic acid","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C68 H84 N4 O20 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Structural insight into cocrystallization with zwitterionic co-formers: cocrystals of S-naproxen","CrystEngComm","2014","16","35","8185","","10.1039/C4CE00353E","","x-ray","0.71073","MoKα","","0.1001","0.0833","","","0.2141","0.2249","","","","","","1.139","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215889","5.88418","0.00016","11.3844","0.0003","34.6863","0.0009","90","","90","","90","","2323.56","0.11","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","S-naproxen D-tryptophan monohydrate","(+)-(S)-2-(6-methoxynaphthalen-2-yl) propanoic acid (2R)-2-amino-3-(1H-indol-3-yl)propanoic acid monohydrate","","- C25 H28 N2 O6 -","- C25 H28 N2 O6 -","- C100 H112 N8 O24 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Structural insight into cocrystallization with zwitterionic co-formers: cocrystals of S-naproxen","CrystEngComm","2014","16","35","8185","","10.1039/C4CE00353E","","x-ray","0.71073","MoKα","","0.0688","0.046","","","0.0901","0.0992","","","","","","1.033","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215890","9.4508","0.0004","5.9725","0.0002","18.9525","0.0007","90","","103.814","0.002","90","","1038.83","0.07","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","S-naproxen D-tyrosine","(+)-(S)-2-(6-methoxynaphthalen-2-yl)propanoic acid (R)-2-Amino-3-(4-hydroxyphenyl)propanoic acid","","- C23 H25 N O6 -","- C23 H25 N O6 -","- C46 H50 N2 O12 -","2","1","","Tumanova, Natalia; Tumanov, Nikolay; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Structural insight into cocrystallization with zwitterionic co-formers: cocrystals of S-naproxen","CrystEngComm","2014","16","35","8185","","10.1039/C4CE00353E","powder diffraction","x-ray","0.823065","","","","","","","","","","8.9902","32.9759","","","","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215891","7.339","0.005","3.915","0.003","22.078","0.014","90","","99.08","0.009","90","","626.4","0.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H6 Br2 S2 -","- C14 H6 Br2 S2 -","- C28 H12 Br4 S4 -","2","0.5","","Vyas, Vijay S.; Gutzler, Rico; Nuss, Jürgen; Kern, Klaus; Lotsch, Bettina V.","Optical gap in herringbone and π-stacked crystals of [1]benzothieno[3,2-b]benzothiophene and its brominated derivative","CrystEngComm","2014","16","32","7389","","10.1039/C4CE00752B","","x-ray","0.71073","MoKα","","0.0966","0.092","","","0.2529","0.2555","","","","","","1.187","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215892","11.8009","0.0018","5.8622","0.0009","7.9331","0.0012","90","","105.974","0.003","90","","527.61","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 S2 -","- C14 H8 S2 -","- C28 H16 S4 -","2","0.5","","Vyas, Vijay S.; Gutzler, Rico; Nuss, Jürgen; Kern, Klaus; Lotsch, Bettina V.","Optical gap in herringbone and π-stacked crystals of [1]benzothieno[3,2-b]benzothiophene and its brominated derivative","CrystEngComm","2014","16","32","7389","","10.1039/C4CE00752B","","x-ray","0.71073","MoKα","","0.0298","0.0263","","","0.0717","0.0745","","","","","","1.087","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215893","9.615","0.0003","21.122","0.0009","13.152","0.0004","90","","91.126","0.003","90","","2670.5","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 Cd3 N14 O12 -","- C40 H52 Cd3 N14 O12 -","- C80 H104 Cd6 N28 O24 -","2","0.5","","He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Ma, Jian-Fang; Liu, Ying-Ying","Tuning the void volume in a series of isomorphic porous metal‒organic frameworks by varying the solvent size and length of organic ligands","CrystEngComm","2014","16","24","5450","","10.1039/c4ce00347k","","","0.71069","MoKα","","0.0569","0.0482","","","0.1681","0.1783","","","","","","1.005","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215894","9.628","0.0004","21.337","0.0007","13.208","0.0004","90","","91.953","0.003","90","","2711.78","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H52 Cd3 N14 O12 -","- C44 H34 Cd3 N14 O12 -","- C88 H68 Cd6 N28 O24 -","2","0.5","","He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Ma, Jian-Fang; Liu, Ying-Ying","Tuning the void volume in a series of isomorphic porous metal‒organic frameworks by varying the solvent size and length of organic ligands","CrystEngComm","2014","16","24","5450","","10.1039/c4ce00347k","","","0.71069","MoKα","","0.0445","0.0356","","","0.0792","0.085","","","","","","1.08","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215895","9.638","0.0012","15.443","0.0015","18.717","0.0016","90","","90","","90","","2785.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H56 Cd3 N18 O12 -","- C44 H56 Cd3 N18 O12 -","- C88 H112 Cd6 N36 O24 -","2","0.5","","He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Ma, Jian-Fang; Liu, Ying-Ying","Tuning the void volume in a series of isomorphic porous metal‒organic frameworks by varying the solvent size and length of organic ligands","CrystEngComm","2014","16","24","5450","","10.1039/c4ce00347k","","","0.71069","MoKα","","0.0624","0.0427","","","0.0853","0.0953","","","","","","1.007","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215896","10.974","0.0005","22.669","0.0013","14.106","0.0007","90","","96.637","0.004","90","","3485.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H72 Cd3 N32 O7 -","- C48 H72 Cd3 N32 O7 -","- C96 H144 Cd6 N64 O14 -","2","0.5","","He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Ma, Jian-Fang; Liu, Ying-Ying","Tuning the void volume in a series of isomorphic porous metal‒organic frameworks by varying the solvent size and length of organic ligands","CrystEngComm","2014","16","24","5450","","10.1039/c4ce00347k","","","0.71069","MoKα","","0.118","0.0599","","","0.1079","0.1343","","","","","","1.027","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215897","11.029","0.0004","22.762","0.0007","14.48","0.0004","90","","97.147","0.003","90","","3606.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Cd3 N32 O7 -","- C54 H70 Cd3 N32 O7 -","- C108 H140 Cd6 N64 O14 -","2","0.5","","He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Ma, Jian-Fang; Liu, Ying-Ying","Tuning the void volume in a series of isomorphic porous metal‒organic frameworks by varying the solvent size and length of organic ligands","CrystEngComm","2014","16","24","5450","","10.1039/c4ce00347k","","","0.71069","MoKα","","0.0808","0.0457","","","0.0877","0.1053","","","","","","1.051","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215898","11.054","0.0005","22.723","0.001","14.666","0.0007","90","","96.8","0.004","90","","3657.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H76 Cd3 N38 O6 -","- C54 H76 Cd3 N38 O6 -","- C108 H152 Cd6 N76 O12 -","2","0.5","","He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Ma, Jian-Fang; Liu, Ying-Ying","Tuning the void volume in a series of isomorphic porous metal‒organic frameworks by varying the solvent size and length of organic ligands","CrystEngComm","2014","16","24","5450","","10.1039/c4ce00347k","","","0.71069","MoKα","","0.0506","0.0375","","","0.08","0.0877","","","","","","1.041","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215899","26.674","0.002","26.674","0.002","18.4694","0.002","90","","90","","120","","11380.5","1.7","100","2","100","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C10 H7 Co N5 O2 -","- C10 H7 Co N5 O2 -","- C240 H168 Co24 N120 O48 -","24","1","","Panda, Tamas; Gupta, Krishna M.; Jiang, Jianwen; Banerjee, Rahul","Enhancement of CO2 uptake in iso-reticular Co based zeolitic imidazolate frameworks via metal replacement","CrystEngComm","2014","16","22","4677","","10.1039/c3ce42075b","","","0.71073","MoKα","","0.163","0.0992","","","0.2938","0.33","","","","","","0.884","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215900","26.113","0.002","26.113","0.002","19.6459","0.0014","90","","90","","120","","11601.6","1.5","100","2","100","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C10 H5 Cl2 Co N5 O2 -","- C10 H5 Cl2 Co N5 O2 -","- C240 H120 Cl48 Co24 N120 O48 -","24","1","","Panda, Tamas; Gupta, Krishna M.; Jiang, Jianwen; Banerjee, Rahul","Enhancement of CO2 uptake in iso-reticular Co based zeolitic imidazolate frameworks via metal replacement","CrystEngComm","2014","16","22","4677","","10.1039/c3ce42075b","","","0.71073","MoKα","","0.1765","0.0997","","","0.2862","0.334","","","","","","0.979","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215901","25.9949","0.0012","25.9949","0.0012","19.7757","0.0011","90","","90","","120","","11572.8","1","100","2","100","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C10 H5 Br2 Co N5 O2 -","- C10 H5 Br2 Co N5 O2 -","- C240 H120 Br48 Co24 N120 O48 -","24","1","","Panda, Tamas; Gupta, Krishna M.; Jiang, Jianwen; Banerjee, Rahul","Enhancement of CO2 uptake in iso-reticular Co based zeolitic imidazolate frameworks via metal replacement","CrystEngComm","2014","16","22","4677","","10.1039/c3ce42075b","","","0.71073","MoKα","","0.1975","0.0995","","","0.2545","0.3115","","","","","","0.702","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215902","16.963","0.003","13.596","0.002","12.654","0.002","90","","106.632","0.002","90","","2796.3","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H15 F15 N4 O3 -","- C27 H15 F15 N4 O3 -","- C108 H60 F60 N16 O12 -","4","1","","Saha, Subrata; Akhuli, Bidyut; Ravikumar, I.; Lakshminarayanan, P. S.; Ghosh, Pradyut","Recognition of fluoride in fluorophenyl attached tripodal amide receptors: structural evidence of solvent capped encapsulation of anion in a C3v-symmetric tripodal cleft","CrystEngComm","2014","16","22","4796","","10.1039/c3ce42440e","","","0.71073","MoKα","","0.0599","0.0359","","","0.0846","0.0973","","","","","","1.021","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215903","10.891","0.0017","17.196","0.003","14.431","0.002","90","","103.322","0.004","90","","2629.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 F12 N4 O3 -","- C27 H18 F12 N4 O3 -","- C108 H72 F48 N16 O12 -","4","1","","Saha, Subrata; Akhuli, Bidyut; Ravikumar, I.; Lakshminarayanan, P. S.; Ghosh, Pradyut","Recognition of fluoride in fluorophenyl attached tripodal amide receptors: structural evidence of solvent capped encapsulation of anion in a C3v-symmetric tripodal cleft","CrystEngComm","2014","16","22","4796","","10.1039/c3ce42440e","","","0.71073","MoKα","","0.0533","0.0391","","","0.1005","0.1123","","","","","","1.012","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215904","11.8227","0.0009","13.8754","0.001","15.4686","0.0011","86.231","0.001","76.249","0.001","86.874","0.001","2457.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H52 Cl3 F16 N5 O3 -","- C44 H52 Cl3 F16 N5 O3 -","- C88 H104 Cl6 F32 N10 O6 -","2","1","","Saha, Subrata; Akhuli, Bidyut; Ravikumar, I.; Lakshminarayanan, P. S.; Ghosh, Pradyut","Recognition of fluoride in fluorophenyl attached tripodal amide receptors: structural evidence of solvent capped encapsulation of anion in a C3v-symmetric tripodal cleft","CrystEngComm","2014","16","22","4796","","10.1039/c3ce42440e","","","0.71073","MoKα","","0.0612","0.039","","","0.0866","0.0974","","","","","","1.025","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215905","14.4149","0.0008","16.8287","0.001","22.6106","0.0012","90","","101.373","0.002","90","","5377.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H52 Cl4 F15 N5 O3 -","- C44 H52 Cl4 F15 N5 O3 -","- C176 H208 Cl16 F60 N20 O12 -","4","1","","Saha, Subrata; Akhuli, Bidyut; Ravikumar, I.; Lakshminarayanan, P. S.; Ghosh, Pradyut","Recognition of fluoride in fluorophenyl attached tripodal amide receptors: structural evidence of solvent capped encapsulation of anion in a C3v-symmetric tripodal cleft","CrystEngComm","2014","16","22","4796","","10.1039/c3ce42440e","","","0.71073","MoKα","","0.1168","0.0987","","","0.2871","0.3073","","","","","","1.009","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215906","8.053","0.0003","9.722","0.0004","16.051","0.0004","90","","96.788","0.002","90","","1247.84","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N6 O6 Pd S2 -","- C22 H16 N6 O6 Pd S2 -","- C44 H32 N12 O12 Pd2 S4 -","2","0.5","","Pérez, José; Serrano, J. Luis; da Silva, Ivan; Espinosa, Arturo; Pérez, Eduardo; García, Luis","Ligand hierarchy on driving the crystal packing. Effect of supramolecular interactions on solid-state conformations adopted by saccharinate Pd(ii) complexes","CrystEngComm","2014","16","30","7124","","10.1039/C4CE00518J","","","0.71073","MoKα","","0.0772","0.0397","","","0.1023","0.1269","","","","","","1.041","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215907","8.3977","0.0014","11.2186","0.0018","12.207","0.002","90","","108.288","0.005","90","","1091.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C9 H10 N O3 Pd0.5 S2 -","- C9 H10 N O3 Pd0.5 S2 -","- C36 H40 N4 O12 Pd2 S8 -","4","1","","Pérez, José; Serrano, J. Luis; da Silva, Ivan; Espinosa, Arturo; Pérez, Eduardo; García, Luis","Ligand hierarchy on driving the crystal packing. Effect of supramolecular interactions on solid-state conformations adopted by saccharinate Pd(ii) complexes","CrystEngComm","2014","16","30","7124","","10.1039/C4CE00518J","","","0.71073","MoKα","","0.0606","0.0567","","","0.1692","0.1752","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215908","22.245","0.002","13.6954","0.0014","7.5899","0.0008","90","","90","","90","","2312.3","0.4","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C18 H22 N2 O8 Pd S4 -","- C18 H22 N2 O8 Pd S4 -","- C72 H88 N8 O32 Pd4 S16 -","4","0.5","","Pérez, José; Serrano, J. Luis; da Silva, Ivan; Espinosa, Arturo; Pérez, Eduardo; García, Luis","Ligand hierarchy on driving the crystal packing. Effect of supramolecular interactions on solid-state conformations adopted by saccharinate Pd(ii) complexes","CrystEngComm","2014","16","30","7124","","10.1039/C4CE00518J","","","0.71073","MoKα","","0.0418","0.0396","","","0.0993","0.1004","","","","","","1.065","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215909","12.03223","0.00012","14.00604","0.00015","9.78155","0.0001","90","","110.872","0.0013","90","","1540.25","0.03","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N6 O8 Pd S2 -","- C26 H20 N6 O8 Pd S2 -","- C52 H40 N12 O16 Pd2 S4 -","2","0.5","","Pérez, José; Serrano, J. Luis; da Silva, Ivan; Espinosa, Arturo; Pérez, Eduardo; García, Luis","Ligand hierarchy on driving the crystal packing. Effect of supramolecular interactions on solid-state conformations adopted by saccharinate Pd(ii) complexes","CrystEngComm","2014","16","30","7124","","10.1039/C4CE00518J","powder diffraction","","0.8269","synchrotron","","","","","","","","","3.7832","2.6442","","","","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215910","9.67234","0.0001","14.37138","0.00015","8.18547","0.0001","90","","92.7327","0.0001","90","","1136.53","0.02","298","","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H20 N6 O6 Pd -","- C20 H20 N6 O6 Pd -","- C40 H40 N12 O12 Pd2 -","2","0.5","","Pérez, José; Serrano, J. Luis; da Silva, Ivan; Espinosa, Arturo; Pérez, Eduardo; García, Luis","Ligand hierarchy on driving the crystal packing. Effect of supramolecular interactions on solid-state conformations adopted by saccharinate Pd(ii) complexes","CrystEngComm","2014","16","30","7124","","10.1039/C4CE00518J","powder diffraction","","0.8269","synchrotron","","","","","","","","","4.3496","2.5756","","","","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215911","16.24","0.0007","13.6625","0.0005","14.8867","0.0007","90","","111.728","0.005","90","","3068.4","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H30.5 Ag2 Fe N8.5 O3 -","- C20 H20 Ag2 Fe N8 -","- C80 H80 Ag8 Fe4 N32 -","4","0.5","","Li, Jin-Yan; Ni, Zhao-Ping; Yan, Zheng; Zhang, Ze-Min; Chen, Yan-Cong; Liu, Wei; Tong, Ming-Liang","Cyanide-bridged bimetallic 3D Hoffman-like coordination polymers with tunable magnetic behaviour","CrystEngComm","2014","16","28","6444","","10.1039/c4ce00342j","","","1.54178","CuKα","","0.0484","0.0448","","","0.1139","0.1162","","","","","","1.075","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215912","16.3171","0.0009","13.8577","0.0005","14.8466","0.0009","90","","111.744","0.006","90","","3118.2","0.3","225","2","225","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H30.5 Ag2 Fe N8.5 O3 -","- C20 H20 Ag2 Fe N8 -","- C80 H80 Ag8 Fe4 N32 -","4","0.5","","Li, Jin-Yan; Ni, Zhao-Ping; Yan, Zheng; Zhang, Ze-Min; Chen, Yan-Cong; Liu, Wei; Tong, Ming-Liang","Cyanide-bridged bimetallic 3D Hoffman-like coordination polymers with tunable magnetic behaviour","CrystEngComm","2014","16","28","6444","","10.1039/c4ce00342j","","","1.54178","CuKα","","0.0586","0.0528","","","0.1419","0.1476","","","","","","1.071","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215913","16.622","0.002","13.9014","0.001","15.434","0.003","90","","112.586","0.017","90","","3292.8","0.9","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H30.5 Ag2 Fe N8.5 O3 -","- C20 H20 Ag2 Fe N8 -","- C80 H80 Ag8 Fe4 N32 -","4","0.5","","Li, Jin-Yan; Ni, Zhao-Ping; Yan, Zheng; Zhang, Ze-Min; Chen, Yan-Cong; Liu, Wei; Tong, Ming-Liang","Cyanide-bridged bimetallic 3D Hoffman-like coordination polymers with tunable magnetic behaviour","CrystEngComm","2014","16","28","6444","","10.1039/c4ce00342j","","","1.54178","CuKα","","0.0828","0.0682","","","0.1835","0.1961","","","","","","1.138","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215914","16.4515","0.0008","14.2025","0.0007","14.2637","0.0007","90","","112.084","0.001","90","","3088.2","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 Au2 Fe N9 O2.5 -","- C20 H20 Au2 Fe N8 -","- C80 H80 Au8 Fe4 N32 -","4","0.5","","Li, Jin-Yan; Ni, Zhao-Ping; Yan, Zheng; Zhang, Ze-Min; Chen, Yan-Cong; Liu, Wei; Tong, Ming-Liang","Cyanide-bridged bimetallic 3D Hoffman-like coordination polymers with tunable magnetic behaviour","CrystEngComm","2014","16","28","6444","","10.1039/c4ce00342j","","","0.71073","MoKα","","0.052","0.0434","","","0.0971","0.1023","","","","","","1.102","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215915","16.7493","0.0016","14.8047","0.0014","14.5137","0.0012","90","","113.493","0.003","90","","3300.6","0.5","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 Au2 Fe N9 O2.5 -","- C20 H20 Au2 Fe N8 -","- C80 H80 Au8 Fe4 N32 -","4","0.5","","Li, Jin-Yan; Ni, Zhao-Ping; Yan, Zheng; Zhang, Ze-Min; Chen, Yan-Cong; Liu, Wei; Tong, Ming-Liang","Cyanide-bridged bimetallic 3D Hoffman-like coordination polymers with tunable magnetic behaviour","CrystEngComm","2014","16","28","6444","","10.1039/c4ce00342j","","","0.71073","MoKα","","0.0972","0.066","","","0.1731","0.1921","","","","","","1.125","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215916","11.5168","0.0011","10.1374","0.0008","9.6121","0.0009","90","","103.266","0.003","90","","1092.27","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Fe N8 Ni -","- C20 H20 Fe N8 Ni -","- C40 H40 Fe2 N16 Ni2 -","2","0.5","","Li, Jin-Yan; Ni, Zhao-Ping; Yan, Zheng; Zhang, Ze-Min; Chen, Yan-Cong; Liu, Wei; Tong, Ming-Liang","Cyanide-bridged bimetallic 3D Hoffman-like coordination polymers with tunable magnetic behaviour","CrystEngComm","2014","16","28","6444","","10.1039/c4ce00342j","","","0.71073","MoKα","","0.0701","0.0396","","","0.0846","0.0989","","","","","","0.982","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215917","15.7239","0.0019","16.158","0.002","40.866","0.01","90","","90","","90","","10383","3","296","2","296","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C15 H11 Co N2 O6 S2 -","- C15 H11 Co N2 O6 S2 -","- C240 H176 Co16 N32 O96 S32 -","16","0.5","","Sanda, Suresh; Goswami, Soumyabrata; Jena, Himanshu Sekhar; Parshamoni, Srinivasulu; Konar, Sanjit","A family of three magnetic metal organic frameworks: their synthesis, structural, magnetic and vapour adsorption study","CrystEngComm","2014","16","22","4742","","10.1039/c3ce42451k","","","0.71073","MoKα","","0.0848","0.0846","","","0.2473","0.2475","","","","","","1.117","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215918","8.315","0.002","10.205","0.003","20.279","0.005","90","","113.12","0.012","90","","1582.6","0.7","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C30 H18 Cu N4 O10 S4 -","- C30 H18 Cu N4 O10 S4 -","- C60 H36 Cu2 N8 O20 S8 -","2","0.5","","Sanda, Suresh; Goswami, Soumyabrata; Jena, Himanshu Sekhar; Parshamoni, Srinivasulu; Konar, Sanjit","A family of three magnetic metal organic frameworks: their synthesis, structural, magnetic and vapour adsorption study","CrystEngComm","2014","16","22","4742","","10.1039/c3ce42451k","","","0.71073","MoKα","","0.0582","0.0567","","","0.1696","0.1713","","","","","","1.009","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215919","15.8979","0.0012","15.7892","0.0012","20.3288","0.0016","90","","106.324","0.008","90","","4897.1","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H18 N4 Ni2 O25 S4 -","- C34 H18 N4 Ni2 O25 S4 -","- C136 H72 N16 Ni8 O100 S16 -","4","0.5","","Sanda, Suresh; Goswami, Soumyabrata; Jena, Himanshu Sekhar; Parshamoni, Srinivasulu; Konar, Sanjit","A family of three magnetic metal organic frameworks: their synthesis, structural, magnetic and vapour adsorption study","CrystEngComm","2014","16","22","4742","","10.1039/c3ce42451k","","","0.71073","MoKα","","0.1013","0.0931","","","0.2556","0.2606","","","","","","1.162","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215920","6.0904","0.0015","10.3943","0.0015","13.5423","0.0019","73.19","0.05","79.7","0.05","78.31","0.06","797","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Cytosine tribromoacetate","","","- C10 Br3 N6 O4 -","- C10 Br3 N6 O4 -","- C20 Br6 N12 O8 -","2","1","","Chakraborty, Shaunak; Ganguly, Somnath; Desiraju, Gautam R.","Synthon transferability probed with IR spectroscopy: cytosine salts as models for salts of lamivudine","CrystEngComm","2014","16","22","4732","","10.1039/c3ce42156b","","","0.71073","MoKα","","0.0841","0.0703","","","0.1747","0.2127","","","","","","1.189","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215921","12.8936","0.0011","6.6821","0.0005","17.1763","0.0013","90","","108.031","0.002","90","","1407.17","0.19","296","2","296","2","","","","","","","","4","P 1 2 1","P 2y","3","","","","- C10 N3 O7.5 S -","- C10 N3 O7.5 S -","- C40 N12 O30 S4 -","4","2","","Chakraborty, Shaunak; Ganguly, Somnath; Desiraju, Gautam R.","Synthon transferability probed with IR spectroscopy: cytosine salts as models for salts of lamivudine","CrystEngComm","2014","16","22","4732","","10.1039/c3ce42156b","","","0.71073","MoKα","","0.1282","0.1174","","","0.3467","0.3622","","","","","","1.687","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215922","6.7021","0.0015","9.134","0.002","37.734","0.01","90","","90","","90","","2310","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N6 O10 S2 -","- C18 H24 N6 O10 S2 -","- C72 H96 N24 O40 S8 -","4","1","","Chakraborty, Shaunak; Ganguly, Somnath; Desiraju, Gautam R.","Synthon transferability probed with IR spectroscopy: cytosine salts as models for salts of lamivudine","CrystEngComm","2014","16","22","4732","","10.1039/c3ce42156b","","","0.71073","MoKα","","0.0672","0.0588","","","0.1465","0.1631","","","","","","1.092","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215923","6.944","0.0007","28.891","0.003","6.9559","0.0008","90","","95.357","0.004","90","","1389.4","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H34 N6 O10 S2 -","- C23 H34 N6 O10 S2 -","- C46 H68 N12 O20 S4 -","2","1","","Chakraborty, Shaunak; Ganguly, Somnath; Desiraju, Gautam R.","Synthon transferability probed with IR spectroscopy: cytosine salts as models for salts of lamivudine","CrystEngComm","2014","16","22","4732","","10.1039/c3ce42156b","","","0.71073","MoKα","","0.0452","0.0412","","","0.1043","0.1176","","","","","","1.105","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215924","8.3066","0.0004","9.3439","0.0004","11.7372","0.0005","79.248","0.002","70.499","0.002","75.926","0.002","827.41","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Pr_mal_fumarate","","","- C10 H14 O15 Pr2 -","- C10 H14 O15 Pr2 -","- C20 H28 O30 Pr4 -","2","1","","Sushrutha, S. R.; Natarajan, Srinivasan","Rare-earth carboxylates, [Ln2(iii)(μ3-OH)(C4H4O5)2(C4H2O4)]·2H2O [Ln = Ce, Pr and Nd]: synthesis, structure and properties","CrystEngComm","2014","16","22","4774","","10.1039/c3ce42311e","","","0.71073","MoKα","","0.0315","0.0276","","","0.0763","0.0792","","","","","","1.065","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215925","8.2557","0.0005","9.3918","0.0006","11.6162","0.0008","80.241","0.006","70.487","0.006","75.339","0.005","817.73","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","pr_mal_fumarate_ht","","","- C10 H9 O13 Pr2 -","- C10 H9 O13 Pr2 -","- C20 H18 O26 Pr4 -","2","1","","Sushrutha, S. R.; Natarajan, Srinivasan","Rare-earth carboxylates, [Ln2(iii)(μ3-OH)(C4H4O5)2(C4H2O4)]·2H2O [Ln = Ce, Pr and Nd]: synthesis, structure and properties","CrystEngComm","2014","16","22","4774","","10.1039/c3ce42311e","","","0.71073","MoKα","","0.0365","0.0314","","","0.078","0.0823","","","","","","1.028","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215926","8.2494","0.0004","9.311","0.0004","11.6959","0.0006","79.306","0.004","70.324","0.004","76.048","0.004","815.58","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Nd_mal_fumarate","","","- C10 H10 Nd2 O15 -","- C10 H10 Nd2 O15 -","- C20 H20 Nd4 O30 -","2","1","","Sushrutha, S. R.; Natarajan, Srinivasan","Rare-earth carboxylates, [Ln2(iii)(μ3-OH)(C4H4O5)2(C4H2O4)]·2H2O [Ln = Ce, Pr and Nd]: synthesis, structure and properties","CrystEngComm","2014","16","22","4774","","10.1039/c3ce42311e","","","0.71073","MoKα","","0.0278","0.0243","","","0.0578","0.06","","","","","","1.021","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215927","7.341","0.0005","7.4478","0.0004","24.44","0.003","96.237","0.007","90.714","0.007","103.836","0.005","1288.8","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","TBPO.4-nitrobenzoic acid","","","- C27 H24 N4 O9 -","- C27 H24 N4 O9 -","- C54 H48 N8 O18 -","2","1","","Saraswatula, Viswanadha G.; Bhat, Mukhtar A.; Gurunathan, Pradeep Kumar; Saha, Binoy K.","Comparison of pyridyl and pyridyl N-oxide groups as acceptor in hydrogen bonding with carboxylic acid","CrystEngComm","2014","16","22","4715","","10.1039/c3ce42449a","","","0.7107","MoKα","","0.154","0.0569","","","0.1024","0.1421","","","","","","0.972","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215928","15.3106","0.0011","11.2938","0.0007","14.6971","0.0007","90","","99.163","0.006","90","","2508.9","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N4 O5 -","- C29 H24 N4 O5 -","- C116 H96 N16 O20 -","4","1","","Saraswatula, Viswanadha G.; Bhat, Mukhtar A.; Gurunathan, Pradeep Kumar; Saha, Binoy K.","Comparison of pyridyl and pyridyl N-oxide groups as acceptor in hydrogen bonding with carboxylic acid","CrystEngComm","2014","16","22","4715","","10.1039/c3ce42449a","","","0.71073","MoKα","","0.1305","0.0551","","","0.1218","0.1584","","","","","","0.997","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215929","6.2766","0.0009","7.8957","0.0013","17.992","0.003","100.669","0.013","93.653","0.012","95.958","0.013","868.4","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","TBPO.4-hydroxybenzoic acid","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C40 H40 N4 O8 -","2","1","","Saraswatula, Viswanadha G.; Bhat, Mukhtar A.; Gurunathan, Pradeep Kumar; Saha, Binoy K.","Comparison of pyridyl and pyridyl N-oxide groups as acceptor in hydrogen bonding with carboxylic acid","CrystEngComm","2014","16","22","4715","","10.1039/c3ce42449a","","","0.7107","MoKα","","0.1378","0.0728","","","0.1627","0.2071","","","","","","0.995","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215930","7.3004","0.0009","10.1353","0.0013","20.884","0.002","99.943","0.009","90.989","0.009","108.782","0.012","1436.6","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","BPO.alpha-cyanocoumaric acid","","","- C33 H28 N4 O7 -","- C33 H28 N4 O7 -","- C66 H56 N8 O14 -","2","1","","Saraswatula, Viswanadha G.; Bhat, Mukhtar A.; Gurunathan, Pradeep Kumar; Saha, Binoy K.","Comparison of pyridyl and pyridyl N-oxide groups as acceptor in hydrogen bonding with carboxylic acid","CrystEngComm","2014","16","22","4715","","10.1039/c3ce42449a","","","0.7107","MoKα","","0.1791","0.1181","","","0.3032","0.3593","","","","","","1.061","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215931","6.4902","0.0017","7.288","0.002","16.056","0.003","88.34","0.02","78.438","0.019","73.56","0.03","713.3","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","BPO.4-hydroxybenzoic acid","","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C34 H28 N4 O8 -","2","1","","Saraswatula, Viswanadha G.; Bhat, Mukhtar A.; Gurunathan, Pradeep Kumar; Saha, Binoy K.","Comparison of pyridyl and pyridyl N-oxide groups as acceptor in hydrogen bonding with carboxylic acid","CrystEngComm","2014","16","22","4715","","10.1039/c3ce42449a","","","0.7107","MoKα","","0.1789","0.0616","","","0.1182","0.1693","","","","","","0.972","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215932","13.3286","0.0004","10.7445","0.0003","12.3344","0.0004","90","","102.018","0.003","90","","1727.68","0.09","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H15 N3 O4 -","- C20 H15 N3 O4 -","- C80 H60 N12 O16 -","4","1","","Saraswatula, Viswanadha G.; Bhat, Mukhtar A.; Gurunathan, Pradeep Kumar; Saha, Binoy K.","Comparison of pyridyl and pyridyl N-oxide groups as acceptor in hydrogen bonding with carboxylic acid","CrystEngComm","2014","16","22","4715","","10.1039/c3ce42449a","","","0.7107","MoKα","","0.037","0.0338","","","0.0851","0.0883","","","","","","1.035","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215933","6.8052","0.0004","9.9004","0.0007","12.1414","0.001","111.542","0.007","93.418","0.006","98.055","0.006","747.87","0.1","150","","150","","","","","","","","","4","P -1","-P 1","2","BPO.4-hydroxybenzoic acid.H2O","","","- C17 H16 N2 O5 -","- C17 H16 N2 O5 -","- C34 H32 N4 O10 -","2","1","","Saraswatula, Viswanadha G.; Bhat, Mukhtar A.; Gurunathan, Pradeep Kumar; Saha, Binoy K.","Comparison of pyridyl and pyridyl N-oxide groups as acceptor in hydrogen bonding with carboxylic acid","CrystEngComm","2014","16","22","4715","","10.1039/c3ce42449a","","","0.7107","MoKα","","0.0458","0.0379","","","0.0935","0.1003","","","","","","1.061","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215934","7.6894","0.0005","19.34","0.001","10.691","0.0006","90","","101.843","0.005","90","","1556.05","0.16","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BPO.p-coumaric acid","","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C76 H64 N8 O16 -","4","1","","Saraswatula, Viswanadha G.; Bhat, Mukhtar A.; Gurunathan, Pradeep Kumar; Saha, Binoy K.","Comparison of pyridyl and pyridyl N-oxide groups as acceptor in hydrogen bonding with carboxylic acid","CrystEngComm","2014","16","22","4715","","10.1039/c3ce42449a","","","0.7107","MoKα","","0.0841","0.0462","","","0.0945","0.1104","","","","","","1.036","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215935","22.305","0.002","12.0112","0.0012","15.3336","0.0015","90","","100.953","0.002","90","","4033.2","0.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","chlorodimethyl sulfonylhydrazone","chlorodimethyl sulfonylhydrazone","","- C21 H19 Cl N2 O2 S -","- C21 H19 Cl N2 O2 S -","- C168 H152 Cl8 N16 O16 S8 -","8","1","","Thakuria, Ranjit; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism and isostructurality in sulfonylhydrazones","CrystEngComm","2014","16","22","4681","","10.1039/c3ce42301h","","","0.71073","MoKα","","0.0663","0.0514","","","0.127","0.136","","","","","","1.039","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215936","11.726","0.005","15.488","0.007","22.317","0.01","90","","90","","90","","4053","3","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","chlorodimethyl sulfonylhydrazone","chlorodimethyl sulfonylhydrazone","","- C21 H19 Cl N2 O2 S -","- C21 H19 Cl N2 O2 S -","- C168 H152 Cl8 N16 O16 S8 -","8","1","","Thakuria, Ranjit; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism and isostructurality in sulfonylhydrazones","CrystEngComm","2014","16","22","4681","","10.1039/c3ce42301h","","","0.71073","MoKα","","0.0631","0.0451","","","0.1141","0.1268","","","","","","1.05","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215937","11.939","0.002","15.261","0.003","21.322","0.004","90","","90","","90","","3884.9","1.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","fluorodimethyl sulfonylhydrazone","fluorodimethyl sulfonylhydrazone","","- C21 H19 F N2 O2 S -","- C21 H19 F N2 O2 S -","- C168 H152 F8 N16 O16 S8 -","8","1","","Thakuria, Ranjit; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism and isostructurality in sulfonylhydrazones","CrystEngComm","2014","16","22","4681","","10.1039/c3ce42301h","","","0.71073","MoKα","","0.055","0.0428","","","0.1138","0.1233","","","","","","1.048","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215938","11.6335","0.0016","11.6089","0.0016","15.843","0.002","90","","96.67","0.002","90","","2125.1","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","methyldiiodo sulfonylhydrazone","methyldiiodo sulfonylhydrazone","","- C20 H16 I2 N2 O2 S -","- C20 H16 I2 N2 O2 S -","- C80 H64 I8 N8 O8 S4 -","4","1","","Thakuria, Ranjit; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism and isostructurality in sulfonylhydrazones","CrystEngComm","2014","16","22","4681","","10.1039/c3ce42301h","","","0.71073","MoKα","","0.0447","0.039","","","0.1003","0.1047","","","","","","1.064","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215939","23.334","0.008","11.594","0.004","15.6","0.005","90","","103.035","0.005","90","","4112","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","tribromo sulfonylhydrazone","tribromo sulfonylhydrazone","","- C19 H13 Br3 N2 O2 S -","- C19 H13 Br3 N2 O2 S -","- C152 H104 Br24 N16 O16 S8 -","8","1","","Thakuria, Ranjit; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism and isostructurality in sulfonylhydrazones","CrystEngComm","2014","16","22","4681","","10.1039/c3ce42301h","","","0.71073","MoKα","","0.0793","0.0399","","","0.0836","0.1011","","","","","","1.003","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215940","22.655","0.004","11.6004","0.0018","15.428","0.003","90","","101.926","0.003","90","","3967.1","1.2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","trichloro sulfonylhydrazone","trichloro sulfonylhydrazone","","- C19 H13 Cl3 N2 O2 S -","- C19 H13 Cl3 N2 O2 S -","- C152 H104 Cl24 N16 O16 S8 -","8","1","","Thakuria, Ranjit; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism and isostructurality in sulfonylhydrazones","CrystEngComm","2014","16","22","4681","","10.1039/c3ce42301h","","","0.71073","MoKα","","0.092","0.0516","","","0.1124","0.1297","","","","","","1.016","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215941","9.236","0.002","8.784","0.002","29.629","0.007","90","","96.361","0.008","90","","2389","0.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 Cl6 Cu2 I2 N4 O8 -","- C36 H24 Cu2 I2 N4 O8 -","- C72 H48 Cu4 I4 N8 O16 -","2","0.5","","Mukherjee, Gargi; Biradha, Kumar","1D, 2D and 3D coordination polymers of 1,3-phenylene diisonicotinate with Cu(i)/Cu(ii): Cu2I2 building block, anion influence and guest inclusions","CrystEngComm","2014","16","22","4701","","10.1039/c4ce00123k","","","0.71073","MoKα","","0.1812","0.1241","","","0.2452","0.2529","","","","","","2.005","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215942","9.608","0.002","8.3895","0.0018","30.122","0.006","90","","97.841","0.006","90","","2405.3","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H34 Cu2 I2 N6 O12 -","- C48 H34 Cu2 I2 N6 O12 -","- C96 H68 Cu4 I4 N12 O24 -","2","0.5","","Mukherjee, Gargi; Biradha, Kumar","1D, 2D and 3D coordination polymers of 1,3-phenylene diisonicotinate with Cu(i)/Cu(ii): Cu2I2 building block, anion influence and guest inclusions","CrystEngComm","2014","16","22","4701","","10.1039/c4ce00123k","","","0.71073","MoKα","","0.103","0.0985","","","0.2364","0.2384","","","","","","1.065","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215943","9.47","0.003","8.587","0.003","30.417","0.009","90","","100.186","0.012","90","","2434.5","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H34 Cu2 I2 N6 O8 -","- C50 H34 Cu2 I2 N6 O8 -","- C100 H68 Cu4 I4 N12 O16 -","2","0.5","","Mukherjee, Gargi; Biradha, Kumar","1D, 2D and 3D coordination polymers of 1,3-phenylene diisonicotinate with Cu(i)/Cu(ii): Cu2I2 building block, anion influence and guest inclusions","CrystEngComm","2014","16","22","4701","","10.1039/c4ce00123k","","","0.71073","MoKα","","0.1764","0.1335","","","0.2975","0.3166","","","","","","1.011","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215944","9.6255","0.0019","8.448","0.0017","29.784","0.006","90","","94.921","0.007","90","","2413","0.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H34 Br2 Cu2 I2 N4 O8 -","- C48 H34 Br2 Cu2 I2 N4 O8 -","- C96 H68 Br4 Cu4 I4 N8 O16 -","2","0.5","","Mukherjee, Gargi; Biradha, Kumar","1D, 2D and 3D coordination polymers of 1,3-phenylene diisonicotinate with Cu(i)/Cu(ii): Cu2I2 building block, anion influence and guest inclusions","CrystEngComm","2014","16","22","4701","","10.1039/c4ce00123k","","","0.71073","MoKα","","0.1002","0.0672","","","0.2009","0.2177","","","","","","1.397","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215945","17.615","0.003","15.56","0.002","19.211","0.003","90","","115.087","0.004","90","","4768.8","1.3","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C37 H29 Cl3 Cu F12 N4 O10 P2 -","- C37 H24 Cl3 Cu F12 N4 O10 P2 -","- C148 H96 Cl12 Cu4 F48 N16 O40 P8 -","4","0.5","","Mukherjee, Gargi; Biradha, Kumar","1D, 2D and 3D coordination polymers of 1,3-phenylene diisonicotinate with Cu(i)/Cu(ii): Cu2I2 building block, anion influence and guest inclusions","CrystEngComm","2014","16","22","4701","","10.1039/c4ce00123k","","","0.71073","MoKα","","0.1104","0.0806","","","0.2175","0.2448","","","","","","0.977","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215946","16.835","0.008","9.707","0.005","39.767","0.019","90","","90.522","0.01","90","","6498","6","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C108 H106 Cl6 Cu3 N12 O65 -","- C108 H72 Cu3 N12 O27 -","- C216 H144 Cu6 N24 O54 -","2","0.5","","Mukherjee, Gargi; Biradha, Kumar","1D, 2D and 3D coordination polymers of 1,3-phenylene diisonicotinate with Cu(i)/Cu(ii): Cu2I2 building block, anion influence and guest inclusions","CrystEngComm","2014","16","22","4701","","10.1039/c4ce00123k","","","0.71073","MoKα","","0.126","0.0956","","","0.2194","0.234","","","","","","1.183","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215947","11.0728","0.0004","8.7248","0.0004","14.6199","0.0007","90","","109.072","0.002","90","","1334.87","0.1","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Theophylline, Resorcinol cocrystal monohydrate","","- C13 H16 N4 O5 -","- C13 H16 N4 O5 -","- C52 H64 N16 O20 -","4","1","","Sarma, Bipul; Saikia, Basanta","Hydrogen bond synthon competition in the stabilization of theophylline cocrystals","CrystEngComm","2014","16","22","4753","","10.1039/c3ce42332h","","","0.71073","MoKα","","0.0628","0.0291","","","0.0849","0.1215","","","","","","1.252","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215948","6.7236","0.0003","23.2123","0.0009","9.2933","0.0003","90","","98.822","0.002","90","","1433.25","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Theophylline, phluroglucinol cocrystal monohydrate","","- C13 H16 N4 O6 -","- C13 H16 N4 O6 -","- C52 H64 N16 O24 -","4","1","","Sarma, Bipul; Saikia, Basanta","Hydrogen bond synthon competition in the stabilization of theophylline cocrystals","CrystEngComm","2014","16","22","4753","","10.1039/c3ce42332h","","","0.71073","MoKα","","0.1262","0.0617","","","0.1474","0.1872","","","","","","0.967","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215949","9.8095","0.0015","13.369","0.002","23.858","0.004","90","","90","","90","","3128.8","0.9","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Theophylline Orcinol cocrystal dihydrate","","- C14 H20 N4 O6 -","- C14 H20 N4 O6 -","- C112 H160 N32 O48 -","8","1","","Sarma, Bipul; Saikia, Basanta","Hydrogen bond synthon competition in the stabilization of theophylline cocrystals","CrystEngComm","2014","16","22","4753","","10.1039/c3ce42332h","","","0.71073","MoKα","","0.0491","0.0381","","","0.1076","0.133","","","","","","1.152","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215950","14.8098","0.0005","6.6905","0.0002","15.8509","0.0006","90","","94.469","0.002","90","","1565.81","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Theophylline, 2,6-Dihydroxybenzoic acid salt hydrate","","- C14 H16 N4 O7 -","- C14 H16 N4 O7 -","- C56 H64 N16 O28 -","4","1","","Sarma, Bipul; Saikia, Basanta","Hydrogen bond synthon competition in the stabilization of theophylline cocrystals","CrystEngComm","2014","16","22","4753","","10.1039/c3ce42332h","","","0.71073","MoKα","","0.1017","0.0575","","","0.167","0.2069","","","","","","1.046","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215951","7.3213","0.0002","8.0238","0.0002","12.6902","0.0002","81.646","0.001","85.601","0.001","82.156","0.001","729.44","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Theophylline, 3,5-Dihydroxybenzoic acid cocrystal","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C28 H28 N8 O12 -","2","1","","Sarma, Bipul; Saikia, Basanta","Hydrogen bond synthon competition in the stabilization of theophylline cocrystals","CrystEngComm","2014","16","22","4753","","10.1039/c3ce42332h","","","0.71073","MoKα","","0.0688","0.0486","","","0.1381","0.1646","","","","","","1.073","","","","has coordinates","301864","2025-08-22","15:14:34",""
"7215952","8.094","0.0005","8.5956","0.0005","11.5891","0.0005","103.168","0.003","105.023","0.005","105.32","0.004","712.05","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Theophylline 3,4-Dihydroxybenzoic acid cocrystal","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C28 H28 N8 O12 -","2","1","","Sarma, Bipul; Saikia, Basanta","Hydrogen bond synthon competition in the stabilization of theophylline cocrystals","CrystEngComm","2014","16","22","4753","","10.1039/c3ce42332h","","","0.71073","MoKα","","0.14","0.0753","","","0.2037","0.2776","","","","","","1.082","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7215953","7.2792","0.0007","8.7135","0.0009","24.272","0.002","90","","96.128","0.004","90","","1530.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Theophylline Cinnamic acid cocrystal","","- C16 H16 N4 O4 -","- C16 H16 N4 O4 -","- C64 H64 N16 O16 -","4","1","","Sarma, Bipul; Saikia, Basanta","Hydrogen bond synthon competition in the stabilization of theophylline cocrystals","CrystEngComm","2014","16","22","4753","","10.1039/c3ce42332h","","","0.71073","MoKα","","0.1228","0.0777","","","0.2043","0.2414","","","","","","0.996","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7215954","8.5707","0.0011","9.8985","0.0012","14.2812","0.0017","104.986","0.005","102.291","0.005","91.286","0.005","1139.7","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 N4 O9 Zn2 -","- C16 H16 N4 O9 Zn2 -","- C32 H32 N8 O18 Zn4 -","2","1","","Bhattacharya, Biswajit; Saha, Debraj; Maity, Dilip Kumar; Dey, Rajdip; Ghoshal, Debajyoti","Syntheses, X-ray structures, gas adsorption and luminescent properties of three coordination polymers of Zn(ii) dicarboxylates mixed with a linear, neutral, and rigid N,N′-donor ligand","CrystEngComm","2014","16","22","4783","","10.1039/c3ce42441c","","","0.71073","MoKα","","0.0571","0.0484","","","0.1722","0.1803","","","","","","1.116","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215955","5.2333","0.0001","9.158","0.0003","14.8415","0.0004","84.191","0.001","85.964","0.002","79.848","0.001","695.57","0.03","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H12 N2 O6 Zn -","- C10 H12 N2 O6 Zn -","- C20 H24 N4 O12 Zn2 -","2","1","","Bhattacharya, Biswajit; Saha, Debraj; Maity, Dilip Kumar; Dey, Rajdip; Ghoshal, Debajyoti","Syntheses, X-ray structures, gas adsorption and luminescent properties of three coordination polymers of Zn(ii) dicarboxylates mixed with a linear, neutral, and rigid N,N′-donor ligand","CrystEngComm","2014","16","22","4783","","10.1039/c3ce42441c","","","0.71073","MoKα","","0.0435","0.0415","","","0.1361","0.1373","","","","","","1.22","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215956","10.9188","0.0004","11.5059","0.0004","13.0695","0.0004","109.415","0.002","95.197","0.002","97.024","0.002","1521.76","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 N8 O9 Zn2 -","- C28 H18 N8 O9 Zn2 -","- C56 H36 N16 O18 Zn4 -","2","1","","Bhattacharya, Biswajit; Saha, Debraj; Maity, Dilip Kumar; Dey, Rajdip; Ghoshal, Debajyoti","Syntheses, X-ray structures, gas adsorption and luminescent properties of three coordination polymers of Zn(ii) dicarboxylates mixed with a linear, neutral, and rigid N,N′-donor ligand","CrystEngComm","2014","16","22","4783","","10.1039/c3ce42441c","","","0.71073","MoKα","","0.0535","0.0433","","","0.1143","0.1209","","","","","","1.046","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215957","7.7589","0.001","9.2634","0.0012","17.83","0.002","90.403","0.008","90.275","0.009","97.322","0.009","1271","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Felodipine : 4,4'-bipyridine (1:1)","","- C28 H27 Cl2 N3 O4 -","- C28 H27 Cl2 N3 O4 -","- C56 H54 Cl4 N6 O8 -","2","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Polymorphism of felodipine co-crystals with 4,4′-bipyridine","CrystEngComm","2014","16","29","6603","","10.1039/c4ce00756e","","","0.71073","MoKα","","0.1542","0.0957","","","0.2379","0.2641","","","","","","1.131","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7215958","10.4207","0.0009","10.6061","0.0009","11.2328","0.0009","67.167","0.004","73.749","0.004","81.109","0.005","1097","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Felodipine : 4,4'-bipyridine (2:1)","","","- C46 H46 Cl4 N4 O8 -","- C46 H46 Cl4 N4 O8 -","- C46 H46 Cl4 N4 O8 -","1","0.5","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Polymorphism of felodipine co-crystals with 4,4′-bipyridine","CrystEngComm","2014","16","29","6603","","10.1039/c4ce00756e","","","0.71073","MoKα","","0.1065","0.0719","","","0.1928","0.2191","","","","","","1.059","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7215959","36.197","0.003","36.436","0.003","8.0228","0.0006","90","","90","","90","","10581.1","1.5","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Felodipine : 4,4'-bipyridine (1:1)","","- C28 H27 Cl2 N3 O4 -","- C28 H27 Cl2 N3 O4 -","- C448 H432 Cl32 N48 O64 -","16","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Polymorphism of felodipine co-crystals with 4,4′-bipyridine","CrystEngComm","2014","16","29","6603","","10.1039/c4ce00756e","","","0.71073","MoKα","","0.067","0.046","","","0.0992","0.1077","","","","","","1.049","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7215960","8.863","0.001","23.742","0.002","8.907","0.001","90","","116.86","0.01","90","","1672.1","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H48 Cl2 Mg N4 O8 -","- C22 H48 Cl2 Mg N4 O8 -","- C44 H96 Cl4 Mg2 N8 O16 -","2","1","","Grepioni, Fabrizia; Wouters, Johan; Braga, Dario; Nanna, Saverio; Fours, Baptiste; Coquerel, Gérard; Longfils, Geraldine; Rome, Sandrine; Aerts, Luc; Quéré, Luc","Ionic co-crystals of racetams: solid-state properties enhancement of neutral active pharmaceutical ingredients via addition of Mg2+ and Ca2+ chlorides","CrystEngComm","2014","16","26","5887","","10.1039/c4ce00409d","","","1.54178","CuKα","","0.0695","0.0528","","","0.1382","0.1503","","","","","","1.052","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215961","5.9825","0.0011","9.0582","0.0017","34.096","0.006","90","","90","","90","","1847.7","0.6","293","2","293","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H24 Ca Cl2 N2 O4 -","- C11 H24 Ca Cl2 N2 O4 -","- C44 H96 Ca4 Cl8 N8 O16 -","4","1","","Grepioni, Fabrizia; Wouters, Johan; Braga, Dario; Nanna, Saverio; Fours, Baptiste; Coquerel, Gérard; Longfils, Geraldine; Rome, Sandrine; Aerts, Luc; Quéré, Luc","Ionic co-crystals of racetams: solid-state properties enhancement of neutral active pharmaceutical ingredients via addition of Mg2+ and Ca2+ chlorides","CrystEngComm","2014","16","26","5887","","10.1039/c4ce00409d","","x-ray","0.71073","MoKα","","0.0443","0.0377","","","0.0861","0.0886","","","","","","1.092","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215962","8.85","0.002","8.85","0.002","34.827","0.005","90","","90","","120","","2362.3","0.8","293","2","293","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C20 H36 Cl2 F4 Mg N4 O8 -","- C20 H36 Cl2 F4 Mg N4 O8 -","- C60 H108 Cl6 F12 Mg3 N12 O24 -","3","0.5","","Grepioni, Fabrizia; Wouters, Johan; Braga, Dario; Nanna, Saverio; Fours, Baptiste; Coquerel, Gérard; Longfils, Geraldine; Rome, Sandrine; Aerts, Luc; Quéré, Luc","Ionic co-crystals of racetams: solid-state properties enhancement of neutral active pharmaceutical ingredients via addition of Mg2+ and Ca2+ chlorides","CrystEngComm","2014","16","26","5887","","10.1039/c4ce00409d","","","1.54178","CuKα","","0.0827","0.0498","","","0.1276","0.147","","","","","","1.046","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215963","5.9482","0.0008","9.0116","0.0008","17.114","0.002","90","","99.35","0.012","90","","905.17","0.18","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","co-crystals","","","- C10 H18 Ca Cl2 F2 N2 O4 -","- C10 H18 Ca Cl2 F2 N2 O4 -","- C20 H36 Ca2 Cl4 F4 N4 O8 -","2","1","","Grepioni, Fabrizia; Wouters, Johan; Braga, Dario; Nanna, Saverio; Fours, Baptiste; Coquerel, Gérard; Longfils, Geraldine; Rome, Sandrine; Aerts, Luc; Quéré, Luc","Ionic co-crystals of racetams: solid-state properties enhancement of neutral active pharmaceutical ingredients via addition of Mg2+ and Ca2+ chlorides","CrystEngComm","2014","16","26","5887","","10.1039/c4ce00409d","","","0.71073","MoKα","","0.1012","0.0795","","","0.1603","0.1704","","","","","","1.124","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215964","11.0697","0.0006","22.2083","0.0011","19.5333","0.0011","90","","90","","90","","4802.1","0.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C41 H45 N11 O13 Zn2 -","- C41 H45 N11 O13 Zn2 -","- C164 H180 N44 O52 Zn8 -","4","1","","Nagaraja, C. M.; Ugale, Bharat; Chanthapally, Anjana","Construction of 2D interwoven and 3D interpenetrated metal‒organic frameworks of Zn(ii) by varying N,N′-donor spacers","CrystEngComm","2014","16","22","4805","","10.1039/c3ce42454e","","","0.71073","MoKα","","0.0956","0.0661","","","0.1738","0.1906","","","","","","1.063","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215965","22.219","0.0013","5.5243","0.0003","18.4719","0.001","90","","115.962","0.002","90","","2038.5","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 N2 O8 Zn -","- C18 H22 N2 O8 Zn -","- C72 H88 N8 O32 Zn4 -","4","0.5","","Nagaraja, C. M.; Ugale, Bharat; Chanthapally, Anjana","Construction of 2D interwoven and 3D interpenetrated metal‒organic frameworks of Zn(ii) by varying N,N′-donor spacers","CrystEngComm","2014","16","22","4805","","10.1039/c3ce42454e","","","0.71073","MoKα","","0.0231","0.0225","","","0.0576","0.0581","","","","","","1.07","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215966","16","0.005","5.452","0.005","22.025","0.005","90","0.005","107.704","0.005","90","0.005","1830.3","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 N4 O4 Zn -","- C20 H18 N4 O4 Zn -","- C80 H72 N16 O16 Zn4 -","4","0.5","","Nagaraja, C. M.; Ugale, Bharat; Chanthapally, Anjana","Construction of 2D interwoven and 3D interpenetrated metal‒organic frameworks of Zn(ii) by varying N,N′-donor spacers","CrystEngComm","2014","16","22","4805","","10.1039/c3ce42454e","","","0.71073","MoKα","","0.023","0.0227","","","0.06","0.0602","","","","","","1.089","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215967","10.7575","0.0004","15.318","0.0006","29.3906","0.0013","81.112","0.001","87.711","0.001","84.536","0.001","4761.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H86 N20 O18 Zn4 -","- C94 H86 N20 O18 Zn4 -","- C188 H172 N40 O36 Zn8 -","2","1","","Nagaraja, C. M.; Ugale, Bharat; Chanthapally, Anjana","Construction of 2D interwoven and 3D interpenetrated metal‒organic frameworks of Zn(ii) by varying N,N′-donor spacers","CrystEngComm","2014","16","22","4805","","10.1039/c3ce42454e","","","0.71073","MoKα","","0.1001","0.0525","","","0.1147","0.1337","","","","","","1.064","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215968","8.5561","0.0017","8.656","0.0018","24.424","0.005","93.654","0.003","95.997","0.003","91.067","0.004","1794.7","0.6","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C74 H88 Cd2 N12 O10 -","- C74 H84 Cd2 N12 O10 -","- C74 H84 Cd2 N12 O10 -","1","1","","Ahmad, Musheer; Katoch, Rajesh; Garg, Ashish; Bharadwaj, Parimal K.","A novel 3D 10-fold interpenetrated homochiral coordination polymer: large spontaneous polarization, dielectric loss and emission studies","CrystEngComm","2014","16","22","4766","","10.1039/c3ce42628a","","","0.71073","MoKα","","0.0762","0.0614","","","0.1382","0.1495","","","","","","1.024","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215969","15.0954","0.0006","11.5689","0.0004","10.6232","0.0004","90","","110.192","0.004","90","","1741.19","0.12","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 Co2 N2 O8 P2 -","- C12 H26 Co2 N2 O8 P2 -","- C48 H104 Co8 N8 O32 P8 -","4","1","","Patzschke, Christin; Forsyth, Craig M.; Batten, Stuart R.; Chaffee, Alan L.","Formation of a non-porous cobalt-phosphonate framework by small pH change in the preparation of the microporous STA-16(Co)","CrystEngComm","2014","16","28","6296","","10.1039/c4ce00509k","","","0.71073","MoKα","","0.0405","0.0356","","","0.0853","0.0892","","","","","","1.037","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215970","12.9496","0.0016","12.9821","0.0016","20.789","0.003","84.935","0.002","82.643","0.002","77.463","0.001","3376.9","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C116 H178 Co N4 O38 S12 -","- C116 H178 Co N4 O38 S12 -","- C116 H178 Co N4 O38 S12 -","1","0.5","","Drachnik, Amanda M.; Kumari, Harshita; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L.","Encapsulation of manganese and cobalt complexes within resorcin[4]arene dimers","CrystEngComm","2014","16","31","7172","","10.1039/C4CE00556B","","","0.71073","MoKα","","0.1398","0.0982","","","0.2317","0.2735","","","","","","1.044","","","","has coordinates,has disorder","301864","2025-08-22","15:14:35",""
"7215971","12.3562","0.0003","12.5049","0.0003","19.3386","0.0004","89.472","0.001","80.7","0.001","79.3","0.001","2896.85","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H156 Co N2 O32 S10 -","- C100 H156 Co N2 O32 S10 -","- C100 H156 Co N2 O32 S10 -","1","0.5","","Drachnik, Amanda M.; Kumari, Harshita; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L.","Encapsulation of manganese and cobalt complexes within resorcin[4]arene dimers","CrystEngComm","2014","16","31","7172","","10.1039/C4CE00556B","","","1.54178","CuKα","","0.0626","0.0584","","","0.1619","0.1659","","","","","","1.078","","","","has coordinates,has disorder","180490","2020-10-21","18:00:00",""
"7215972","12.3466","0.0017","12.604","0.0017","18.908","0.003","89.008","0.002","81.577","0.002","78.725","0.002","2854.3","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H156 Mn N2 O32 S10 -","- C100 H156 Mn N2 O32 S10 -","- C100 H156 Mn N2 O32 S10 -","1","0.5","","Drachnik, Amanda M.; Kumari, Harshita; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L.","Encapsulation of manganese and cobalt complexes within resorcin[4]arene dimers","CrystEngComm","2014","16","31","7172","","10.1039/C4CE00556B","","","0.71073","MoKα","","0.1416","0.0674","","","0.1544","0.1929","","","","","","0.98","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7215973","8.8478","0.0004","13.3523","0.0006","14.1584","0.0006","67.987","0.001","77.114","0.001","74.612","0.001","1480.77","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Succinylsulfathiazole plymorph I","","","- C13 H13 N3 O5 S2 -","- C13 H13 N3 O5 S2 -","- C52 H52 N12 O20 S8 -","4","2","","Bag, Partha Pratim; Kothur, Raghuram Reddy; Malla Reddy, C.","Tautomeric preference in polymorphs and pseudopolymorphs of succinylsulfathiazole: fast evaporation screening and thermal studies","CrystEngComm","2014","16","22","4706","","10.1039/c3ce42159g","","","0.71073","MoKα","","0.0399","0.0344","","","0.1132","0.1223","","","","","","0.873","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7215974","11.351","0.003","8.577","0.002","16.684","0.003","90","","107.483","0.005","90","","1549.3","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Succinylsulfathiazole plymorph II","","","- C13 H13 N3 O5 S2 -","- C13 H13 N3 O5 S2 -","- C52 H52 N12 O20 S8 -","4","1","","Bag, Partha Pratim; Kothur, Raghuram Reddy; Malla Reddy, C.","Tautomeric preference in polymorphs and pseudopolymorphs of succinylsulfathiazole: fast evaporation screening and thermal studies","CrystEngComm","2014","16","22","4706","","10.1039/c3ce42159g","","","0.71073","MoKα","","0.0798","0.0428","","","0.117","0.1495","","","","","","0.895","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7215975","16.19","0.006","5.146","0.0014","19.449","0.007","90","","94.028","0.017","90","","1616.4","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Succinylsulfathiazole mono hydrate","","","- C13 H15 N3 O6 S2 -","- C13 H15 N3 O6 S2 -","- C52 H60 N12 O24 S8 -","4","1","","Bag, Partha Pratim; Kothur, Raghuram Reddy; Malla Reddy, C.","Tautomeric preference in polymorphs and pseudopolymorphs of succinylsulfathiazole: fast evaporation screening and thermal studies","CrystEngComm","2014","16","22","4706","","10.1039/c3ce42159g","","","0.71073","MoKα","","0.0503","0.0391","","","0.1016","0.1123","","","","","","1.018","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7215976","8.5229","0.0004","14.5887","0.0007","15.2327","0.0007","64.777","0.001","78.161","0.001","82.086","0.001","1674.27","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Succinylsulfathiazole acetone solvate","","","- C29 H32 N6 O11 S4 -","- C29 H32 N6 O11 S4 -","- C58 H64 N12 O22 S8 -","2","1","","Bag, Partha Pratim; Kothur, Raghuram Reddy; Malla Reddy, C.","Tautomeric preference in polymorphs and pseudopolymorphs of succinylsulfathiazole: fast evaporation screening and thermal studies","CrystEngComm","2014","16","22","4706","","10.1039/c3ce42159g","","","0.71073","MoKα","","0.0781","0.0718","","","0.1465","0.151","","","","","","1.044","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7215977","8.7032","0.0002","14.5604","0.0005","15.5676","0.0005","64.602","0.002","77.24","0.002","83.635","0.002","1737.79","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Succinylsulfathiazole tetrahydrofuran solvate","","","- C30 H34 N6 O11 S4 -","- C30 H34 N6 O11 S4 -","- C60 H68 N12 O22 S8 -","2","1","","Bag, Partha Pratim; Kothur, Raghuram Reddy; Malla Reddy, C.","Tautomeric preference in polymorphs and pseudopolymorphs of succinylsulfathiazole: fast evaporation screening and thermal studies","CrystEngComm","2014","16","22","4706","","10.1039/c3ce42159g","","","0.71073","MoKα","","0.0753","0.044","","","0.125","0.1522","","","","","","0.882","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7215979","31.788","0.002","18.353","0.002","34.619","0.004","90","","107.82","","90","","19228","3","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","Compound 1a","","","- C179 H165 Cl6 N33 O22 -","- C179 H141 Cl6 N33 O22 -","- C716 H564 Cl24 N132 O88 -","4","1","","Chaudhari, Abhijeet K.; Sharma, Amitosh; Mukherjee, Soumya; Joarder, Biplab; Ghosh, Sujit K.","Capsule voided nanospace confinement in a π-stacked supramolecular organic solid","CrystEngComm","2014","16","22","4691","","10.1039/c3ce42509f","","","0.71073","MoKα","","0.2711","0.1279","","","0.3014","0.3864","","","","","","0.998","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215980","15.93","0.006","13.588","0.005","6.663","0.002","90","","97.392","0.005","90","","1430.3","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 N O11 Pr -","- C9 H15 N O11 Pr -","- C36 H60 N4 O44 Pr4 -","4","1","","Liu, Yi-Ting; Du, Yuan-Qi; Wu, Xiao; Zheng, Zhi-Peng; Lin, Xiao-Ming; Zhu, Li-Cai; Cai, Yue-Peng","A series of lanthanide complexes based on pyridine-3,5-dicarboxylate and succinate ligands: syntheses, structures and properties","CrystEngComm","2014","16","29","6797","","10.1039/c4ce00417e","","","0.71073","MoKα","","0.064","0.0504","","","0.1322","0.1435","","","","","","1.062","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215981","15.9131","0.0014","13.5396","0.0011","6.6475","0.0006","90","","97.662","0.001","90","","1419.5","0.2","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 Eu N O11 -","- C9 H15 Eu N O11 -","- C36 H60 Eu4 N4 O44 -","4","1","","Liu, Yi-Ting; Du, Yuan-Qi; Wu, Xiao; Zheng, Zhi-Peng; Lin, Xiao-Ming; Zhu, Li-Cai; Cai, Yue-Peng","A series of lanthanide complexes based on pyridine-3,5-dicarboxylate and succinate ligands: syntheses, structures and properties","CrystEngComm","2014","16","29","6797","","10.1039/c4ce00417e","","","0.71073","MoKα","","0.0387","0.031","","","0.0764","0.0812","","","","","","1.021","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215982","15.8734","0.0012","13.4525","0.001","6.6309","0.0005","90","","97.862","0.001","90","","1402.63","0.18","296","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 N O11 Tb -","- C9 H15 N O11 Tb -","- C36 H60 N4 O44 Tb4 -","4","1","","Liu, Yi-Ting; Du, Yuan-Qi; Wu, Xiao; Zheng, Zhi-Peng; Lin, Xiao-Ming; Zhu, Li-Cai; Cai, Yue-Peng","A series of lanthanide complexes based on pyridine-3,5-dicarboxylate and succinate ligands: syntheses, structures and properties","CrystEngComm","2014","16","29","6797","","10.1039/c4ce00417e","","","0.71073","MoKα","","0.0239","0.0227","","","0.0618","0.0626","","","","","","1.052","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215983","15.8585","0.0014","13.419","0.0011","6.6158","0.0006","90","","97.925","0.001","90","","1394.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 Er N O11 -","- C9 H15 Er N O11 -","- C36 H60 Er4 N4 O44 -","4","1","","Liu, Yi-Ting; Du, Yuan-Qi; Wu, Xiao; Zheng, Zhi-Peng; Lin, Xiao-Ming; Zhu, Li-Cai; Cai, Yue-Peng","A series of lanthanide complexes based on pyridine-3,5-dicarboxylate and succinate ligands: syntheses, structures and properties","CrystEngComm","2014","16","29","6797","","10.1039/c4ce00417e","","","0.71073","MoKα","","0.0462","0.0374","","","0.1002","0.1085","","","","","","1.0237","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215984","5.3448","0.0006","8.9517","0.001","15.6623","0.0018","104.912","0.001","93.036","0.001","97.157","0.001","715.65","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H13 N O10 Yb -","- C9 H13 N O10 Yb -","- C18 H26 N2 O20 Yb2 -","2","1","","Liu, Yi-Ting; Du, Yuan-Qi; Wu, Xiao; Zheng, Zhi-Peng; Lin, Xiao-Ming; Zhu, Li-Cai; Cai, Yue-Peng","A series of lanthanide complexes based on pyridine-3,5-dicarboxylate and succinate ligands: syntheses, structures and properties","CrystEngComm","2014","16","29","6797","","10.1039/c4ce00417e","","","0.71073","MoKα","","0.0261","0.0245","","","0.0607","0.0616","","","","","","1.068","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215985","5.34","0.0008","8.953","0.0014","15.655","0.002","104.76","0.002","93.015","0.002","97.273","0.002","715.11","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H13 Lu N O10 -","- C9 H13 Lu N O10 -","- C18 H26 Lu2 N2 O20 -","2","1","","Liu, Yi-Ting; Du, Yuan-Qi; Wu, Xiao; Zheng, Zhi-Peng; Lin, Xiao-Ming; Zhu, Li-Cai; Cai, Yue-Peng","A series of lanthanide complexes based on pyridine-3,5-dicarboxylate and succinate ligands: syntheses, structures and properties","CrystEngComm","2014","16","29","6797","","10.1039/c4ce00417e","","","0.71073","MoKα","","0.0284","0.0271","","","0.0775","0.0783","","","","","","1.056","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215986","8.1481","0.0003","10.7263","0.0003","13.4085","0.0004","86.933","0.002","84.68","0.003","81.508","0.003","1153.1","0.06","120","","120","","","","","","","","see text","4","P -1","-P 1","2","","","","- C27 H30 N2 O2 -","- C27 H30 N2 O2 -","- C54 H60 N4 O4 -","2","1","","Ahipa, T. N.; Kumar, Vijith; Shankar Rao, D. S.; Prasad, Subbarao Krishna; Adhikari, Airody Vasudeva","New 4-(2-(4-alkoxyphenyl)-6-methoxypyridin-4-yl)benzonitriles: synthesis, liquid crystalline behavior and photo physical properties","CrystEngComm","2014","16","25","5573","","10.1039/c4ce00128a","","x-ray","0.71073","MoKα","","0.0523","0.0416","","","0.1026","0.1094","","","","","","1.059","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7215987","8.978","0.003","10.677","0.003","10.877","0.003","99.677","0.009","95.437","0.009","103.089","0.008","991.5","0.5","296","2","296","2","","","","","","","see text","4","P -1","-P 1","2","","","","- C23 H22 N2 O2 -","- C23 H22 N2 O2 -","- C46 H44 N4 O4 -","2","1","","Ahipa, T. N.; Kumar, Vijith; Shankar Rao, D. S.; Prasad, Subbarao Krishna; Adhikari, Airody Vasudeva","New 4-(2-(4-alkoxyphenyl)-6-methoxypyridin-4-yl)benzonitriles: synthesis, liquid crystalline behavior and photo physical properties","CrystEngComm","2014","16","25","5573","","10.1039/c4ce00128a","","x-ray","0.71073","MoKα","","0.1079","0.0537","","","0.1352","0.159","","","","","","0.994","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216001","9.4258","0.0019","10.052","0.002","15.309","0.003","97.47","0.03","105.32","0.03","103.94","0.03","1328.4","0.6","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 N2 O4 Zn -","- C32 H28 N2 O4 Zn -","- C64 H56 N4 O8 Zn2 -","2","1","","Ge, Yu; Li, Ni-Ya; Ji, Xue-Ying; Wang, Jun-Feng; Liu, Dong; Tang, Xiao-Yan","Assembly of a series of zinc coordination polymers based on 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and 1,3-benzenedicarboxylate derivatives","CrystEngComm","2014","16","29","6621","","10.1039/c4ce00696h","","","0.71073","MoKα","","0.0438","0.0395","","","0.1114","0.1154","","","","","","1.069","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216002","9.907","0.002","10.421","0.002","16.142","0.003","81.18","0.03","75.18","0.03","81.78","0.03","1582.6","0.6","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H57 Cl2 N5 O8 Zn2 -","- C66 H57 Cl2 N5 O8 Zn2 -","- C66 H57 Cl2 N5 O8 Zn2 -","1","0.5","","Ge, Yu; Li, Ni-Ya; Ji, Xue-Ying; Wang, Jun-Feng; Liu, Dong; Tang, Xiao-Yan","Assembly of a series of zinc coordination polymers based on 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and 1,3-benzenedicarboxylate derivatives","CrystEngComm","2014","16","29","6621","","10.1039/c4ce00696h","","","0.71073","MoKα","","0.067","0.0513","","","0.1301","0.141","","","","","","1.037","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216003","10.791","0.002","17.717","0.003","9.7094","0.0019","90","","92.49","0.03","90","","1854.5","0.6","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N2 O6 Zn -","- C20 H15 N2 O6 Zn -","- C80 H60 N8 O24 Zn4 -","4","1","","Ge, Yu; Li, Ni-Ya; Ji, Xue-Ying; Wang, Jun-Feng; Liu, Dong; Tang, Xiao-Yan","Assembly of a series of zinc coordination polymers based on 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and 1,3-benzenedicarboxylate derivatives","CrystEngComm","2014","16","29","6621","","10.1039/c4ce00696h","","","0.71073","MoKα","","0.0646","0.057","","","0.1657","0.1741","","","","","","1.077","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216004","16.096","0.003","7.6958","0.0015","16.148","0.003","90","","99.06","0.03","90","","1975.3","0.7","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N2 O6 Zn -","- C20 H21 N2 O6 Zn -","- C80 H84 N8 O24 Zn4 -","4","1","","Ge, Yu; Li, Ni-Ya; Ji, Xue-Ying; Wang, Jun-Feng; Liu, Dong; Tang, Xiao-Yan","Assembly of a series of zinc coordination polymers based on 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and 1,3-benzenedicarboxylate derivatives","CrystEngComm","2014","16","29","6621","","10.1039/c4ce00696h","","","0.71073","MoKα","","0.0915","0.0791","","","0.227","0.2498","","","","","","1.038","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216005","18.621","0.004","9.7191","0.0019","17.267","0.004","90","","98.76","0.03","90","","3088.5","1.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H28 N2 O7 Zn2 -","- C33 H28 N2 O7 Zn2 -","- C132 H112 N8 O28 Zn8 -","4","1","","Ge, Yu; Li, Ni-Ya; Ji, Xue-Ying; Wang, Jun-Feng; Liu, Dong; Tang, Xiao-Yan","Assembly of a series of zinc coordination polymers based on 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and 1,3-benzenedicarboxylate derivatives","CrystEngComm","2014","16","29","6621","","10.1039/c4ce00696h","","","0.71073","MoKα","","0.1085","0.0792","","","0.21","0.2447","","","","","","0.991","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216039","12.6883","0.0011","37.728","0.003","29.351","0.003","90","","90.03","0.001","90","","14050","2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C152 H114 N42 Ni4 O8 -","- C152 H114 N42 Ni4 O8 -","- C608 H456 N168 Ni16 O32 -","4","1","","Mendiratta, Shruti; Usman, Muhammad; Luo, Tzuoo-Tsair; Lee, Shang-Fan; Lin, Ying-Chih; Lu, Kuang-Lieh","Guest dependent dielectric properties of nickel(ii)-based supramolecular networks","CrystEngComm","2014","16","28","6309","","10.1039/c4ce00218k","","","0.71073","MoKα","","0.1339","0.0752","","","0.1759","0.2003","","","","","","1.037","","","","has coordinates,has disorder","301864","2025-08-22","15:14:35",""
"7216040","12.2568","0.0002","15.712","0.0003","20.7876","0.0004","90","","90","","90","","4003.25","0.13","200","2","200","2","","","","","","","","6","P n a b","-P 2bc 2n","60","","","","- C42 H34 Cl2 N12 Ni O2 -","- C42 H34 Cl2 N12 Ni O2 -","- C168 H136 Cl8 N48 Ni4 O8 -","4","0.5","","Mendiratta, Shruti; Usman, Muhammad; Luo, Tzuoo-Tsair; Lee, Shang-Fan; Lin, Ying-Chih; Lu, Kuang-Lieh","Guest dependent dielectric properties of nickel(ii)-based supramolecular networks","CrystEngComm","2014","16","28","6309","","10.1039/c4ce00218k","","","0.71073","MoKα","","0.0548","0.0422","","","0.1205","0.1306","","","","","","1.134","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216041","18.825","0.004","8.3912","0.0016","9.2901","0.0018","90","","94.064","0.003","90","","1463.8","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H18 Mn O10 P2 -","- C8 H14 Mn O10 P2 -","- C32 H56 Mn4 O40 P8 -","4","0.5","","Tang, Si-Fu; Li, Liang-Jun; Lv, Xiao-Xia; Wang, Chao; Zhao, Xue-Bo","Tuning the structure of metal phosphonates using uncoordinating methyl group: syntheses, structures and properties of a series of metal diphosphonates","CrystEngComm","2014","16","30","7043","","10.1039/C4CE00375F","","","0.71073","MoKα","","0.0385","0.0355","","","0.0941","0.0963","","","","","","1.093","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216042","6.8159","0.0018","9.734","0.003","13.799","0.004","96.523","0.004","95.78","0.004","91.06","0.004","904.5","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H26 Co O14 P2 -","- C8 H26 Co O14 P2 -","- C16 H52 Co2 O28 P4 -","2","1","","Tang, Si-Fu; Li, Liang-Jun; Lv, Xiao-Xia; Wang, Chao; Zhao, Xue-Bo","Tuning the structure of metal phosphonates using uncoordinating methyl group: syntheses, structures and properties of a series of metal diphosphonates","CrystEngComm","2014","16","30","7043","","10.1039/C4CE00375F","","","0.71073","MoKα","","0.0592","0.0456","","","0.1124","0.1208","","","","","","1.041","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216043","12.363","0.002","7.8134","0.0013","15.311","0.003","90","","93.942","0.004","90","","1475.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H38 Co O20 P4 -","- C16 H34 Co O20 P4 -","- C32 H68 Co2 O40 P8 -","2","0.5","","Tang, Si-Fu; Li, Liang-Jun; Lv, Xiao-Xia; Wang, Chao; Zhao, Xue-Bo","Tuning the structure of metal phosphonates using uncoordinating methyl group: syntheses, structures and properties of a series of metal diphosphonates","CrystEngComm","2014","16","30","7043","","10.1039/C4CE00375F","","","0.71073","MoKα","","0.1145","0.0592","","","0.1266","0.1552","","","","","","1.014","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216044","6.7912","0.0011","9.6878","0.0016","13.786","0.002","96.736","0.002","95.816","0.005","91.082","0.005","895.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H26 Ni O14 P2 -","- C8 H26 Ni O14 P2 -","- C16 H52 Ni2 O28 P4 -","2","1","","Tang, Si-Fu; Li, Liang-Jun; Lv, Xiao-Xia; Wang, Chao; Zhao, Xue-Bo","Tuning the structure of metal phosphonates using uncoordinating methyl group: syntheses, structures and properties of a series of metal diphosphonates","CrystEngComm","2014","16","30","7043","","10.1039/C4CE00375F","","","0.71073","MoKα","","0.0681","0.0444","","","0.0941","0.1016","","","","","","0.922","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216045","5.1671","0.001","6.3007","0.0012","10.029","0.003","75.102","0.005","84.496","0.01","76.61","0.003","306.72","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H14 Cu O8 P2 -","- C8 H14 Cu O8 P2 -","- C8 H14 Cu O8 P2 -","1","0.5","","Tang, Si-Fu; Li, Liang-Jun; Lv, Xiao-Xia; Wang, Chao; Zhao, Xue-Bo","Tuning the structure of metal phosphonates using uncoordinating methyl group: syntheses, structures and properties of a series of metal diphosphonates","CrystEngComm","2014","16","30","7043","","10.1039/C4CE00375F","","","0.71073","MoKα","","0.0471","0.0379","","","0.0937","0.0998","","","","","","1.072","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216046","12.3549","0.0013","7.8244","0.0008","15.3271","0.0016","90","","93.924","0.002","90","","1478.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H38 O20 P4 Zn -","- C16 H34 O20 P4 Zn -","- C32 H68 O40 P8 Zn2 -","2","0.5","","Tang, Si-Fu; Li, Liang-Jun; Lv, Xiao-Xia; Wang, Chao; Zhao, Xue-Bo","Tuning the structure of metal phosphonates using uncoordinating methyl group: syntheses, structures and properties of a series of metal diphosphonates","CrystEngComm","2014","16","30","7043","","10.1039/C4CE00375F","","","0.71073","MoKα","","0.0783","0.0454","","","0.1014","0.1153","","","","","","1.013","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216047","19.781","0.004","6.7881","0.0015","9.4449","0.0019","90","","90.463","0.003","90","","1268.2","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H14 Cd O8 P2 -","- C8 H14 Cd O8 P2 -","- C32 H56 Cd4 O32 P8 -","4","0.5","","Tang, Si-Fu; Li, Liang-Jun; Lv, Xiao-Xia; Wang, Chao; Zhao, Xue-Bo","Tuning the structure of metal phosphonates using uncoordinating methyl group: syntheses, structures and properties of a series of metal diphosphonates","CrystEngComm","2014","16","30","7043","","10.1039/C4CE00375F","","","0.71073","MoKα","","0.0365","0.0331","","","0.0824","0.0849","","","","","","1.075","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216048","7.6143","0.0012","22.461","0.004","7.7097","0.0012","90","","90","","90","","1318.5","0.4","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H14 O8 P2 Zn -","- C8 H14 O8 P2 Zn -","- C32 H56 O32 P8 Zn4 -","4","0.5","","Tang, Si-Fu; Li, Liang-Jun; Lv, Xiao-Xia; Wang, Chao; Zhao, Xue-Bo","Tuning the structure of metal phosphonates using uncoordinating methyl group: syntheses, structures and properties of a series of metal diphosphonates","CrystEngComm","2014","16","30","7043","","10.1039/C4CE00375F","","","0.71073","MoKα","","0.0367","0.0322","","","0.0925","0.0953","","","","","","1.089","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216049","5.7837","0.0003","6.0328","0.0003","12.3406","0.0006","90","","90","","90","","430.59","0.04","293.1","","293.1","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kimura, Fumiko; Oshima, Wataru; Matsumoto, Hiroko; Uekusa, Hidehiro; Aburaya, Kazuaki; Maeyama, Masataka; Kimura, Tsunehisa","Single crystal structure analysis via magnetically oriented microcrystal arrays","CrystEngComm","2014","16","29","6630","","10.1039/c4ce00839a","","","1.54187","CuKα","","","0.0662","","","","0.1718","","","","","","1.018","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216050","5.0868","0.0003","13.0628","0.0008","10.9758","0.0007","90","","90.99","0.007","90","","729.21","0.08","296","","296","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H22 O11 -","- C12 H22 O11 -","- C24 H44 O22 -","2","1","","Kimura, Fumiko; Oshima, Wataru; Matsumoto, Hiroko; Uekusa, Hidehiro; Aburaya, Kazuaki; Maeyama, Masataka; Kimura, Tsunehisa","Single crystal structure analysis via magnetically oriented microcrystal arrays","CrystEngComm","2014","16","29","6630","","10.1039/c4ce00839a","","","1.54187","CuKα","","","0.1062","","","","0.3323","","","","","","1.143","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216051","7.5958","0.0002","19.748","0.0014","11.251","0.0003","90","","90","","90","","1687.67","0.14","296","","296","","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C24 H18 -","- C24 H18 -","- C96 H72 -","4","1","","Kimura, Fumiko; Oshima, Wataru; Matsumoto, Hiroko; Uekusa, Hidehiro; Aburaya, Kazuaki; Maeyama, Masataka; Kimura, Tsunehisa","Single crystal structure analysis via magnetically oriented microcrystal arrays","CrystEngComm","2014","16","29","6630","","10.1039/c4ce00839a","","","1.54187","CuKα","","","0.0993","","","","0.3082","","","","","","1.031","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216052","6.7745","0.0011","6.8452","0.0016","21.531","0.004","88.152","0.016","82.974","0.012","60.518","0.009","862.2","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- B11 Ba2 H7 O22 -","- B11 Ba2 H7 O22 -","- B22 Ba4 H14 O44 -","2","1","","Deng, Ting-Ting; Gao, Yan-E; Zhang, Li-Xia; Gu, Xiang-Yu; Tian, Han-Rui; Liu, Yi; Feng, Yun-Long; Cheng, Jian-Wen","Incorporating [GaB4O11(OH)]8− clusters to construct luminescent galloborate with open-framework layers","CrystEngComm","2014","16","25","5689","","10.1039/c4ce00485j","","","0.71073","MoKα","","0.0364","0.0261","","","0.0554","0.0604","","","","","","1.025","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216053","7.108","0.0014","7.1372","0.0012","9.878","0.003","106.885","0.017","91.569","0.017","119.185","0.011","409.99","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- B4 Ba Ga H3 O10 -","- B4 Ba Ga H3 O10 -","- B8 Ba2 Ga2 H6 O20 -","2","1","","Deng, Ting-Ting; Gao, Yan-E; Zhang, Li-Xia; Gu, Xiang-Yu; Tian, Han-Rui; Liu, Yi; Feng, Yun-Long; Cheng, Jian-Wen","Incorporating [GaB4O11(OH)]8− clusters to construct luminescent galloborate with open-framework layers","CrystEngComm","2014","16","25","5689","","10.1039/c4ce00485j","","","0.71073","MoKα","","0.0479","0.0324","","","0.0651","0.0866","","","","","","1.154","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216121","8.362","0.002","9.211","0.003","14.892","0.004","100.999","0.019","94.355","0.017","97.503","0.017","1110.3","0.5","270","2","270","2","","","","","","","","5","P -1","-P 1","2","[Ni(bpta)(CH3COO)2(H2O)].H2O","","","- C20 H31 N3 Ni O6 -","- C20 H31 N3 Ni O6 -","- C40 H62 N6 Ni2 O12 -","2","1","","Khullar, Sadhika; Gupta, Vijay; Mandal, Sanjay K.","Tuning the formation of dicarboxylate linker-assisted supramolecular 1D chains and squares of Ni(ii) using coordination and hydrogen bonds","CrystEngComm","2014","16","25","5705","","10.1039/c4ce00434e","","","0.71073","","","0.0601","0.04","","","0.0933","0.1031","","","","","","0.974","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216122","13.9083","0.0006","17.7966","0.0007","18.4094","0.0008","90","","90","","90","","4556.7","0.3","140","2","140","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Ni(bpta)(H2O)2(adc)].2H2O","","","- C20 H29 N3 Ni O8 -","- C20 H29 N3 Ni O8 -","- C160 H232 N24 Ni8 O64 -","8","1","","Khullar, Sadhika; Gupta, Vijay; Mandal, Sanjay K.","Tuning the formation of dicarboxylate linker-assisted supramolecular 1D chains and squares of Ni(ii) using coordination and hydrogen bonds","CrystEngComm","2014","16","25","5705","","10.1039/c4ce00434e","","","0.71073","MoKα","","0.065","0.0374","","","0.0777","0.088","","","","","","1.013","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216123","9.1706","0.0009","14.658","0.0012","16.5447","0.0016","75.264","0.005","83.445","0.006","87.664","0.006","2136.6","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","[Ni4(bpta)4(fumarate)4(H2O)4].4H2O","","","- C80 H108 N12 Ni4 O24 -","- C80 H108 N12 Ni4 O24 -","- C80 H108 N12 Ni4 O24 -","1","0.5","","Khullar, Sadhika; Gupta, Vijay; Mandal, Sanjay K.","Tuning the formation of dicarboxylate linker-assisted supramolecular 1D chains and squares of Ni(ii) using coordination and hydrogen bonds","CrystEngComm","2014","16","25","5705","","10.1039/c4ce00434e","","","0.71073","MoKα","","0.0955","0.0452","","","0.0863","0.1123","","","","","","0.897","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216124","14.593","0.0013","9.6778","0.0007","17.2357","0.0015","90","","90","","90","","2434.2","0.4","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","[Ni(bpta)(succinate)(H2O)2].3H2O","","","- C20 H35 N3 Ni O9 -","- C20 H35 N3 Ni O9 -","- C80 H140 N12 Ni4 O36 -","4","1","","Khullar, Sadhika; Gupta, Vijay; Mandal, Sanjay K.","Tuning the formation of dicarboxylate linker-assisted supramolecular 1D chains and squares of Ni(ii) using coordination and hydrogen bonds","CrystEngComm","2014","16","25","5705","","10.1039/c4ce00434e","","","0.71073","MoKa","","0.0467","0.0354","","","0.0684","0.0734","","","","","","0.968","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216130","18.429","0.0008","18.1729","0.0013","15.0366","0.0008","90","","90","","90","","5035.9","0.5","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","IDipp-C60","1,3-bis(diisopropylphenyl)imidazol-2-ylidene-C60 adduct","","- C87 H36 N2 -","- C87 H36 N2 -","- C348 H144 N8 -","4","0.5","","Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.","A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.","Physical chemistry chemical physics : PCCP","2014","16","25","12980","12986","10.1039/c4cp01036a","","","0.71073","MoKα","","0.0571","0.0409","","","0.0942","0.1006","","","","","","1.052","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216131","18.4633","0.0008","18.1906","0.0006","15.0501","0.0007","90","","90","","90","","5054.7","0.4","80","2","80","2","","","","","","","","3","P n m a","-P 2ac 2n","62","IDipp-C60","1,3-bis(diisopropylphenyl)imidazol-2-ylidene-C60 adduct","","- C87 H36 N2 -","- C87 H36 N2 -","- C348 H144 N8 -","4","0.5","","Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.","A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.","Physical chemistry chemical physics : PCCP","2014","16","25","12980","12986","10.1039/c4cp01036a","","","0.71073","MoKα","","0.0617","0.0439","","","0.1057","0.1169","","","","","","1.031","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216132","18.4939","0.0008","18.2041","0.0006","15.0446","0.0007","90","","90","","90","","5065","0.4","130","2","130","2","","","","","","","","3","P n m a","-P 2ac 2n","62","IDipp-C60","1,3-bis(diisopropylphenyl)imidazol-2-ylidene-C60 adduct","","- C87 H36 N2 -","- C87 H36 N2 -","- C348 H144 N8 -","4","0.5","","Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.","A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.","Physical chemistry chemical physics : PCCP","2014","16","25","12980","12986","10.1039/c4cp01036a","","","0.71073","MoKα","","0.0644","0.0432","","","0.1015","0.1141","","","","","","1.012","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216133","18.5461","0.0008","18.2325","0.0006","15.0393","0.0007","90","","90","","90","","5085.4","0.4","180","2","180","2","","","","","","","","3","P n m a","-P 2ac 2n","62","IDipp-C60","1,3-bis(diisopropylphenyl)imidazol-2-ylidene-C60 adduct","","- C87 H36 N2 -","- C87 H36 N2 -","- C348 H144 N8 -","4","0.5","","Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.","A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.","Physical chemistry chemical physics : PCCP","2014","16","25","12980","12986","10.1039/c4cp01036a","","","0.71073","MoKα","","0.067","0.0424","","","0.098","0.1117","","","","","","1.016","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216134","18.599","0.0007","18.265","0.0006","15.0367","0.0007","90","","90","","90","","5108.1","0.3","230","2","230","2","","","","","","","","3","P n m a","-P 2ac 2n","62","IDipp-C60","1,3-bis(diisopropylphenyl)imidazol-2-ylidene-C60 adduct","","- C87 H36 N2 -","- C87 H36 N2 -","- C348 H144 N8 -","4","0.5","","Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.","A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.","Physical chemistry chemical physics : PCCP","2014","16","25","12980","12986","10.1039/c4cp01036a","","","0.71073","MoKα","","0.0767","0.0424","","","0.0934","0.1105","","","","","","1.002","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216135","18.6446","0.0007","18.2957","0.0006","15.0193","0.0007","90","","90","","90","","5123.3","0.3","280","2","280","2","","","","","","","","3","P n m a","-P 2ac 2n","62","IDipp-C60","1,3-bis(diisopropylphenyl)imidazol-2-ylidene-C60 adduct","","- C87 H36 N2 -","- C87 H36 N2 -","- C348 H144 N8 -","4","0.5","","Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.","A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.","Physical chemistry chemical physics : PCCP","2014","16","25","12980","12986","10.1039/c4cp01036a","","","0.71073","MoKα","","0.0914","0.0489","","","0.1179","0.1397","","","","","","1.046","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216136","18.704","0.0015","18.303","0.0012","14.9839","0.0013","90","","90","","90","","5129.6","0.7","330","2","330","2","","","","","","","","3","P n m a","-P 2ac 2n","62","IDipp-C60","1,3-bis(diisopropylphenyl)imidazol-2-ylidene-C60 adduct","","- C87 H36 N2 -","- C87 H36 N2 -","- C348 H144 N8 -","4","0.5","","Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.","A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.","Physical chemistry chemical physics : PCCP","2014","16","25","12980","12986","10.1039/c4cp01036a","","","0.71073","MoKα","","0.1128","0.0639","","","0.1745","0.2097","","","","","","1.03","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216137","18.7596","0.0017","18.3558","0.0013","14.9944","0.0015","90","","90","","90","","5163.3","0.8","380","2","380","2","","","","","","","","3","P n m a","-P 2ac 2n","62","IDipp-C60","1,3-bis(diisopropylphenyl)imidazol-2-ylidene-C60 adduct","","- C87 H36 N2 -","- C87 H36 N2 -","- C348 H144 N8 -","4","0.5","","Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.","A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.","Physical chemistry chemical physics : PCCP","2014","16","25","12980","12986","10.1039/c4cp01036a","","","0.71073","MoKα","","0.1487","0.0796","","","0.2336","0.2915","","","","","","1.047","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216138","18.81","0.002","18.4239","0.0018","15.008","0.002","90","","90","","90","","5201.1","1","430","2","430","2","","","","","","","","3","P n m a","-P 2ac 2n","62","IDipp-C60","1,3-bis(diisopropylphenyl)imidazol-2-ylidene-C60 adduct","","- C87 H36 N2 -","- C87 H36 N2 -","- C348 H144 N8 -","4","0.5","","Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.","A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.","Physical chemistry chemical physics : PCCP","2014","16","25","12980","12986","10.1039/c4cp01036a","","","0.71073","MoKα","","0.176","0.0831","","","0.2351","0.3047","","","","","","1.018","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216139","18.833","0.004","18.483","0.004","14.978","0.004","90","","90","","90","","5214","2","480","2","480","2","","","","","","","","3","P n m a","-P 2ac 2n","62","IDipp-C60","1,3-bis(diisopropylphenyl)imidazol-2-ylidene-C60 adduct","","- C87 H36 N2 -","- C87 H36 N2 -","- C348 H144 N8 -","4","0.5","","Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.","A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.","Physical chemistry chemical physics : PCCP","2014","16","25","12980","12986","10.1039/c4cp01036a","","","0.71073","MoKα","","0.2133","0.0807","","","0.2499","0.3476","","","","","","0.986","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216140","12.6739","0.0015","14.0712","0.0016","19.438","0.002","102.258","0.003","97.661","0.003","104.351","0.003","3217.9","0.6","130","2","130","2","","","","","","","","4","P -1","-P 1","2","IDipp-C60, (CNPT)2","1,3-bis(diisopropylphenyl)imidazol-2-ylidene-C60 adduct, chloronaphthalene (two molecules) solvate","","- C107 H50 Cl2 N2 -","- C107 H50 Cl2 N2 -","- C214 H100 Cl4 N4 -","2","1","","Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.","A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.","Physical chemistry chemical physics : PCCP","2014","16","25","12980","12986","10.1039/c4cp01036a","","","0.71073","MoKα","","0.2005","0.149","","","0.4171","0.4644","","","","","","1.736","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216141","14.519","0.0008","19.3733","0.0011","22","0.0013","90","","93.887","0.001","90","","6173.9","0.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","IDipp-C60","1,3-bis(diisopropylphenyl)imidazol-2-ylidene-C60 adduct, toluene (two molecules) solvate","","- C101 H52 N2 -","- C101 H52 N2 -","- C404 H208 N8 -","4","1","","Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.","A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.","Physical chemistry chemical physics : PCCP","2014","16","25","12980","12986","10.1039/c4cp01036a","","","0.71073","MoKα","","0.0752","0.0519","","","0.1291","0.1437","","","","","","1.026","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216142","12.6739","0.0015","14.0712","0.0016","19.438","0.002","102.258","0.003","97.661","0.003","104.351","0.003","3217.9","0.6","130","2","130","2","","","","","","","","4","P -1","-P 1","2","IDipp-C60, (CNPT)2","1,3-bis(diisopropylphenyl)imidazol-2-ylidene-C60 adduct, chloronaphthalene (two molecules) solvate","","- C107 H50 Cl2 N2 -","- C107 H50 Cl2 N2 -","- C214 H100 Cl4 N4 -","2","1","","Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C.","A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator.","Physical chemistry chemical physics : PCCP","2014","16","25","12980","12986","10.1039/c4cp01036a","","","0.71073","MoKα","","0.154","0.1063","","","0.287","0.3338","","","","","","1.061","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216143","15.8154","0.0002","8.8922","0.0001","18.4302","0.0002","90","","98.393","0.001","90","","2564.15","0.05","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H18 La2 N6 O18 -","- C15 H10 La2 N6 O18 -","- C60 H40 La8 N24 O72 -","4","1","","Rodrigues, Carime V.; Luz, Leonis L.; Dutra, José Diogo L; Junior, Severino A.; Malta, Oscar L.; Gatto, Claudia C.; Streit, Huayna C.; Freire, Ricardo O.; Wickleder, Claudia; Rodrigues, Marcelo Oliveira","Unusual photoluminescence properties of the 3D mixed-lanthanide-organic frameworks induced by dimeric structures: a theoretical and experimental approach.","Physical chemistry chemical physics : PCCP","2014","16","28","14858","14866","10.1039/c4cp00405a","","","0.71073","MoKα","","0.0292","0.0271","","","0.0538","0.055","","","","","","1.029","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7216144","8.3581","0.0007","19.1124","0.0017","12.87","0.0011","90","","98.448","0.002","90","","2033.6","0.3","102","2","102.58","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H28 Br4 N4 -","- C13 H28 Br4 N4 -","- C52 H112 Br16 N16 -","4","1","","Rosokha, Sergiy V.; Stern, Charlotte L.; Swartz, Alan; Stewart, Rory","Halogen bonding of electrophilic bromocarbons with pseudohalide anions.","Physical chemistry chemical physics : PCCP","2014","16","25","12968","12979","10.1039/c4cp00976b","","","0.71073","MOKα","","0.0468","0.0358","","","0.0769","0.0811","","","","","","1.091","","","","has coordinates,has disorder","301864","2025-08-22","15:14:35",""
"7216145","8.3579","0.0005","19.0038","0.0011","12.9329","0.0007","90","","98.504","0.002","90","","2031.6","0.2","100","2","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 Br4 N2 O -","- C14 H28 Br4 N2 O -","- C56 H112 Br16 N8 O4 -","4","1","","Rosokha, Sergiy V.; Stern, Charlotte L.; Swartz, Alan; Stewart, Rory","Halogen bonding of electrophilic bromocarbons with pseudohalide anions.","Physical chemistry chemical physics : PCCP","2014","16","25","12968","12979","10.1039/c4cp00976b","","","1.54178","CuKα","","0.0283","0.0283","","","0.0723","0.0723","","","","","","1.284","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216146","7.8335","0.0005","36.215","0.002","12.8318","0.0008","90","","91.767","0.003","90","","3638.5","0.4","100","2","99.95","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H56 Br4 N4 S2 -","- C27 H56 Br4 N4 S2 -","- C108 H224 Br16 N16 S8 -","4","1","","Rosokha, Sergiy V.; Stern, Charlotte L.; Swartz, Alan; Stewart, Rory","Halogen bonding of electrophilic bromocarbons with pseudohalide anions.","Physical chemistry chemical physics : PCCP","2014","16","25","12968","12979","10.1039/c4cp00976b","","","0.71073","MoKα","","0.0974","0.0398","","","0.0766","0.1002","","","","","","0.834","","","","has coordinates,has disorder","301864","2025-08-22","15:14:35",""
"7216147","8.3003","0.0004","18.9573","0.001","12.948","0.0006","90","","98.635","0.002","90","","2014.29","0.17","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 Br3 N3 O3 -","- C14 H28 Br3 N3 O3 -","- C56 H112 Br12 N12 O12 -","4","1","","Rosokha, Sergiy V.; Stern, Charlotte L.; Swartz, Alan; Stewart, Rory","Halogen bonding of electrophilic bromocarbons with pseudohalide anions.","Physical chemistry chemical physics : PCCP","2014","16","25","12968","12979","10.1039/c4cp00976b","","","0.71073","MoKα","","0.0291","0.022","","","0.0467","0.0488","","","","","","1.036","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216148","10.0945","0.0003","11.5019","0.0004","31.8838","0.0011","90","","98.4293","0.0013","90","","3661.9","0.2","100","2","100.03","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H58 Br3 N5 O S2 -","- C28 H58 Br3 N5 O S2 -","- C112 H232 Br12 N20 O4 S8 -","4","1","","Rosokha, Sergiy V.; Stern, Charlotte L.; Swartz, Alan; Stewart, Rory","Halogen bonding of electrophilic bromocarbons with pseudohalide anions.","Physical chemistry chemical physics : PCCP","2014","16","25","12968","12979","10.1039/c4cp00976b","","","1.54178","CuKα","","0.0301","0.0288","","","0.0747","0.0759","","","","","","1.043","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216165","10.33","0.001","20.786","0.001","12.908","0.001","90","","100.697","0.001","90","","2723.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H19 N4 O6 Tb -","- C31 H19 N4 O6 Tb -","- C124 H76 N16 O24 Tb4 -","4","1","","Jia, Li; Hui, Yan-Chun; Li, Zongsheng; Sun, Hao-Ling; Wang, Zhenqiang","Luminescent lanthanide-2-phenylpyrimidine-carboxylate frameworks: structure and luminescence tuning","CrystEngComm","2014","16","28","6483","","10.1039/c4ce00360h","","","0.71073","MoKα","","0.0335","0.0255","","","0.0608","0.0639","","","","","","1.051","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216166","8.942","0.001","10.033","0.001","12.792","0.001","79.834","0.001","79.463","0.001","86.005","0.001","1109.74","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H15 Eu N4 O6.5 -","- C25 H14 Eu N4 O6.5 -","- C50 H28 Eu2 N8 O13 -","2","1","","Jia, Li; Hui, Yan-Chun; Li, Zongsheng; Sun, Hao-Ling; Wang, Zhenqiang","Luminescent lanthanide-2-phenylpyrimidine-carboxylate frameworks: structure and luminescence tuning","CrystEngComm","2014","16","28","6483","","10.1039/c4ce00360h","","","0.71073","MoKα","","0.0318","0.0283","","","0.0711","0.0764","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216167","7.626","0.001","13.117","0.001","16.103","0.001","99.972","0.001","99.69","0.001","98.667","0.001","1536.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H24 N6 O7 Tb -","- C35 H24 N6 O7 Tb -","- C70 H48 N12 O14 Tb2 -","2","1","","Jia, Li; Hui, Yan-Chun; Li, Zongsheng; Sun, Hao-Ling; Wang, Zhenqiang","Luminescent lanthanide-2-phenylpyrimidine-carboxylate frameworks: structure and luminescence tuning","CrystEngComm","2014","16","28","6483","","10.1039/c4ce00360h","","","0.71073","MoKα","","0.036","0.0322","","","0.0841","0.0924","","","","","","1.075","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216168","7.666","0.001","13.178","0.001","16.123","0.001","100.232","0.001","99.576","0.001","98.785","0.001","1552.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H24 Eu N6 O7 -","- C35 H24 Eu N6 O7 -","- C70 H48 Eu2 N12 O14 -","2","1","","Jia, Li; Hui, Yan-Chun; Li, Zongsheng; Sun, Hao-Ling; Wang, Zhenqiang","Luminescent lanthanide-2-phenylpyrimidine-carboxylate frameworks: structure and luminescence tuning","CrystEngComm","2014","16","28","6483","","10.1039/c4ce00360h","","","0.71073","MoKα","","0.0362","0.0311","","","0.0828","0.091","","","","","","1.041","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216169","10.09","0.001","14.133","0.001","15.143","0.001","70.273","0.001","71.654","0.001","76.327","0.001","1908.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H29 N8 O6 Tb -","- C45 H29 N8 O6 Tb -","- C90 H58 N16 O12 Tb2 -","2","1","","Jia, Li; Hui, Yan-Chun; Li, Zongsheng; Sun, Hao-Ling; Wang, Zhenqiang","Luminescent lanthanide-2-phenylpyrimidine-carboxylate frameworks: structure and luminescence tuning","CrystEngComm","2014","16","28","6483","","10.1039/c4ce00360h","","","0.71073","MoKα","","0.0445","0.035","","","0.087","0.1008","","","","","","1.04","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216170","10.066","0.005","14.037","0.008","15.093","0.008","70.602","0.008","71.933","0.007","76.487","0.008","1891.9","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H29 Eu N8 O6 -","- C45 H29 Eu N8 O6 -","- C90 H58 Eu2 N16 O12 -","2","1","","Jia, Li; Hui, Yan-Chun; Li, Zongsheng; Sun, Hao-Ling; Wang, Zhenqiang","Luminescent lanthanide-2-phenylpyrimidine-carboxylate frameworks: structure and luminescence tuning","CrystEngComm","2014","16","28","6483","","10.1039/c4ce00360h","","","0.71073","MoKα","","0.0613","0.0473","","","0.1321","0.1484","","","","","","1.089","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216172","12.889","0.002","14.4316","0.0018","13.6143","0.0019","90","","105.888","0.01","90","","2435.6","0.6","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C20 H22 N2 Na2 O8 Pd -","- C20 H22 N2 Na2 O8 Pd -","- C80 H88 N8 Na8 O32 Pd4 -","4","0.5","","Fortea-Pérez, Francisco R.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Stiriba, Salah-Eddine","Solid-state cis‒trans isomerism in bis(oxamato)palladate(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2014","16","30","6971","","10.1039/C4CE00669K","","","0.71073","MoKα","","0.0189","0.0164","","","0.0537","0.0697","","","","","","1.332","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216173","16.317","0.002","25.271","0.002","13.9855","0.0014","90","","124.893","0.006","90","","4730.1","0.9","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H42 K4 N4 O15 Pd2 -","- C40 H42 K4 N4 O15 Pd2 -","- C160 H168 K16 N16 O60 Pd8 -","4","1","","Fortea-Pérez, Francisco R.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Stiriba, Salah-Eddine","Solid-state cis‒trans isomerism in bis(oxamato)palladate(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2014","16","30","6971","","10.1039/C4CE00669K","","","0.71073","MoKα","","0.0203","0.0199","","","0.049","0.0493","","","","","","1.046","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216174","16.4305","0.001","25.181","0.0019","14.1936","0.0007","90","","124.878","0.002","90","","4817.6","0.5","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H42 N4 O15 Pd2 Rb4 -","- C40 H36 N4 O15 Pd2 Rb4 -","- C160 H144 N16 O60 Pd8 Rb16 -","4","1","","Fortea-Pérez, Francisco R.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Stiriba, Salah-Eddine","Solid-state cis‒trans isomerism in bis(oxamato)palladate(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2014","16","30","6971","","10.1039/C4CE00669K","","","0.71073","MoKα","","0.0647","0.0628","","","0.1924","0.1973","","","","","","1.063","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216175","24.874","0.005","24.355","0.005","26.539","0.005","90","","90","","90","","16077","6","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C60 H74 Cs6 N6 O28 Pd3 -","- C60 H54 Cs6 N6 O28 Pd3 -","- C480 H432 Cs48 N48 O224 Pd24 -","8","1","","Fortea-Pérez, Francisco R.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Stiriba, Salah-Eddine","Solid-state cis‒trans isomerism in bis(oxamato)palladate(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2014","16","30","6971","","10.1039/C4CE00669K","","","0.71073","MoKα","","0.1011","0.0681","","","0.2282","0.2592","","","","","","1.075","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216176","16.4083","0.0006","22.4457","0.0012","13.474","0.0004","90","","124.48","0.001","90","","4090.6","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H20 N2 Na2 O7 Pd -","- C20 H18 N2 Na2 O7 Pd -","- C160 H144 N16 Na16 O56 Pd8 -","8","2","","Fortea-Pérez, Francisco R.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Stiriba, Salah-Eddine","Solid-state cis–trans isomerism in bis(oxamato)palladate(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2014","16","30","6971","","10.1039/C4CE00669K","","","0.71073","MoKα","","0.0294","0.0286","","","0.0747","0.0812","","","","","","1.08","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7216177","7.7195","0.0005","8.2128","0.0005","26.4533","0.0017","90","","90","","90","","1677.11","0.18","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 N2 O8 -","- C14 H20 N2 O8 -","- C56 H80 N8 O32 -","4","1","","Karmakar, Anirban; Oliver, Clive L.; Platero-Prats, Ana E.; Laurila, Elina; Öhrström, Lars","Crystal structures and hydrogen bond analysis of five amino acid conjugates of terephthalic and benzene-1,2,3-tricarboxylic acids","CrystEngComm","2014","16","35","8243","","10.1039/C4CE00605D","","","0.71073","MoKα","","0.1123","0.0678","","","0.1084","0.121","","","","","","1.084","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216178","6.9544","0.0005","11.7552","0.0008","26.8723","0.0019","90","","90","","90","","2196.8","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 N2 O7 -","- C20 H30 N2 O7 -","- C80 H120 N8 O28 -","4","1","","Karmakar, Anirban; Oliver, Clive L.; Platero-Prats, Ana E.; Laurila, Elina; Öhrström, Lars","Crystal structures and hydrogen bond analysis of five amino acid conjugates of terephthalic and benzene-1,2,3-tricarboxylic acids","CrystEngComm","2014","16","35","8243","","10.1039/C4CE00605D","","","0.71073","MoKα","","0.1196","0.0615","","","0.1383","0.1635","","","","","","1.016","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216179","12.374","0.003","7.6754","0.0015","12.714","0.003","90","","107.15","0.03","90","","1153.8","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H32 N2 O8 -","- C20 H32 N2 O8 -","- C40 H64 N4 O16 -","2","1","","Karmakar, Anirban; Oliver, Clive L.; Platero-Prats, Ana E.; Laurila, Elina; Öhrström, Lars","Crystal structures and hydrogen bond analysis of five amino acid conjugates of terephthalic and benzene-1,2,3-tricarboxylic acids","CrystEngComm","2014","16","35","8243","","10.1039/C4CE00605D","","","0.71073","MoKα","","0.0761","0.0489","","","0.1206","0.1456","","","","","","1.217","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216180","10.5665","0.001","7.6596","0.0007","12.8714","0.0011","90","","106.949","0.002","90","","996.5","0.16","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H28 N2 O8 -","- C18 H28 N2 O8 -","- C36 H56 N4 O16 -","2","1","","Karmakar, Anirban; Oliver, Clive L.; Platero-Prats, Ana E.; Laurila, Elina; Öhrström, Lars","Crystal structures and hydrogen bond analysis of five amino acid conjugates of terephthalic and benzene-1,2,3-tricarboxylic acids","CrystEngComm","2014","16","35","8243","","10.1039/C4CE00605D","","","0.71073","MoKα","","0.1041","0.0816","","","0.2045","0.2254","","","","","","1.027","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216181","18.3488","0.0005","18.3488","0.0005","11.1379","0.0006","90","","90","","120","","3247.5","0.2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C18 H21.57 N3 O9.28 -","- C18 H21 N3 O9 -","- C108 H126 N18 O54 -","6","0.333333","","Karmakar, Anirban; Oliver, Clive L.; Platero-Prats, Ana E.; Laurila, Elina; Öhrström, Lars","Crystal structures and hydrogen bond analysis of five amino acid conjugates of terephthalic and benzene-1,2,3-tricarboxylic acids","CrystEngComm","2014","16","35","8243","","10.1039/C4CE00605D","","","0.71073","MoKα","","0.093","0.0889","","","0.2394","0.2413","","","","","","1.25","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216182","24.552","0.005","17.135","0.003","19.302","0.004","90","","111.1","0.03","90","","7576","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C9 H66 Ge2 K2 Mo16 N6 O71 -","- C9 H33 Ge2 K Mo16 N6 O71 -","- C36 H132 Ge8 K4 Mo64 N24 O284 -","4","0.5","","Gao, Yan-Qing; Zhang, Zhi-Ming; Shen, Jian-Qiang; Jia, Yue; Liu, Zhu-Jun; Wang, En-Bo","Self-assembly and thermotropic liquid crystal properties of a hexavacant germanomolybdate: [Ge2Mo16O58]12−","CrystEngComm","2014","16","29","6784","","10.1039/c4ce00536h","","","0.71073","MoKα","","0.0646","0.0464","","","0.1322","0.144","","","","","","0.983","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216183","21.051","0.004","15.483","0.003","13.472","0.003","90","","103.62","0.03","90","","4267.5","1.6","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Ge2 H60 Mo16 Na12 O88 -","- Ge2 Mo16 Na12 O88 -","- Ge4 Mo32 Na24 O176 -","2","0.25","","Gao, Yan-Qing; Zhang, Zhi-Ming; Shen, Jian-Qiang; Jia, Yue; Liu, Zhu-Jun; Wang, En-Bo","Self-assembly and thermotropic liquid crystal properties of a hexavacant germanomolybdate: [Ge2Mo16O58]12−","CrystEngComm","2014","16","29","6784","","10.1039/c4ce00536h","","","0.71073","MoKα","","0.0453","0.0399","","","0.1212","0.1237","","","","","","1.091","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216184","9.2869","0.0019","9.636","0.002","11.202","0.002","84.187","0.003","72.065","0.003","64.104","0.003","857.3","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H19 N -","- C23 H19 N -","- C46 H38 N2 -","2","1","","Taheri, Amir; Liu, Changhui; Lai, Bingbing; Cheng, Cheng; Pan, Xiaojuan; Gu, Yanlong","Brønsted acid ionic liquid catalyzed facile synthesis of 3-vinylindoles through direct C3 alkenylation of indoles with simple ketones","Green Chemistry","2014","16","8","3715","","10.1039/C4GC00840E","","","0.71073","MoKα","","0.0436","0.0394","","","0.0969","0.0998","","","","","","0.995","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216185","7.859","0.004","7.981","0.004","23.406","0.012","90","","92.401","0.009","90","","1466.8","1.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H19 N -","- C20 H19 N -","- C80 H76 N4 -","4","2","","Taheri, Amir; Liu, Changhui; Lai, Bingbing; Cheng, Cheng; Pan, Xiaojuan; Gu, Yanlong","Brønsted acid ionic liquid catalyzed facile synthesis of 3-vinylindoles through direct C3 alkenylation of indoles with simple ketones","Green Chemistry","2014","16","8","3715","","10.1039/C4GC00840E","","","0.71073","MoKα","","0.1756","0.1541","","","0.498","0.5295","","","","","","1","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216196","10.1044","0.0005","18.7022","0.0008","26.5462","0.0012","90","","98.448","0.002","90","","4962.1","0.4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H52 Cl2 Hg2 N8 O12 -","- C36 H52 Cl2 Hg2 N8 O12 -","- C144 H208 Cl8 Hg8 N32 O48 -","4","0.5","","Pati, Anita; Athilakshmi, Jeyaraman; Ramkumar, Venkatachalam; Chand, Dillip Kumar","A two-dimensional polydodecameric water‒chloride cluster enfolding (Hg‒Cl‒Hg)+concealed cascade cryptate","CrystEngComm","2014","16","30","6827","","10.1039/C4CE00802B","","","0.71073","MoKα","","0.0509","0.0407","","","0.1012","0.1059","","","","","","1.098","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216197","16.052","0.009","21.298","0.012","8.932","0.005","90","","99.1","0.02","90","","3015","3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H76 Cl3 Hg2 N8 O2 -","- C54 H76 Cl3 Hg2 N8 O2 -","- C108 H152 Cl6 Hg4 N16 O4 -","2","0.5","","Pati, Anita; Athilakshmi, Jeyaraman; Ramkumar, Venkatachalam; Chand, Dillip Kumar","A two-dimensional polydodecameric water‒chloride cluster enfolding (Hg‒Cl‒Hg)+concealed cascade cryptate","CrystEngComm","2014","16","30","6827","","10.1039/C4CE00802B","","","0.71073","MoKα","","0.1549","0.0871","","","0.2432","0.3047","","","","","","1.025","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216198","7.019","0.003","28.604","0.003","5.964","0.003","90","","91.808","0.008","90","","1196.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 Cu N2 O4 -","- C13 H10 Cu N2 O4 -","- C52 H40 Cu4 N8 O16 -","4","1","","Pasán, Jorge; Sanchiz, Joaquín; Fabelo, Óscar; Cañadillas-Delgado, Laura; Déniz, Mariadel; Díaz-Gallifa, Pau; Martínez-Benito, Carla; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Influence of the coligand in the magnetic properties of a series of copper(ii)‒phenylmalonate complexes","CrystEngComm","2014","16","35","8106","","10.1039/C4CE00834K","","x-ray","0.71073","MoKα","","0.0742","0.06","","","0.128","0.1327","","","","","","1.214","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216199","6.9188","0.0008","31.18","0.012","6.2103","0.0011","90","","93.463","0.015","90","","1337.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Cu N2 O4 -","- C15 H10 Cu N2 O4 -","- C60 H40 Cu4 N8 O16 -","4","1","","Pasán, Jorge; Sanchiz, Joaquín; Fabelo, Óscar; Cañadillas-Delgado, Laura; Déniz, Mariadel; Díaz-Gallifa, Pau; Martínez-Benito, Carla; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Influence of the coligand in the magnetic properties of a series of copper(ii)‒phenylmalonate complexes","CrystEngComm","2014","16","35","8106","","10.1039/C4CE00834K","","x-ray","0.71073","MoKα","","0.0865","0.0578","","","0.1369","0.1475","","","","","","1.013","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216200","6.3297","0.0002","31.7864","0.0011","6.939","0.0002","90","","92.732","0.003","90","","1394.53","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Cu N2 O4 -","- C15 H10 Cu N2 O4 -","- C60 H40 Cu4 N8 O16 -","4","1","","Pasán, Jorge; Sanchiz, Joaquín; Fabelo, Óscar; Cañadillas-Delgado, Laura; Déniz, Mariadel; Díaz-Gallifa, Pau; Martínez-Benito, Carla; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Influence of the coligand in the magnetic properties of a series of copper(ii)‒phenylmalonate complexes","CrystEngComm","2014","16","35","8106","","10.1039/C4CE00834K","","x-ray","1.54184","CuKα","","0.038","0.0323","","","0.0827","0.0867","","","","","","1.028","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216201","6.2264","0.0011","30.6016","0.0017","6.9804","0.0012","90","","93.297","0.013","90","","1327.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cl Cu N O4 -","- C14 H10 Cl Cu N O4 -","- C56 H40 Cl4 Cu4 N4 O16 -","4","1","","Pasán, Jorge; Sanchiz, Joaquín; Fabelo, Óscar; Cañadillas-Delgado, Laura; Déniz, Mariadel; Díaz-Gallifa, Pau; Martínez-Benito, Carla; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Influence of the coligand in the magnetic properties of a series of copper(ii)‒phenylmalonate complexes","CrystEngComm","2014","16","35","8106","","10.1039/C4CE00834K","","x-ray","0.71073","MoKα","","0.1535","0.0876","","","0.1791","0.196","","","","","","1.148","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216202","6.2413","0.0002","31.0345","0.0007","6.9777","0.0002","90","","93.573","0.002","90","","1348.92","0.07","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Br Cu N O4 -","- C14 H10 Br Cu N O4 -","- C56 H40 Br4 Cu4 N4 O16 -","4","1","","Pasán, Jorge; Sanchiz, Joaquín; Fabelo, Óscar; Cañadillas-Delgado, Laura; Déniz, Mariadel; Díaz-Gallifa, Pau; Martínez-Benito, Carla; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Influence of the coligand in the magnetic properties of a series of copper(ii)‒phenylmalonate complexes","CrystEngComm","2014","16","35","8106","","10.1039/C4CE00834K","","x-ray","1.54184","CuKα","","0.0604","0.0574","","","0.1675","0.1707","","","","","","1.184","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216203","6.2716","0.0002","31.968","0.0007","6.9916","0.0002","90","","93.949","0.002","90","","1398.42","0.07","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cu I N O4 -","- C14 H10 Cu I N O4 -","- C56 H40 Cu4 I4 N4 O16 -","4","1","","Pasán, Jorge; Sanchiz, Joaquín; Fabelo, Óscar; Cañadillas-Delgado, Laura; Déniz, Mariadel; Díaz-Gallifa, Pau; Martínez-Benito, Carla; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Influence of the coligand in the magnetic properties of a series of copper(ii)‒phenylmalonate complexes","CrystEngComm","2014","16","35","8106","","10.1039/C4CE00834K","","x-ray","1.54184","CuKα","","0.0524","0.0491","","","0.1364","0.1392","","","","","","1.181","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216204","6.8019","0.0004","14.4384","0.0008","19.8727","0.0012","90.46","0.002","99.276","0.002","101.46","0.002","1886.13","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 N5 O4.5 S -","- C18 H18 N5 O4.5 S -","- C72 H72 N20 O18 S4 -","4","2","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.1543","0.0567","","","","0.0996","","","","","","0.949","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216205","8.151","0.0005","26.5997","0.0017","10.1579","0.0007","90","","113.394","0.003","90","","2021.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N6 O4 S -","- C20 H20 N6 O4 S -","- C80 H80 N24 O16 S4 -","4","1","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.0798","0.0601","","","","0.1699","","","","","","1.146","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216206","6.9103","0.0001","22.1444","0.0005","25.1813","0.0005","90","","97.068","0.001","90","","3824.07","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H71 N21 O16 S4 -","- C74 H71 N21 O16 S4 -","- C148 H142 N42 O32 S8 -","2","0.5","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.1322","0.0572","","","0.1219","0.1456","","","","","","0.978","","","","has coordinates,has disorder","301864","2025-08-22","15:14:35",""
"7216207","10.9928","0.0008","15.3135","0.0015","12.551","0.001","90","","112.039","0.004","90","","1958.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N5 O4 S -","- C19 H19 N5 O4 S -","- C76 H76 N20 O16 S4 -","4","1","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.1021","0.0567","","","0.1151","0.1309","","","","","","0.985","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216208","12.005","0.003","13.789","0.003","13.81","0.004","72.186","0.007","68.682","0.007","80.962","0.007","2024.8","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 N5 O4 S -","- C22 H19 N5 O4 S -","- C88 H76 N20 O16 S4 -","4","2","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.1858","0.0618","","","","0.102","","","","","","0.887","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216209","6.9267","0.0002","8.3356","0.0003","28.8177","0.001","86.485","0.002","84.209","0.002","76.271","0.001","1606.89","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H29 N9 O8 S2 -","- C32 H29 N9 O8 S2 -","- C64 H58 N18 O16 S4 -","2","1","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.0916","0.0616","","","0.1327","0.1457","","","","","","1.096","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216210","11.6101","0.0006","26.2908","0.0015","6.771","0.0003","90","","103.48","0.003","90","","2009.84","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N6 O4 S -","- C21 H18 N6 O4 S -","- C84 H72 N24 O16 S4 -","4","1","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.0721","0.0546","","","","0.1538","","","","","","1.081","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216211","6.792","0.011","8.646","0.015","29.66","0.05","94.159","0.011","90.513","0.018","104.78","0.04","1679","5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 N8 O8 S2 -","- C34 H30 N8 O8 S2 -","- C68 H60 N16 O16 S4 -","2","1","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.6889","synchrotron","","0.2644","0.1739","","","","0.4876","","","","","","1.239","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216212","9.1504","0.0004","10.9678","0.0004","11.7747","0.0005","89.228","0.002","75.765","0.002","70.977","0.002","1080","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H15 Cl2 N3 O8 S -","- C21 H15 Cl2 N3 O8 S -","- C42 H30 Cl4 N6 O16 S2 -","2","1","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.0586","0.0376","","","0.0844","0.0909","","","","","","0.945","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216213","8.5627","0.0005","13.3395","0.0007","19.3963","0.0012","90","","100.925","0.003","90","","2175.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Cl2 N3 O8 S -","- C21 H15 Cl2 N3 O8 S -","- C84 H60 Cl8 N12 O32 S4 -","4","1","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.0797","0.0397","","","0.0678","0.0762","","","","","","0.922","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216214","7.0616","0.0008","11.6031","0.0013","13.2994","0.0017","71.351","0.005","84.932","0.005","78.919","0.005","1012.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 Cl N4 O6 S -","- C20 H17 Cl N4 O6 S -","- C40 H34 Cl2 N8 O12 S2 -","2","1","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.0896","0.045","","","","0.1065","","","","","","0.984","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216215","8.8422","0.0017","13.437","0.002","19.242","0.004","90","","100.518","0.011","90","","2247.8","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Br2 N3 O8 S -","- C21 H15 Br2 N3 O8 S -","- C84 H60 Br8 N12 O32 S4 -","4","1","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.049","0.0319","","","","0.0785","","","","","","0.935","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216216","8.0679","0.0009","16.014","0.0017","3.5224","0.0004","90","","101.112","0.001","90","","446.56","0.09","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Ca4 O10 Tm -","- B3 Ca4.021 O10 Tm1.005 -","- B6 Ca8.042 O20 Tm2.01 -","2","0.5","","Liu, Yanqing; Yu, Fapeng; Wang, Zhengping; Hou, Shuai; Yang, Lei; Xu, Xinguang; Zhao, Xian","Bulk growth and nonlinear optical properties of thulium calcium oxyborate single crystals","CrystEngComm","2014","16","30","7141","","10.1039/C4CE00869C","","","0.71069","MoKα","","0.0152","0.0152","","","0.0359","0.0359","","","","","","0.869","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216217","13.6451","0.0019","13.6451","0.0019","17.203","0.003","90","","90","","120","","2773.9","0.7","293","2","293","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C36 H90 Fe6 N6 O27 -","- C36 H72 Fe6 N6 O27 -","- C72 H144 Fe12 N12 O54 -","2","0.166667","","Liu, Sui-Jun; Han, Song-De; Jia, Ji-Min; Xue, Li; Cui, Yu; Zhang, Shu-Ming; Chang, Ze","Step-by-step synthesis of one Fe6 wheel and two Fe10 clusters derived from a multidentate triethanolamine ligand","CrystEngComm","2014","16","24","5212","","10.1039/c3ce42381f","","","0.71073","MoKα","","0.0674","0.0593","","","0.1388","0.1427","","","","","","1.189","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216218","37.09","0.02","11.39","0.007","29.307","0.016","90","","90.01","0.001","90","","12381","12","113","2","386","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H80 Fe10 N6 O34 -","- C42 H78 Fe10 N6 O34 -","- C336 H624 Fe80 N48 O272 -","8","1","","Liu, Sui-Jun; Han, Song-De; Jia, Ji-Min; Xue, Li; Cui, Yu; Zhang, Shu-Ming; Chang, Ze","Step-by-step synthesis of one Fe6 wheel and two Fe10 clusters derived from a multidentate triethanolamine ligand","CrystEngComm","2014","16","24","5212","","10.1039/c3ce42381f","","","0.71073","MoKα","","0.1286","0.0991","","","0.1801","0.2036","","","","","","1.005","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216219","11.154","0.002","29.642","0.006","21.965","0.004","90","","104.05","0.03","90","","7045","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H87 Cl4 Fe10 N7 O27 -","- C43 H84 Cl4 Fe10 N7 O27 -","- C172 H336 Cl16 Fe40 N28 O108 -","4","1","","Liu, Sui-Jun; Han, Song-De; Jia, Ji-Min; Xue, Li; Cui, Yu; Zhang, Shu-Ming; Chang, Ze","Step-by-step synthesis of one Fe6 wheel and two Fe10 clusters derived from a multidentate triethanolamine ligand","CrystEngComm","2014","16","24","5212","","10.1039/c3ce42381f","","","0.71073","MoKα","","0.1104","0.0811","","","0.2013","0.2186","","","","","","1.098","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216220","11.597","0.004","22.299","0.007","13.655","0.005","90","","94.344","0.006","90","","3521","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cl Fe N24 O14 -","- C18 H32 Cl Fe N24 O14 -","- C72 H128 Cl4 Fe4 N96 O56 -","4","1","","Wang, Lei; Wang, Wenqiang; Guo, Dong; Zhang, Ao; Song, Yaoguang; Zhang, Yiheng; Huang, Keke","Design and syntheses of hybrid supramolecular architectures: based on [Fe(C2O4)3]3− metallotectons and diverse organic cations","CrystEngComm","2014","16","24","5437","","10.1039/c4ce00357h","","","0.71073","MoKα","","0.0751","0.0502","","","0.1376","0.1497","","","","","","0.993","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216221","13.4174","0.0006","18.1772","0.0007","22.334","0.0008","90","","90","","90","","5447.1","0.4","293","2","293","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C22 H22 Fe K N4 O14 -","- C22 H22 Fe K N4 O14 -","- C176 H176 Fe8 K8 N32 O112 -","8","0.5","","Wang, Lei; Wang, Wenqiang; Guo, Dong; Zhang, Ao; Song, Yaoguang; Zhang, Yiheng; Huang, Keke","Design and syntheses of hybrid supramolecular architectures: based on [Fe(C2O4)3]3− metallotectons and diverse organic cations","CrystEngComm","2014","16","24","5437","","10.1039/c4ce00357h","","","0.71073","MoKα","","0.085","0.0449","","","0.09","0.1041","","","","","","1.043","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216222","7.599","0.0005","11.7318","0.0007","16.7071","0.001","88.582","0.001","88.202","0.001","71.4","0.001","1410.78","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H23 Fe N4 O11 -","- C28 H23 Fe N4 O11 -","- C56 H46 Fe2 N8 O22 -","2","1","","Wang, Lei; Wang, Wenqiang; Guo, Dong; Zhang, Ao; Song, Yaoguang; Zhang, Yiheng; Huang, Keke","Design and syntheses of hybrid supramolecular architectures: based on [Fe(C2O4)3]3− metallotectons and diverse organic cations","CrystEngComm","2014","16","24","5437","","10.1039/c4ce00357h","","","0.71073","MoKα","","0.0543","0.0435","","","0.1233","0.1298","","","","","","1.013","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216223","10.6758","0.0008","10.7457","0.0008","10.8774","0.0009","113.219","0.008","109.138","0.007","99.294","0.006","1020.84","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H32 Cl4 Fe2 N8 O12 -","- C34 H32 Cl4 Fe2 N8 O12 -","- C34 H32 Cl4 Fe2 N8 O12 -","1","0.5","","Wang, Lei; Wang, Wenqiang; Guo, Dong; Zhang, Ao; Song, Yaoguang; Zhang, Yiheng; Huang, Keke","Design and syntheses of hybrid supramolecular architectures: based on [Fe(C2O4)3]3− metallotectons and diverse organic cations","CrystEngComm","2014","16","24","5437","","10.1039/c4ce00357h","","","0.71073","MoKα","","0.0877","0.0498","","","0.1086","0.1294","","","","","","1.02","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216224","14.7637","0.0012","20.5458","0.0015","9.5211","0.0008","90","","107.412","0.009","90","","2755.7","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Fe K N4 O14 -","- C22 H24 Fe K N4 O14 -","- C88 H96 Fe4 K4 N16 O56 -","4","0.5","","Wang, Lei; Wang, Wenqiang; Guo, Dong; Zhang, Ao; Song, Yaoguang; Zhang, Yiheng; Huang, Keke","Design and syntheses of hybrid supramolecular architectures: based on [Fe(C2O4)3]3− metallotectons and diverse organic cations","CrystEngComm","2014","16","24","5437","","10.1039/c4ce00357h","","","0.71073","MoKα","","0.0381","0.0315","","","0.0771","0.0801","","","","","","1.03","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7216225","14.7204","0.0005","16.3987","0.0006","18.7939","0.0007","90","","103.259","0.001","90","","4415.8","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Fe K N4 O13 -","- C16 H18 Fe K N4 O13 -","- C128 H144 Fe8 K8 N32 O104 -","8","1","","Wang, Lei; Wang, Wenqiang; Guo, Dong; Zhang, Ao; Song, Yaoguang; Zhang, Yiheng; Huang, Keke","Design and syntheses of hybrid supramolecular architectures: based on [Fe(C2O4)3]3− metallotectons and diverse organic cations","CrystEngComm","2014","16","24","5437","","10.1039/c4ce00357h","","","0.71073","MoKα","","0.0382","0.0339","","","0.0906","0.0932","","","","","","1.093","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216226","14.5197","0.001","12.4744","0.0008","9.3796","0.0007","90","","109.26","0.008","90","","1603.8","0.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H9 Fe N6 O4 -","- C14 H9 Fe N6 O4 -","- C56 H36 Fe4 N24 O16 -","4","1","","Wang, Lei; Wang, Wenqiang; Guo, Dong; Zhang, Ao; Song, Yaoguang; Zhang, Yiheng; Huang, Keke","Design and syntheses of hybrid supramolecular architectures: based on [Fe(C2O4)3]3− metallotectons and diverse organic cations","CrystEngComm","2014","16","24","5437","","10.1039/c4ce00357h","","","0.71073","MoKα","","0.0492","0.042","","","0.0862","0.0921","","","","","","1.012","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216227","7.6299","0.0006","8.1873","0.0007","10.0309","0.0009","107.527","0.008","100.261","0.007","95.27","0.007","580.85","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H26 Fe2 N4 O20 -","- C12 H26 Fe2 N4 O20 -","- C12 H26 Fe2 N4 O20 -","1","0.5","","Wang, Lei; Wang, Wenqiang; Guo, Dong; Zhang, Ao; Song, Yaoguang; Zhang, Yiheng; Huang, Keke","Design and syntheses of hybrid supramolecular architectures: based on [Fe(C2O4)3]3− metallotectons and diverse organic cations","CrystEngComm","2014","16","24","5437","","10.1039/c4ce00357h","","","0.71073","MoKα","","0.0434","0.0355","","","0.0889","0.094","","","","","","1.065","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216228","11.539","0.003","11.562","0.003","14.283","0.003","99.419","0.003","96.191","0.003","117.938","0.003","1623.1","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H48 N16 O19 Zn5 -","- C62 H46 N16 O19 Zn5 -","- C62 H46 N16 O19 Zn5 -","1","0.5","","Hua, Ji-Ai; Zhao, Yue; Liu, Qing; Zhao, Dan; Chen, Kai; Sun, Wei-Yin","Zinc(ii) coordination polymers with substituted benzenedicarboxylate and tripodal imidazole ligands: syntheses, structures and properties","CrystEngComm","2014","16","32","7536","","10.1039/C4CE00835A","","","0.71073","MoKα","","0.0896","0.0663","","","0.1852","0.2045","","","","","","1.019","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216229","7.999","0.01","11.703","0.005","17.386","0.002","104.387","0.002","98.557","0.002","96.306","0.002","1541","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H31 N7 O15 S Zn2 -","- C23 H31 N7 O15 S Zn2 -","- C46 H62 N14 O30 S2 Zn4 -","2","1","","Hua, Ji-Ai; Zhao, Yue; Liu, Qing; Zhao, Dan; Chen, Kai; Sun, Wei-Yin","Zinc(ii) coordination polymers with substituted benzenedicarboxylate and tripodal imidazole ligands: syntheses, structures and properties","CrystEngComm","2014","16","32","7536","","10.1039/C4CE00835A","","","0.71073","MoKα","","0.0417","0.0368","","","0.0975","0.1008","","","","","","1.034","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216230","14.6517","0.0016","7.8277","0.0008","22.551","0.002","90","","90.01","0.02","90","","2586.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H42 N12 O17 Zn2 -","- C54 H38 N12 O17 Zn2 -","- C108 H76 N24 O34 Zn4 -","2","0.5","","Hua, Ji-Ai; Zhao, Yue; Liu, Qing; Zhao, Dan; Chen, Kai; Sun, Wei-Yin","Zinc(ii) coordination polymers with substituted benzenedicarboxylate and tripodal imidazole ligands: syntheses, structures and properties","CrystEngComm","2014","16","32","7536","","10.1039/C4CE00835A","","","0.71073","MoKα","","0.0512","0.0393","","","0.115","0.1341","","","","","","1.075","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216231","10.426","0.005","18.99","0.01","11.711","0.006","90","","96.875","0.01","90","","2302","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N7 O7 Zn -","- C23 H15 N7 O7 Zn -","- C92 H60 N28 O28 Zn4 -","4","1","","Hua, Ji-Ai; Zhao, Yue; Liu, Qing; Zhao, Dan; Chen, Kai; Sun, Wei-Yin","Zinc(ii) coordination polymers with substituted benzenedicarboxylate and tripodal imidazole ligands: syntheses, structures and properties","CrystEngComm","2014","16","32","7536","","10.1039/C4CE00835A","","","0.71073","MoKα","","0.0328","0.0297","","","0.0829","0.0851","","","","","","1.039","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216232","17.5405","0.0009","17.5405","0.0009","76.087","0.003","90","","90","","120","","20273.3","1.7","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C48 H12 Co9 Li3 N36 O54 -","- C48 H12 Co9 Li3 N36 O54 -","- C288 H72 Co54 Li18 N216 O324 -","6","0.166667","","Zou, Ji-Yong; Shi, Wei; Zhang, Jing-Ya; He, Yan-Fei; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng","Alkaline cation directed structural diversity of cubic-cage-based cobalt(ii) metal‒organic frameworks: from pcu to bct net","CrystEngComm","2014","16","30","7133","","10.1039/C4CE00597J","","","0.71073","MoKα","","0.1077","0.062","","","0.1614","0.1806","","","","","","0.952","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216233","17.6972","0.0011","17.6972","0.0011","76.397","0.005","90","","90","","120","","20721","2","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C48 H12 Co9 Li3 N36 O54 -","- C48 H12 Co9 Li3 N36 O54 -","- C288 H72 Co54 Li18 N216 O324 -","6","0.166667","","Zou, Ji-Yong; Shi, Wei; Zhang, Jing-Ya; He, Yan-Fei; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng","Alkaline cation directed structural diversity of cubic-cage-based cobalt(ii) metal‒organic frameworks: from pcu to bct net","CrystEngComm","2014","16","30","7133","","10.1039/C4CE00597J","","","0.71073","MoKα","","0.1139","0.0553","","","0.1475","0.168","","","","","","0.903","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216234","28.9159","0.0013","18.0006","0.0012","28.5482","0.0014","90","","110.501","0.005","90","","13918.3","1.4","126.1","0.3","126.1","0.3","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H4 Co8 K5 N36 O51 -","- C48 H4 Co8 K5 N36 O51 -","- C192 H16 Co32 K20 N144 O204 -","4","0.5","","Zou, Ji-Yong; Shi, Wei; Zhang, Jing-Ya; He, Yan-Fei; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng","Alkaline cation directed structural diversity of cubic-cage-based cobalt(ii) metal‒organic frameworks: from pcu to bct net","CrystEngComm","2014","16","30","7133","","10.1039/C4CE00597J","","","0.71073","MoKα","","0.1219","0.0785","","","0.227","0.2515","","","","","","0.971","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216241","7.673","0.006","13.318","0.011","16.25","0.014","90","","90","","90","","1661","2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","COCRYSTAL 1","","","- C12 H13 Cl N6 O5 S2 -","- C12 H13 Cl N6 O5 S2 -","- C48 H52 Cl4 N24 O20 S8 -","4","1","","Wang, Jian-Rong; Ye, Chanjuan; Mei, Xuefeng","Structural and physicochemical aspects of hydrochlorothiazide co-crystals","CrystEngComm","2014","16","30","6996","","10.1039/C4CE00666F","","","0.71073","MoKα","","0.112","0.0538","","","0.0996","0.1215","","","","","","1.022","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216242","7.5201","0.0011","18.295","0.003","17.782","0.003","90","","93.534","0.009","90","","2441.8","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","COCRYSTAL 5","","","- C22 H22 Cl N6 O5 S2 -","- C22 H22 Cl N6 O5 S2 -","- C88 H88 Cl4 N24 O20 S8 -","4","1","","Wang, Jian-Rong; Ye, Chanjuan; Mei, Xuefeng","Structural and physicochemical aspects of hydrochlorothiazide co-crystals","CrystEngComm","2014","16","30","6996","","10.1039/C4CE00666F","","","0.71073","MoKα","","0.1023","0.0481","","","0.0986","0.1148","","","","","","0.939","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216243","10.676","0.002","23.734","0.005","8.556","0.0016","90","","95.786","0.008","90","","2156.9","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","COCRYSTAL 6","","","- C19 H20 Cl N5 O4 S2 -","- C19 H20 Cl N5 O4 S2 -","- C76 H80 Cl4 N20 O16 S8 -","4","1","","Wang, Jian-Rong; Ye, Chanjuan; Mei, Xuefeng","Structural and physicochemical aspects of hydrochlorothiazide co-crystals","CrystEngComm","2014","16","30","6996","","10.1039/C4CE00666F","","","0.71073","MoKα","","0.1882","0.0673","","","0.0858","0.1114","","","","","","1.017","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216244","11.2718","0.0014","26.189","0.003","21.16","0.003","90","","93.349","0.009","90","","6235.7","1.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","HCTEN","","","- C31 H32 Cl N7 O4 S2 -","- C31 H28 Cl N7 O4 S2 -","- C248 H224 Cl8 N56 O32 S16 -","8","2","","Wang, Jian-Rong; Ye, Chanjuan; Mei, Xuefeng","Structural and physicochemical aspects of hydrochlorothiazide co-crystals","CrystEngComm","2014","16","30","6996","","10.1039/C4CE00666F","","","0.71073","MoKα","","0.2088","0.0912","","","0.2063","0.2664","","","","","","1.022","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216245","9.0139","0.0003","21.2524","0.0008","22.2753","0.0008","90","","90","","90","","4267.2","0.3","120","0.2","120","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","disodium guanosine-5-phosphate heptahydrate","","- C10 H26 N5 Na2 O15 P -","- C10 H26 N5 Na2 O15 P -","- C80 H208 N40 Na16 O120 P8 -","8","2","","Dračínský, Martin; Šála, Michal; Hodgkinson, Paul","Dynamics of water molecules and sodium ions in solid hydrates of nucleotides","CrystEngComm","2014","16","29","6756","","10.1039/c4ce00727a","","","0.71073","MoKα","","0.116","0.0794","","","0.1792","0.2118","","","","","","1.029","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216246","17.125","0.003","14.6887","0.0018","7.0147","0.0011","90","","93.338","0.016","90","","1761.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 N4 O2 P S2 -","- C12 H21 N4 O2 P S2 -","- C48 H84 N16 O8 P4 S8 -","4","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Bolte, Michael; Garcia, Yann","N-Salicylidene aniline derivatives based on the N′-thiophosphorylated thiourea scaffold","CrystEngComm","2014","16","30","7053","","10.1039/C4CE00598H","","","0.71073","MoKα","","0.1248","0.1007","","","0.2267","0.2412","","","","","","0.996","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216247","6.8774","0.0005","14.6409","0.0014","15.1569","0.0012","70.775","0.008","89.447","0.006","83.841","0.007","1432.2","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H31 N4 O5 P S2 -","- C26 H31 N4 O5 P S2 -","- C52 H62 N8 O10 P2 S4 -","2","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Bolte, Michael; Garcia, Yann","N-Salicylidene aniline derivatives based on the N′-thiophosphorylated thiourea scaffold","CrystEngComm","2014","16","30","7053","","10.1039/C4CE00598H","","","0.71073","MoKα","","0.0695","0.052","","","0.1332","0.1447","","","","","","1.04","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216248","8.5874","0.0007","11.9114","0.0014","12.8574","0.0015","98.428","0.01","109.104","0.009","96.547","0.008","1210.7","0.2","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H24 Cl N4 O3 P S2 -","- C19 H24 Cl N4 O3 P S2 -","- C38 H48 Cl2 N8 O6 P2 S4 -","2","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Bolte, Michael; Garcia, Yann","N-Salicylidene aniline derivatives based on the N′-thiophosphorylated thiourea scaffold","CrystEngComm","2014","16","30","7053","","10.1039/C4CE00598H","","","0.71073","MoKα","","0.0583","0.0463","","","0.1191","0.1261","","","","","","1.05","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216249","8.5957","0.0013","11.821","0.002","12.807","0.002","98.558","0.015","108.643","0.015","97.79","0.015","1195.8","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H24 Br N4 O3 P S2 -","- C19 H24 Br N4 O3 P S2 -","- C38 H48 Br2 N8 O6 P2 S4 -","2","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Bolte, Michael; Garcia, Yann","N-Salicylidene aniline derivatives based on the N′-thiophosphorylated thiourea scaffold","CrystEngComm","2014","16","30","7053","","10.1039/C4CE00598H","","","0.71073","MoKα","","0.048","0.0424","","","0.1101","0.1141","","","","","","1.037","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216250","9.0052","0.0008","11.7572","0.001","12.3225","0.0011","98.558","0.007","106.445","0.007","97.06","0.007","1218.5","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H23 Cl2 N4 O3 P S2 -","- C19 H23 Cl2 N4 O3 P S2 -","- C38 H46 Cl4 N8 O6 P2 S4 -","2","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Bolte, Michael; Garcia, Yann","N-Salicylidene aniline derivatives based on the N′-thiophosphorylated thiourea scaffold","CrystEngComm","2014","16","30","7053","","10.1039/C4CE00598H","","","0.71073","MoKα","","0.0567","0.0436","","","0.0955","0.1001","","","","","","1.104","","","","has coordinates,has disorder","301864","2025-08-22","15:14:35",""
"7216251","25.4932","0.0013","8.2482","0.0005","25.1957","0.0014","90","","101.28","0.004","90","","5195.6","0.5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 Br2 N4 O3.5 P S2 -","- C20 H26 Br2 N4 O3.5 P S2 -","- C160 H208 Br16 N32 O28 P8 S16 -","8","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Bolte, Michael; Garcia, Yann","N-Salicylidene aniline derivatives based on the N′-thiophosphorylated thiourea scaffold","CrystEngComm","2014","16","30","7053","","10.1039/C4CE00598H","","","0.71073","MoKα","","0.0821","0.0546","","","0.1208","0.1318","","","","","","1.027","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216252","13.467","0.008","20.219","0.011","19.994","0.011","90","","90.088","0.008","90","","5444","5","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 O48 Si24 -","- C8 O48 Si24 -","- C32 O192 Si96 -","4","1","","Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu","Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.","Physical chemistry chemical physics : PCCP","2014","16","30","15839","15845","10.1039/c4cp01860e","","","0.71073","MoKα","","0.1345","0.0498","","","0.1125","0.1347","","","","","","0.835","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216253","13.33","0.03","20.04","0.04","19.81","0.04","90","","89.97","0.04","90","","5292","19","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7.1 H0 O48 Si24 -","- C7.132 O48 Si24 -","- C28.528 O192 Si96 -","4","1","","Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu","Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.","Physical chemistry chemical physics : PCCP","2014","16","30","15839","15845","10.1039/c4cp01860e","","","0.71073","MoKα","","0.1506","0.055","","","0.1114","0.1353","","","","","","0.835","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216254","13.549","0.004","20.223","0.006","20.059","0.006","90","","90.103","0.004","90","","5496","3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4.4 H0 O48 Si24 -","- C4.428 O48 Si24 -","- C17.712 O192 Si96 -","4","1","","Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu","Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.","Physical chemistry chemical physics : PCCP","2014","16","30","15839","15845","10.1039/c4cp01860e","","","0.71073","MoKα","","0.1353","0.0486","","","0.1409","0.1682","","","","","","0.887","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216255","13.435","0.019","20.16","0.03","19.9","0.03","90","","90","0.04","90","","5390","14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H0 O48 Si24 -","- C10 O48 Si24 -","- C40 O192 Si96 -","4","1","","Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu","Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.","Physical chemistry chemical physics : PCCP","2014","16","30","15839","15845","10.1039/c4cp01860e","","","0.71073","MoKα","","0.1269","0.052","","","0.1144","0.1336","","","","","","0.821","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216256","13.418","0.005","20.131","0.007","19.924","0.007","90","","90.06","0.013","90","","5382","3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 O48 Si24 -","- C8 O48 Si24 -","- C32 O192 Si96 -","4","1","","Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu","Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.","Physical chemistry chemical physics : PCCP","2014","16","30","15839","15845","10.1039/c4cp01860e","","","0.71073","MoKα","","0.1245","0.0506","","","0.1171","0.1337","","","","","","0.925","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216257","13.534","0.003","20.319","0.005","20.104","0.005","90","","90.045","0.004","90","","5529","2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 O48 Si24 -","- C12 O48 Si24 -","- C48 O192 Si96 -","4","1","","Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu","Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.","Physical chemistry chemical physics : PCCP","2014","16","30","15839","15845","10.1039/c4cp01860e","","","0.71073","MoKα","","0.0593","0.0455","","","0.1362","0.1449","","","","","","1.003","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216258","13.47","0.02","20.19","0.01","19.98","0.007","90","","90.02","0.007","90","","5434","9","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 O48 Si24 -","- C10 O48 Si24 -","- C40 O192 Si96 -","4","1","","Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu","Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.","Physical chemistry chemical physics : PCCP","2014","16","30","15839","15845","10.1039/c4cp01860e","","","0.71073","MoKα","","0.1371","0.0492","","","0.106","0.1281","","","","","","0.82","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216259","13.465","0.007","20.177","0.011","19.962","0.011","90","","90.052","0.006","90","","5423","5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7.6 H0 O48 Si24 -","- C7.596 O48 Si24 -","- C30.384 O192 Si96 -","4","1","","Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu","Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.","Physical chemistry chemical physics : PCCP","2014","16","30","15839","15845","10.1039/c4cp01860e","","","0.71073","MoKα","","0.1043","0.0464","","","0.1244","0.1404","","","","","","0.92","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216260","13.455","0.003","20.19","0.004","19.95","0.004","90","","90.16","0.03","90","","5419.5","1.9","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C4.4 O48 Si24 -","- C4.396 O48 Si24 -","- C17.584 O192 Si96 -","4","1","","Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu","Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.","Physical chemistry chemical physics : PCCP","2014","16","30","15839","15845","10.1039/c4cp01860e","","","0.71073","MoKα","","0.1963","0.0525","","","0.0983","0.1281","","","","","","0.738","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216261","13.375","0.017","20.13","0.02","19.9","0.02","90","","90.1","0.03","90","","5358","10","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C O48 Si24 -","- C0.976 O48 Si24 -","- C3.904 O192 Si96 -","4","1","","Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu","Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.","Physical chemistry chemical physics : PCCP","2014","16","30","15839","15845","10.1039/c4cp01860e","","","0.71073","MoKα","","0.1164","0.0534","","","0.1119","0.128","","","","","","0.862","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216262","13.465","0.006","20.16","0.009","19.99","0.009","90","","89.983","0.008","90","","5426","4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H0 O48 Si24 -","- C3.048 O48 Si24 -","- C12.192 O192 Si96 -","4","1","","Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu","Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.","Physical chemistry chemical physics : PCCP","2014","16","30","15839","15845","10.1039/c4cp01860e","","","0.71073","MoKα","","0.1217","0.0484","","","0.1365","0.1605","","","","","","0.874","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216263","13.29","0.02","20.02","0.03","19.79","0.03","90","","90.04","0.03","90","","5265","14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C1.3 H0 O48 Si24 -","- C1.305 O48 Si24 -","- C5.22 O192 Si96 -","4","1","","Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu","Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.","Physical chemistry chemical physics : PCCP","2014","16","30","15839","15845","10.1039/c4cp01860e","","","0.71073","MoKα","","0.1203","0.0549","","","0.1102","0.1273","","","","","","0.872","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216264","13.462","0.006","20.198","0.008","19.99","0.009","90","","90.091","0.012","90","","5435","4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C3.6 O48 Si24 -","- C3.592 O48 Si24 -","- C14.368 O192 Si96 -","4","1","","Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu","Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.","Physical chemistry chemical physics : PCCP","2014","16","30","15839","15845","10.1039/c4cp01860e","","","0.71073","MoKα","","0.1646","0.0555","","","0.1356","0.1593","","","","","","0.942","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216265","13.517","0.006","20.307","0.01","20.071","0.009","90","","89.998","0.006","90","","5509","4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C4 O48 Si24 -","- C4.02 O48 Si24 -","- C16.08 O192 Si96 -","4","1","","Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu","Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.","Physical chemistry chemical physics : PCCP","2014","16","30","15839","15845","10.1039/c4cp01860e","","","0.71073","MoKα","","0.0501","0.0416","","","0.1302","0.1357","","","","","","1.069","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216266","13.431","0.006","20.148","0.008","19.921","0.009","90","","90.116","0.012","90","","5391","4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C5 O48 Si24 -","- C5 O48 Si24 -","- C20 O192 Si96 -","4","1","","Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu","Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.","Physical chemistry chemical physics : PCCP","2014","16","30","15839","15845","10.1039/c4cp01860e","","","0.71073","MoKα","","0.1623","0.0594","","","0.1484","0.1791","","","","","","0.975","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216267","13.448","0.009","20.156","0.014","19.971","0.014","90","","89.962","0.007","90","","5413","6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4.5 H0 O48 Si24 -","- C4.532 O48 Si24 -","- C18.128 O192 Si96 -","4","1","","Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu","Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.","Physical chemistry chemical physics : PCCP","2014","16","30","15839","15845","10.1039/c4cp01860e","","","0.71073","MoKα","","0.1332","0.0513","","","0.1423","0.1649","","","","","","0.887","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216341","10.3636","0.0009","12.2034","0.0011","14.0163","0.0012","89.208","0.002","73.739","0.001","75.875","0.001","1647.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H26 Co N4 O8 -","- C40 H26 Co N4 O8 -","- C80 H52 Co2 N8 O16 -","2","1","","Fan, Liming; Gao, Yan; Liu, Guangzeng; Fan, Weiliu; Song, Weikuo; Sun, Liming; Zhao, Xian; Zhang, Xiutang","Syntheses, structures, and magnetic properties of six coordination polymers based on 4,5-di(4′-carboxylphenyl)phthalic acid and different bis(imidazole) bridging linkers","CrystEngComm","2014","16","33","7649","","10.1039/C4CE00760C","","","0.71073","MoKα","","0.0621","0.0439","","","0.111","0.1297","","","","","","1.003","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216342","19.7798","0.0006","12.5466","0.0011","25.8545","0.0006","90","","110.619","0.003","90","","6005.3","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H20 Co2 N4 O8 -","- C34 H20 Co2 N4 O8 -","- C272 H160 Co16 N32 O64 -","8","1","","Fan, Liming; Gao, Yan; Liu, Guangzeng; Fan, Weiliu; Song, Weikuo; Sun, Liming; Zhao, Xian; Zhang, Xiutang","Syntheses, structures, and magnetic properties of six coordination polymers based on 4,5-di(4′-carboxylphenyl)phthalic acid and different bis(imidazole) bridging linkers","CrystEngComm","2014","16","33","7649","","10.1039/C4CE00760C","","","0.71073","MoKα","","0.0674","0.0433","","","0.1093","0.1228","","","","","","0.998","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216343","14.649","0.002","13.47","0.002","24.399","0.004","90","","106.607","0.003","90","","4613.6","1.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H42 N8 Ni O9 -","- C50 H42 N8 Ni O9 -","- C200 H168 N32 Ni4 O36 -","4","1","","Fan, Liming; Gao, Yan; Liu, Guangzeng; Fan, Weiliu; Song, Weikuo; Sun, Liming; Zhao, Xian; Zhang, Xiutang","Syntheses, structures, and magnetic properties of six coordination polymers based on 4,5-di(4′-carboxylphenyl)phthalic acid and different bis(imidazole) bridging linkers","CrystEngComm","2014","16","33","7649","","10.1039/C4CE00760C","","","0.71073","MoKα","","0.0601","0.0409","","","0.0976","0.1079","","","","","","1","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216344","33.6935","0.0018","11.1225","0.0006","27.5859","0.0014","90","","114.027","0.001","90","","9442.2","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H38 Co2 N8 O8 -","- C58 H38 Co2 N8 O8 -","- C464 H304 Co16 N64 O64 -","8","1","","Fan, Liming; Gao, Yan; Liu, Guangzeng; Fan, Weiliu; Song, Weikuo; Sun, Liming; Zhao, Xian; Zhang, Xiutang","Syntheses, structures, and magnetic properties of six coordination polymers based on 4,5-di(4′-carboxylphenyl)phthalic acid and different bis(imidazole) bridging linkers","CrystEngComm","2014","16","33","7649","","10.1039/C4CE00760C","","","0.71073","MoKα","","0.0726","0.0441","","","0.1063","0.124","","","","","","1","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216345","7.7686","0.0011","13.6512","0.0007","19.8766","0.0011","99.25","0.003","94.563","0.003","97.512","0.003","2051.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H80 N12 Ni3 O30 -","- C80 H80 N12 Ni3 O30 -","- C80 H80 N12 Ni3 O30 -","1","0.5","","Fan, Liming; Gao, Yan; Liu, Guangzeng; Fan, Weiliu; Song, Weikuo; Sun, Liming; Zhao, Xian; Zhang, Xiutang","Syntheses, structures, and magnetic properties of six coordination polymers based on 4,5-di(4′-carboxylphenyl)phthalic acid and different bis(imidazole) bridging linkers","CrystEngComm","2014","16","33","7649","","10.1039/C4CE00760C","","","0.71073","MoKα","","0.0836","0.0508","","","0.137","0.1621","","","","","","0.998","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216346","15.591","0.003","16.362","0.003","21.032","0.003","90","","120.491","0.005","90","","4623.3","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H42 Co2 N8 O10 -","- C50 H42 Co2 N8 O10 -","- C200 H168 Co8 N32 O40 -","4","1","","Fan, Liming; Gao, Yan; Liu, Guangzeng; Fan, Weiliu; Song, Weikuo; Sun, Liming; Zhao, Xian; Zhang, Xiutang","Syntheses, structures, and magnetic properties of six coordination polymers based on 4,5-di(4′-carboxylphenyl)phthalic acid and different bis(imidazole) bridging linkers","CrystEngComm","2014","16","33","7649","","10.1039/C4CE00760C","","","0.71073","MoKα","","0.151","0.0661","","","0.131","0.1626","","","","","","0.999","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216347","7.9663","0.0009","11.4723","0.0013","14.0805","0.0017","90","","90","","90","","1286.8","0.3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H10 Ag O6 P -","- C14 H10 Ag O6 P -","- C56 H40 Ag4 O24 P4 -","4","0.5","","Wu, Lin-Fei; Wang, Zhao-Xi; Xue, Chao-Chao; Xiao, Hong-Ping; Li, Ming-Xing","Two 2D sliver complexes with a symmetric and noncentrosymmetric architecture controlled by the metal‒ligand ratio","CrystEngComm","2014","16","25","5627","","10.1039/c4ce00008k","","","0.71073","MoKα","","0.0293","0.0277","","","0.0807","0.082","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216348","18.151","0.003","26.476","0.004","5.9595","0.001","90","","90","","90","","2863.9","0.8","296","2","296","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C14 H8 Ag3 O6 P -","- C14 H8 Ag3 O6 P -","- C112 H64 Ag24 O48 P8 -","8","1","","Wu, Lin-Fei; Wang, Zhao-Xi; Xue, Chao-Chao; Xiao, Hong-Ping; Li, Ming-Xing","Two 2D sliver complexes with a symmetric and noncentrosymmetric architecture controlled by the metal‒ligand ratio","CrystEngComm","2014","16","25","5627","","10.1039/c4ce00008k","","","0.71073","MoKα","","0.0195","0.019","","","0.0534","0.0538","","","","","","1.097","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216349","14.904","0.004","14.159","0.003","21.949","0.005","90","","99.879","0.003","90","","4563.1","1.9","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C102 H106 N10 O9 Zn2 -","- C98 H98 N10 O8 Zn2 -","- C196 H196 N20 O16 Zn4 -","2","1","","Shinozaki, Y.; Yoshikawa, I.; Araki, K.; Sugawa, K.; Otsuki, J.","Control of higher-order structures of zinc chlorophyll coordination polymers","CrystEngComm","2014","16","39","9155","","10.1039/C4CE00861H","","","0.71075","MoKα","","0.1002","0.0787","","","0.2032","0.2271","","","","","","1.021","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216350","10.372","0.007","22.684","0.014","18.375","0.011","90","","104.44","0.01","90","","4187","5","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H39 N5 O3 Zn -","- C45 H39 N5 O3 Zn -","- C180 H156 N20 O12 Zn4 -","4","2","","Shinozaki, Y.; Yoshikawa, I.; Araki, K.; Sugawa, K.; Otsuki, J.","Control of higher-order structures of zinc chlorophyll coordination polymers","CrystEngComm","2014","16","39","9155","","10.1039/C4CE00861H","","","0.71075","MoKα","","0.1955","0.1136","","","0.2384","0.299","","","","","","1.046","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216351","11.019","0.002","12.676","0.003","21.167","0.004","90","","98.13","0.03","90","","2926.8","1.1","200","2","200.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 As3 Co N9 O10 -","- C24 H23.858 As3 Co N9 O10 -","- C96 H95.432 As12 Co4 N36 O40 -","4","1","","Lin, Jian-Di; Clérac, Rodolphe; Rouzières, Mathieu; Venkatesan, Munuswamy; Chimamkpam, Theresa O.; Schmitt, Wolfgang","Exploring the coordination chemistry of bifunctional organoarsonate ligands: syntheses and characterisation of coordination polymers that contain 4-(1,2,4-triazol-4-yl)phenylarsonic acid","CrystEngComm","2014","16","34","7894","","10.1039/C4CE00553H","","","0.71073","MoKα","","0.0298","0.0259","","","0.0681","0.07","","","","","","1.055","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216352","20.454","0.004","7.7512","0.0016","8.4433","0.0017","90","","102.15","0.03","90","","1308.6","0.5","150","2","150.15","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C8 H11 As Cl Cu N3 O5 -","- C8 H7 As Cl Cu N3 O5 -","- C32 H28 As4 Cl4 Cu4 N12 O20 -","4","0.5","","Lin, Jian-Di; Clérac, Rodolphe; Rouzières, Mathieu; Venkatesan, Munuswamy; Chimamkpam, Theresa O.; Schmitt, Wolfgang","Exploring the coordination chemistry of bifunctional organoarsonate ligands: syntheses and characterisation of coordination polymers that contain 4-(1,2,4-triazol-4-yl)phenylarsonic acid","CrystEngComm","2014","16","34","7894","","10.1039/C4CE00553H","","","0.71073","MoKα","","0.0601","0.05","","","0.1663","0.1736","","","","","","0.999","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216353","8.5378","0.0017","17.151","0.003","12.69","0.003","90","","96.98","0.03","90","","1844.4","0.7","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 As2 Mn N6 O6 -","- C16 H14 As2 Mn N6 O6 -","- C64 H56 As8 Mn4 N24 O24 -","4","1","","Lin, Jian-Di; Clérac, Rodolphe; Rouzières, Mathieu; Venkatesan, Munuswamy; Chimamkpam, Theresa O.; Schmitt, Wolfgang","Exploring the coordination chemistry of bifunctional organoarsonate ligands: syntheses and characterisation of coordination polymers that contain 4-(1,2,4-triazol-4-yl)phenylarsonic acid","CrystEngComm","2014","16","34","7894","","10.1039/C4CE00553H","","","0.71073","MoKα","","0.0296","0.0257","","","0.0598","0.0615","","","","","","1.037","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216354","8.6818","0.0005","17.1961","0.0009","12.8662","0.0007","90","","96.906","0.001","90","","1906.9","0.18","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 As2 Cd N6 O6 -","- C16 H14 As2 Cd N6 O6 -","- C64 H56 As8 Cd4 N24 O24 -","4","1","","Lin, Jian-Di; Clérac, Rodolphe; Rouzières, Mathieu; Venkatesan, Munuswamy; Chimamkpam, Theresa O.; Schmitt, Wolfgang","Exploring the coordination chemistry of bifunctional organoarsonate ligands: syntheses and characterisation of coordination polymers that contain 4-(1,2,4-triazol-4-yl)phenylarsonic acid","CrystEngComm","2014","16","34","7894","","10.1039/C4CE00553H","","","0.71073","MoKα","","0.0221","0.0206","","","0.0513","0.0524","","","","","","1.029","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216355","6.012","0.0009","21.594","0.003","8.9646","0.0009","90","","126.135","0.007","90","","939.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 As N3 O3 -","- C8 H8 As N3 O3 -","- C32 H32 As4 N12 O12 -","4","1","","Lin, Jian-Di; Clérac, Rodolphe; Rouzières, Mathieu; Venkatesan, Munuswamy; Chimamkpam, Theresa O.; Schmitt, Wolfgang","Exploring the coordination chemistry of bifunctional organoarsonate ligands: syntheses and characterisation of coordination polymers that contain 4-(1,2,4-triazol-4-yl)phenylarsonic acid","CrystEngComm","2014","16","34","7894","","10.1039/C4CE00553H","","","0.71073","MoKα","","0.0601","0.0593","","","0.1344","0.1348","","","","","","1.078","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216356","20.875","0.004","7.6129","0.0015","8.5776","0.0017","90","","101.41","0.03","90","","1336.2","0.5","150","2","150","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C8 H7 As Cl Co N3 O5 -","- C8 H7 As Cl Co N3 O5 -","- C32 H28 As4 Cl4 Co4 N12 O20 -","4","0.5","","Lin, Jian-Di; Clérac, Rodolphe; Rouzières, Mathieu; Venkatesan, Munuswamy; Chimamkpam, Theresa O.; Schmitt, Wolfgang","Exploring the coordination chemistry of bifunctional organoarsonate ligands: syntheses and characterisation of coordination polymers that contain 4-(1,2,4-triazol-4-yl)phenylarsonic acid","CrystEngComm","2014","16","34","7894","","10.1039/C4CE00553H","","","0.71073","MoKα","","0.0366","0.0365","","","0.1015","0.1016","","","","","","1.075","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216357","8.5117","0.0003","15.9674","0.0005","20.4293","0.0006","90","","97.588","0.002","90","","2752.23","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Zn","","","- C52 H52 Cl6 N4 O8 Zn2 -","- C52 H52 Cl6 N4 O8 Zn2 -","- C104 H104 Cl12 N8 O16 Zn4 -","2","0.5","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","","","0.0763","0.0518","","","0.1497","0.1617","","","","","","1.058","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216358","17.5218","0.0008","16.1106","0.0007","20.7074","0.0009","90","","100.232","0.003","90","","5752.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H60 Cl6 N4 O10 Zn2 -","- C56 H60 Cl6 N4 O10 Zn2 -","- C224 H240 Cl24 N16 O40 Zn8 -","4","1","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.2352","0.0697","","","0.121","0.1682","","","","","","0.938","","","","has coordinates,has disorder","301864","2025-08-22","15:14:35",""
"7216359","8.4959","0.0001","16.3216","0.0002","20.7112","0.0003","90","","97.903","0.001","90","","2844.68","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H56 Br6 N4 O9 Zn2 -","- C53 H52 Br6 N4 O9 Zn2 -","- C106 H104 Br12 N8 O18 Zn4 -","2","0.5","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.2136","0.0703","","","0.1362","0.1776","","","","","","0.966","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216360","17.5924","0.0002","16.3095","0.0002","21.257","0.0002","90","","100.799","0.001","90","","5991.12","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H60 Br6 N4 O10 Zn2 -","- C56 H60 Br6 N4 O10 Zn2 -","- C224 H240 Br24 N16 O40 Zn8 -","4","1","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.0992","0.047","","","0.0947","0.1104","","","","","","1.041","","","","has coordinates,has disorder","301864","2025-08-22","15:14:35",""
"7216361","11.1323","0.0002","20.1613","0.0003","28.3599","0.0005","91.835","0.001","100.902","0.001","92.955","0.001","6236.29","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H67.5 Br4 Cd Cl1.5 N4 O12 -","- C58 H64.5 Br4 Cd Cl1.5 N4 O12 -","- C232 H258 Br16 Cd4 Cl6 N16 O48 -","4","2","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.2281","0.0824","","","0.1918","0.2483","","","","","","1.003","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216362","18.905","0.0002","17.3064","0.0001","31.5699","0.0003","90","","90","","90","","10329","0.16","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H56 Br4 Cd N4 O10 -","- C48 H56 Br4 Cd N4 O10 -","- C384 H448 Br32 Cd8 N32 O80 -","8","1","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.097","0.042","","","0.0729","0.0878","","","","","","1.005","","","","has coordinates,has disorder","301864","2025-08-22","15:14:35",""
"7216363","11.3078","0.0004","11.4735","0.0004","15.1493","0.0005","69.17","0.002","77.757","0.002","72.357","0.002","1738.56","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H68 Cd2 I6 N4 O12 -","- C58 H60 Cd2 I6 N4 O12 -","- C58 H60 Cd2 I6 N4 O12 -","1","0.5","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.0657","0.0373","","","0.0894","0.1","","","","","","1.074","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216364","18.7667","0.0002","18.3528","0.0002","31.9417","0.0004","90","","90","","90","","11001.4","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H56 Cd I4 N4 O10 -","- C48 H56 Cd I4 N4 O10 -","- C384 H448 Cd8 I32 N32 O80 -","8","1","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.1779","0.082","","","0.1412","0.1701","","","","","","1.016","","","","has coordinates,has disorder","301864","2025-08-22","15:14:35",""
"7216365","9.8203","0.0001","11.5983","0.0002","12.8782","0.0002","94.835","0.001","106.333","0.001","103.139","0.001","1353.42","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H52 Br6 Hg2 N4 O8 -","- C52 H52 Br6 Hg2 N4 O8 -","- C52 H52 Br6 Hg2 N4 O8 -","1","0.5","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.0275","0.0226","","","0.0479","0.0495","","","","","","1.011","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216366","10.9943","0.0002","15.1689","0.0002","15.5408","0.0003","111.58","0.001","101.951","0.001","104.728","0.001","2196.87","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C77 H80 Br12 Hg4 N8 O11 -","- C77 H76 Br12 Hg4 N8 O11 -","- C77 H76 Br12 Hg4 N8 O11 -","1","0.5","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.1136","0.0476","","","0.0584","0.0692","","","","","","1.066","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216367","10.039","0.001","11.7664","0.0012","13.0968","0.0013","93.757","0.006","106.866","0.006","105.202","0.007","1411.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H52 Hg2 I6 N4 O8 -","- C52 H52 Hg2 I6 N4 O8 -","- C52 H52 Hg2 I6 N4 O8 -","1","0.5","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.1297","0.084","","","0.252","0.291","","","","","","1.058","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216368","11.3555","0.0002","12.1082","0.0002","14.2423","0.0003","103.372","0.001","97.008","0.001","115.665","0.001","1661.16","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H72 Hg2 I6 N4 O13 -","- C59 H68 Hg2 I6 N4 O13 -","- C59 H68 Hg2 I6 N4 O13 -","1","0.5","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.034","0.0302","","","0.1145","0.1197","","","","","","1.009","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216369","10.2446","0.0009","16.4684","0.0014","14.9546","0.0013","90","","90","","90","","2523","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 Cd I4 N4 -","- C20 H16 Cd I4 N4 -","- C80 H64 Cd4 I16 N16 -","4","1","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.1342","0.0418","","","0.0893","0.1345","","","","","","0.555","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216370","28.1847","0.0003","9.0482","0.0001","14.2578","0.0002","90","","98.699","0.001","90","","3594.21","0.08","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H28 I6 N4 O3 Zn2 -","- C23 H25 I6 N4 O3 Zn2 -","- C92 H100 I24 N16 O12 Zn8 -","4","0.5","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.0846","0.0678","","","0.1323","0.1411","","","","","","1.069","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216371","13.4688","0.0012","13.4688","0.0012","10.4961","0.0013","90","","90","","120","","1649","0.3","173","2","173","2","","","","","","","","6","P -3","-P 3","147","","","","- C78 H78 Cl2 Mn N12 O8 -","- C78 H78 Cl2 Mn N12 O8 -","- C78 H78 Cl2 Mn N12 O8 -","1","0.166667","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Bi, Yue; Yu, Jie; Wang, Xiu-Guang","Preparation, crystal structures and conformations of six complexes based on 1,4-bis(benzimidazol-1-ylmethyl)-2,3,5,6-tetramethylbenzene","CrystEngComm","2014","16","30","7023","","10.1039/C4CE00215F","","","0.71073","MoKα","","0.0791","0.0478","","","0.0919","0.1039","","","","","","1.025","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216372","12.608","0.002","13.831","0.003","17.334","0.002","90","","119.575","0.009","90","","2628.9","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Cu N4 O7 S -","- C26 H32 Cu N4 O7 S -","- C104 H128 Cu4 N16 O28 S4 -","4","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Bi, Yue; Yu, Jie; Wang, Xiu-Guang","Preparation, crystal structures and conformations of six complexes based on 1,4-bis(benzimidazol-1-ylmethyl)-2,3,5,6-tetramethylbenzene","CrystEngComm","2014","16","30","7023","","10.1039/C4CE00215F","","","0.71073","MoKα","","0.0776","0.0515","","","0.1208","0.1366","","","","","","1.028","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216373","9.144","0.004","9.914","0.004","10.981","0.005","113.235","0.006","104.079","0.007","92.301","0.007","876.8","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H44 Co N4 O8 -","- C34 H36 Co N4 O8 -","- C34 H36 Co N4 O8 -","1","0.5","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Bi, Yue; Yu, Jie; Wang, Xiu-Guang","Preparation, crystal structures and conformations of six complexes based on 1,4-bis(benzimidazol-1-ylmethyl)-2,3,5,6-tetramethylbenzene","CrystEngComm","2014","16","30","7023","","10.1039/C4CE00215F","","","0.71073","MoKα","","0.0766","0.0633","","","0.1699","0.1833","","","","","","1.049","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216374","16.62","0.003","9.5294","0.0016","19.384","0.004","90","","104.236","0.005","90","","2975.7","1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14.5 H16.5 Co0.5 N3.5 O3.5 -","- C14.5 H16.5 Co0.5 N3.5 O3.5 -","- C116 H132 Co4 N28 O28 -","8","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Bi, Yue; Yu, Jie; Wang, Xiu-Guang","Preparation, crystal structures and conformations of six complexes based on 1,4-bis(benzimidazol-1-ylmethyl)-2,3,5,6-tetramethylbenzene","CrystEngComm","2014","16","30","7023","","10.1039/C4CE00215F","","","0.71073","MoKα","","0.0857","0.0715","","","0.2381","0.2543","","","","","","1.027","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216375","16.651","0.005","9.66","0.003","19.921","0.007","90","","105.878","0.005","90","","3082","1.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H33 Cd N7 O7 -","- C29 H33 Cd N7 O7 -","- C116 H132 Cd4 N28 O28 -","4","0.5","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Bi, Yue; Yu, Jie; Wang, Xiu-Guang","Preparation, crystal structures and conformations of six complexes based on 1,4-bis(benzimidazol-1-ylmethyl)-2,3,5,6-tetramethylbenzene","CrystEngComm","2014","16","30","7023","","10.1039/C4CE00215F","","","0.71073","MoKα","","0.0441","0.0353","","","0.0737","0.0774","","","","","","1.006","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216376","16.271","0.003","9.664","0.003","19.485","0.005","90","","103.811","0.006","90","","2975.3","1.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H33 Cu N7 O7 -","- C29 H33 Cu N7 O7 -","- C116 H132 Cu4 N28 O28 -","4","0.5","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Bi, Yue; Yu, Jie; Wang, Xiu-Guang","Preparation, crystal structures and conformations of six complexes based on 1,4-bis(benzimidazol-1-ylmethyl)-2,3,5,6-tetramethylbenzene","CrystEngComm","2014","16","30","7023","","10.1039/C4CE00215F","","","0.71073","MoKα","","0.0777","0.0512","","","0.123","0.1367","","","","","","1.061","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216382","12.937","0.008","11.15","0.007","17.445","0.008","90","","126.8","0.03","90","","2015","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H46 Co N6 O10 -","- C42 H46 Co N6 O10 -","- C84 H92 Co2 N12 O20 -","2","0.5","","Yuan, Wei-Guan; Xiong, Fang; Zhang, Hong-Ling; Tang, Wei; Zhang, Shu-Fang; He, Zhan; Jing, Lin-Hai; Qin, Da-Bin","Syntheses, structures and luminescent properties of six divalent metal terephthalate coordination polymers based on three new flexible bis(imidazole) ligands","CrystEngComm","2014","16","33","7701","","10.1039/C4CE00635F","","","0.71073","MoKα","","0.1122","0.0694","","","0.1086","0.1213","","","","","","1.01","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216383","9.753","0.006","14.101","0.008","14.74","0.008","116.334","0.01","108.889","0.01","90.034","0.01","1693.9","1.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Co N4 O8 -","- C36 H28 Co N4 O8 -","- C72 H56 Co2 N8 O16 -","2","1","","Yuan, Wei-Guan; Xiong, Fang; Zhang, Hong-Ling; Tang, Wei; Zhang, Shu-Fang; He, Zhan; Jing, Lin-Hai; Qin, Da-Bin","Syntheses, structures and luminescent properties of six divalent metal terephthalate coordination polymers based on three new flexible bis(imidazole) ligands","CrystEngComm","2014","16","33","7701","","10.1039/C4CE00635F","","","0.71073","MoKα","","0.1734","0.1153","","","0.237","0.2598","","","","","","1.069","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216384","18.724","0.007","19.302","0.007","20.004","0.008","90","","90","","90","","7230","5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H37 N5 O8 Zn -","- C39 H35 N5 O8 Zn -","- C312 H280 N40 O64 Zn8 -","8","1","","Yuan, Wei-Guan; Xiong, Fang; Zhang, Hong-Ling; Tang, Wei; Zhang, Shu-Fang; He, Zhan; Jing, Lin-Hai; Qin, Da-Bin","Syntheses, structures and luminescent properties of six divalent metal terephthalate coordination polymers based on three new flexible bis(imidazole) ligands","CrystEngComm","2014","16","33","7701","","10.1039/C4CE00635F","","","0.71073","MoKα","","0.1127","0.0534","","","0.1175","0.1462","","","","","","1.004","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216385","16.982","0.004","10.725","0.002","22.521","0.004","90","","128.552","0.011","90","","3207.8","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H33 Cd N5 O8 -","- C31 H33 Cd N5 O8 -","- C124 H132 Cd4 N20 O32 -","4","1","","Yuan, Wei-Guan; Xiong, Fang; Zhang, Hong-Ling; Tang, Wei; Zhang, Shu-Fang; He, Zhan; Jing, Lin-Hai; Qin, Da-Bin","Syntheses, structures and luminescent properties of six divalent metal terephthalate coordination polymers based on three new flexible bis(imidazole) ligands","CrystEngComm","2014","16","33","7701","","10.1039/C4CE00635F","","","0.71073","MoKα","","0.0465","0.0335","","","0.0779","0.0849","","","","","","1.027","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216386","11.473","0.003","11.473","0.003","19.268","0.005","90","","90","","120","","2196.4","1","296","2","296","2","","","","","","","","5","P 32","P 32","145","","","","- C28 H30 Co N4 O9 -","- C28 H24 Co N4 O9 -","- C84 H72 Co3 N12 O27 -","3","1","","Yuan, Wei-Guan; Xiong, Fang; Zhang, Hong-Ling; Tang, Wei; Zhang, Shu-Fang; He, Zhan; Jing, Lin-Hai; Qin, Da-Bin","Syntheses, structures and luminescent properties of six divalent metal terephthalate coordination polymers based on three new flexible bis(imidazole) ligands","CrystEngComm","2014","16","33","7701","","10.1039/C4CE00635F","","","0.71073","MoKα","","0.1033","0.0778","","","0.2014","0.2195","","","","","","1.1","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216387","9.779","0.004","13.952","0.006","21.144","0.009","92.178","0.009","96.238","0.009","109.309","0.008","2698","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 N8 O15 Zn2 -","- C56 H48 N8 O15 Zn2 -","- C112 H96 N16 O30 Zn4 -","2","1","","Yuan, Wei-Guan; Xiong, Fang; Zhang, Hong-Ling; Tang, Wei; Zhang, Shu-Fang; He, Zhan; Jing, Lin-Hai; Qin, Da-Bin","Syntheses, structures and luminescent properties of six divalent metal terephthalate coordination polymers based on three new flexible bis(imidazole) ligands","CrystEngComm","2014","16","33","7701","","10.1039/C4CE00635F","","","0.71073","MoKα","","0.1358","0.0613","","","0.1176","0.1444","","","","","","1.018","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216388","19.088","0.005","4.672","0.003","12.691","0.005","90","","115.56","0.03","90","","1021","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H18 N4 O3 -","- C8 H18 N4 O3 -","- C32 H72 N16 O12 -","4","0.5","","Owczarek, Magdalena; Majerz, Irena; Jakubas, Ryszard","Weak hydrogen and dihydrogen bonds instead of strong N–H⋯O bonds of a tricyclic [1,2,4,5]-tetrazine derivative. Single-crystal X-ray diffraction, theoretical calculations and Hirshfeld surface analysis","CrystEngComm","2014","16","33","7638","","10.1039/C4CE00571F","","","0.71073","MoKα","","0.0432","0.0372","","","0.1083","0.1116","","","","","","1.068","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216389","9.789","0.005","6.441","0.003","7.862","0.004","90","","112.18","0.05","90","","459","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 N4 O2 -","- C8 H16 N4 O2 -","- C16 H32 N8 O4 -","2","0.5","","Owczarek, Magdalena; Majerz, Irena; Jakubas, Ryszard","Weak hydrogen and dihydrogen bonds instead of strong N–H⋯O bonds of a tricyclic [1,2,4,5]-tetrazine derivative. Single-crystal X-ray diffraction, theoretical calculations and Hirshfeld surface analysis","CrystEngComm","2014","16","33","7638","","10.1039/C4CE00571F","","","0.71073","MoKα","","0.0477","0.0434","","","0.13","0.1331","","","","","","1.132","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216390","11.4423","0.0003","13.6677","0.0004","21.4571","0.0005","90","","107.676","0.001","90","","3197.25","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 N4 O9 Zn -","- C36 H28 N4 O9 Zn -","- C144 H112 N16 O36 Zn4 -","4","1","","Zhang, Xiao-min; Ning, Yang; Meng, Li-na; Li, Jian-qiang; Luo, Ming-biao; Luo, Feng","Constructing various metal‒organic frameworks by mixed pyridine‒acylamide and carboxylate ligands: ring-like or helical building blocks","CrystEngComm","2014","16","32","7440","","10.1039/C4CE00796D","","","0.71073","MoKα","","0.0459","0.0419","","","0.1001","0.1026","","","","","","1.136","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216391","7.3644","0.0018","20.505","0.005","18.269","0.004","90","","101.628","0.004","90","","2702.1","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 N4 O7 Zn -","- C30 H22 N4 O7 Zn -","- C120 H88 N16 O28 Zn4 -","4","1","","Zhang, Xiao-min; Ning, Yang; Meng, Li-na; Li, Jian-qiang; Luo, Ming-biao; Luo, Feng","Constructing various metal‒organic frameworks by mixed pyridine‒acylamide and carboxylate ligands: ring-like or helical building blocks","CrystEngComm","2014","16","32","7440","","10.1039/C4CE00796D","","","0.71073","MoKα","","0.061","0.0485","","","0.1296","0.1391","","","","","","1.096","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216392","27.8066","0.0004","10.0464","0.0001","22.2781","0.0003","90","","109.236","0.001","90","","5876.06","0.13","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H23 N4 O10 Zn -","- C31 H23 N4 O10 Zn -","- C248 H184 N32 O80 Zn8 -","8","1","","Zhang, Xiao-min; Ning, Yang; Meng, Li-na; Li, Jian-qiang; Luo, Ming-biao; Luo, Feng","Constructing various metal‒organic frameworks by mixed pyridine‒acylamide and carboxylate ligands: ring-like or helical building blocks","CrystEngComm","2014","16","32","7440","","10.1039/C4CE00796D","","","0.71073","MoKα","","0.0429","0.0374","","","0.0927","0.0976","","","","","","1.082","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216393","9.4834","0.0001","10.6376","0.0002","14.9133","0.0002","95.191","0.001","103.417","0.001","96.864","0.001","1441.99","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 N4 O7 Zn -","- C34 H24 N4 O7 Zn -","- C68 H48 N8 O14 Zn2 -","2","1","","Zhang, Xiao-min; Ning, Yang; Meng, Li-na; Li, Jian-qiang; Luo, Ming-biao; Luo, Feng","Constructing various metal‒organic frameworks by mixed pyridine‒acylamide and carboxylate ligands: ring-like or helical building blocks","CrystEngComm","2014","16","32","7440","","10.1039/C4CE00796D","","","0.71073","MoKα","","0.0423","0.0374","","","0.0875","0.0907","","","","","","1.075","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216394","13.2139","0.0005","21.7434","0.0008","16.7754","0.0006","90","","127.107","0.002","90","","3843.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Cd N4 O7 -","- C34 H24 Cd N4 O7 -","- C136 H96 Cd4 N16 O28 -","4","1","","Zhang, Xiao-min; Ning, Yang; Meng, Li-na; Li, Jian-qiang; Luo, Ming-biao; Luo, Feng","Constructing various metal‒organic frameworks by mixed pyridine‒acylamide and carboxylate ligands: ring-like or helical building blocks","CrystEngComm","2014","16","32","7440","","10.1039/C4CE00796D","","","0.71073","MoKα","","0.0331","0.0301","","","0.0756","0.078","","","","","","1.048","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216395","11.358","0.0002","18.7948","0.0004","13.6608","0.0003","90","","100.438","0.001","90","","2867.93","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 Cd N4 O7 -","- C34 H24 Cd N4 O7 -","- C136 H96 Cd4 N16 O28 -","4","1","","Zhang, Xiao-min; Ning, Yang; Meng, Li-na; Li, Jian-qiang; Luo, Ming-biao; Luo, Feng","Constructing various metal‒organic frameworks by mixed pyridine‒acylamide and carboxylate ligands: ring-like or helical building blocks","CrystEngComm","2014","16","32","7440","","10.1039/C4CE00796D","","","0.71073","MoKα","","0.0361","0.0295","","","0.0615","0.0664","","","","","","1.137","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216396","10.0055","0.0005","10.2265","0.0005","14.5845","0.0008","90.836","0.003","93.894","0.003","90.72","0.003","1488.56","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H26 Cd N4 O11 -","- C31 H26 Cd N4 O11 -","- C62 H52 Cd2 N8 O22 -","2","1","","Zhang, Xiao-min; Ning, Yang; Meng, Li-na; Li, Jian-qiang; Luo, Ming-biao; Luo, Feng","Constructing various metal‒organic frameworks by mixed pyridine‒acylamide and carboxylate ligands: ring-like or helical building blocks","CrystEngComm","2014","16","32","7440","","10.1039/C4CE00796D","","","0.71073","MoKα","","0.05","0.0383","","","0.0741","0.0866","","","","","","1.118","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216403","10.1012","0.001","15.8278","0.0016","27.754","0.003","90","","92.249","0.002","90","","4433.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H44 Co2 N4 O12 -","- C43 H36 Co2 N4 O12 -","- C172 H144 Co8 N16 O48 -","4","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan; Zhao, Lun; Liu, Chunming","A series of coordination polymers assembled from 9,9-dimethylfluorene-2,7-dicarboxylic acid and various flexible bis(imidazole) ligands: synthesis, structures and properties","CrystEngComm","2014","16","32","7459","","10.1039/C4CE00664J","","","0.71073","MoKα","","0.0923","0.0487","","","0.1181","0.1398","","","","","","0.994","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216404","9.5048","0.0008","26.132","0.002","16.8487","0.0014","90","","99.253","0.002","90","","4130.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H38 N4 O9 Zn2 -","- C43 H36 N4 O9 Zn2 -","- C172 H144 N16 O36 Zn8 -","4","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan; Zhao, Lun; Liu, Chunming","A series of coordination polymers assembled from 9,9-dimethylfluorene-2,7-dicarboxylic acid and various flexible bis(imidazole) ligands: synthesis, structures and properties","CrystEngComm","2014","16","32","7459","","10.1039/C4CE00664J","","","0.71073","MoKα","","0.1111","0.0539","","","0.1432","0.1747","","","","","","1.004","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216405","25.584","0.007","11.903","0.003","15.203","0.004","90","","120.107","0.004","90","","4005.1","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H40 Co2 N4 O9 -","- C44 H32 Co2 N4 O9 -","- C176 H128 Co8 N16 O36 -","4","0.5","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan; Zhao, Lun; Liu, Chunming","A series of coordination polymers assembled from 9,9-dimethylfluorene-2,7-dicarboxylic acid and various flexible bis(imidazole) ligands: synthesis, structures and properties","CrystEngComm","2014","16","32","7459","","10.1039/C4CE00664J","","","0.71073","MoKα","","0.0541","0.0429","","","0.1124","0.1222","","","","","","0.871","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216406","14.0828","0.0008","23.9967","0.0012","37.1516","0.0019","90","","90","","90","","12555","1.1","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C63 H75 N11 O12 Zn2 -","- C63 H64 N11 O12 Zn2 -","- C504 H512 N88 O96 Zn16 -","8","","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan; Zhao, Lun; Liu, Chunming","A series of coordination polymers assembled from 9,9-dimethylfluorene-2,7-dicarboxylic acid and various flexible bis(imidazole) ligands: synthesis, structures and properties","CrystEngComm","2014","16","32","7459","","10.1039/C4CE00664J","","","0.71073","MoKα","","0.1154","0.0674","","","0.1779","0.207","","","","","","1.056","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216407","21.096","0.012","10.897","0.006","18.875","0.011","90","","90","","90","","4339","4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H19 N2 O4 Zn -","- C22 H15 N2 O4 Zn -","- C176 H120 N16 O32 Zn8 -","8","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan; Zhao, Lun; Liu, Chunming","A series of coordination polymers assembled from 9,9-dimethylfluorene-2,7-dicarboxylic acid and various flexible bis(imidazole) ligands: synthesis, structures and properties","CrystEngComm","2014","16","32","7459","","10.1039/C4CE00664J","","","0.71073","MoKα","","0.1534","0.075","","","0.1514","0.1844","","","","","","1.029","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216408","11.6756","0.0013","14.7495","0.0016","16.4661","0.0018","109.353","0.002","101.206","0.002","108.562","0.002","2389.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H48 N6 Ni2 O11 -","- C49 H32 N6 Ni2 O11 -","- C98 H64 N12 Ni4 O22 -","2","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan; Zhao, Lun; Liu, Chunming","A series of coordination polymers assembled from 9,9-dimethylfluorene-2,7-dicarboxylic acid and various flexible bis(imidazole) ligands: synthesis, structures and properties","CrystEngComm","2014","16","32","7459","","10.1039/C4CE00664J","","","0.71073","MoKα","","0.0905","0.057","","","0.1715","0.1894","","","","","","0.971","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216409","21.1497","0.0019","10.9266","0.0009","18.6978","0.0016","90","","90","","90","","4321","0.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H19 N2 O4 Zn -","- C22 H15 N2 O4 Zn -","- C176 H120 N16 O32 Zn8 -","8","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan; Zhao, Lun; Liu, Chunming","A series of coordination polymers assembled from 9,9-dimethylfluorene-2,7-dicarboxylic acid and various flexible bis(imidazole) ligands: synthesis, structures and properties","CrystEngComm","2014","16","32","7459","","10.1039/C4CE00664J","","","0.71073","MoKα","","0.1164","0.0513","","","0.1206","0.1486","","","","","","1.002","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216410","5.9041","0.0008","5.9041","0.0008","10.499","0.002","90","","90","","90","","365.98","0.1","93","2","93","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- Ag3 Ga3 Se8 Si -","- Ag3 Ga3 Se8 Si -","- Ag3 Ga3 Se8 Si -","1","0.0625","","Mei, Dajiang; Gong, Pifu; Lin, Zheshuai; Feng, Kai; Yao, Jiyong; Huang, Fuqiang; Wu, Yicheng","Ag3Ga3SiSe8: a new infrared nonlinear optical material with a chalcopyrite structure","CrystEngComm","2014","16","30","6836","","10.1039/C4CE00817K","","","0.71073","MoKα","","0.0315","0.0273","","","0.0547","0.0558","","","","","","1.134","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216411","23.933","0.003","18.5408","0.0016","22.9605","0.0017","90","","108.96","0.011","90","","9635.7","1.8","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C62 H102 Mn6 N4 O24 -","- C62 H102 Mn6 N4 O24 -","- C248 H408 Mn24 N16 O96 -","4","1","","Malaestean, Iurie L.; Ellern, Arkady; van Leusen, Jan; Kravtsov, Victor C.; Kögerler, Paul; Baca, Svetlana G.","Cluster-based networks: assembly of a (4,4) layer and a rare T-shaped bilayer from [MnIII2MnII4O2(RCOO)10] coordination clusters","CrystEngComm","2014","16","29","6523","","10.1039/c4ce00504j","","","0.71073","MoKα","","0.1807","0.0766","","","0.1664","0.1876","","","","","","1.004","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216412","29.157","0.003","26.193","0.002","13.1814","0.0012","90","","90","","90","","10066.8","1.6","173","2","173","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C39 H61 Mn3 N2 O12 S2 -","- C39 H61 Mn3 N2 O12 S2 -","- C312 H488 Mn24 N16 O96 S16 -","8","1","","Malaestean, Iurie L.; Ellern, Arkady; van Leusen, Jan; Kravtsov, Victor C.; Kögerler, Paul; Baca, Svetlana G.","Cluster-based networks: assembly of a (4,4) layer and a rare T-shaped bilayer from [MnIII2MnII4O2(RCOO)10] coordination clusters","CrystEngComm","2014","16","29","6523","","10.1039/c4ce00504j","","","0.71073","MoKα","","0.0696","0.0515","","","0.1535","0.1711","","","","","","1.114","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216413","27.93","0.008","12.816","0.003","48.811","0.014","90","","95.693","0.007","90","","17386","8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H112 Mn6 N4 O26 S4 -","- C64 H94 Mn6 N4 O23 S4 -","- C512 H752 Mn48 N32 O184 S32 -","8","1","","Malaestean, Iurie L.; Ellern, Arkady; van Leusen, Jan; Kravtsov, Victor C.; Kögerler, Paul; Baca, Svetlana G.","Cluster-based networks: assembly of a (4,4) layer and a rare T-shaped bilayer from [MnIII2MnII4O2(RCOO)10] coordination clusters","CrystEngComm","2014","16","29","6523","","10.1039/c4ce00504j","","","0.71073","MoKα","","0.1293","0.1059","","","0.2406","0.2507","","","","","","1.138","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216414","50.85","0.016","15.26","0.005","14.006","0.004","90","","90","","90","","10868","6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","MeBTB","1,3,5-Tris(2,6-dimethyl-4-carboxyphenyl)benzene + 2*1,1,2,2-tetrachloroethane","","- C37 H34 Cl8 O6 -","- C37 H34 Cl8 O6 -","- C296 H272 Cl64 O48 -","8","1","","Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-assembly of sterically-rigidified 3-connecting benzenetribenzoic acid into (6,3) and (3,3) nets and stabilization of water channel in the crystal lattice","CrystEngComm","2014","16","22","4853","","10.1039/c3ce42515k","","","0.71073","MoKα","","0.2673","0.1833","","","0.4279","0.4562","","","","","","1.672","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216415","50.85","0.016","15.26","0.005","14.006","0.004","90","","90","","90","","10868","6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","MeBTB","1,3,5-Tris(2,6-dimethyl-4-carboxyphenyl)benzene + 2*1,1,2,2-tetrachloroethane","","- C37 H34 Cl8 O6 -","- C33 H30 O6 -","- C264 H240 O48 -","8","1","","Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-assembly of sterically-rigidified 3-connecting benzenetribenzoic acid into (6,3) and (3,3) nets and stabilization of water channel in the crystal lattice","CrystEngComm","2014","16","22","4853","","10.1039/c3ce42515k","","","0.71073","MoKα","","0.1634","0.0817","","","0.1768","0.197","","","","","","1.014","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216416","25.35","0.004","25.35","0.004","18.979","0.004","90","","90","","120","","10562","3","293","2","293","2","","","","","","","","3","P 61","P 61","169","2*1,3,5-Tris(2,6-dimethyl-4-carboxyphenyl)benzene+2*Dimethoxyethane+2*H2O","","","- C74 H84 O18 -","- C74 H80 O18 -","- C444 H480 O108 -","6","1","","Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-assembly of sterically-rigidified 3-connecting benzenetribenzoic acid into (6,3) and (3,3) nets and stabilization of water channel in the crystal lattice","CrystEngComm","2014","16","22","4853","","10.1039/c3ce42515k","","","0.71073","MoKα","","0.1038","0.0728","","","0.1768","0.1948","","","","","","1.06","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216417","8.6821","0.0008","29.796","0.003","12.8045","0.0012","90","","96.432","0.002","90","","3291.6","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","1,3,5-Tris(2,6-dimethyl-4-carboxyphenyl)benzene + 2*dibenzocrown + 1.5K+","","","- C73 H80 K1.5 O20 -","- C73 H75 K1.5 O20 -","- C146 H150 K3 O40 -","2","1","","Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-assembly of sterically-rigidified 3-connecting benzenetribenzoic acid into (6,3) and (3,3) nets and stabilization of water channel in the crystal lattice","CrystEngComm","2014","16","22","4853","","10.1039/c3ce42515k","","","0.71073","MoKα","","0.1106","0.071","","","0.138","0.1556","","","","","","1.073","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216418","13.3641","0.0007","13.3641","0.0007","45.517","0.003","90","","90","","120","","7040.2","0.7","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C90 H80 F6 N14 O24 Si -","- C90 H80 F6 N14 O24 Si -","- C270 H240 F18 N42 O72 Si3 -","3","0.166667","","Basu, Arghya; Chutia, Romen; Das, Gopal","Dual modes of binding on the hexafluorosilicate anion by a C3v symmetric flexible tripodal amide ligand in solid state","CrystEngComm","2014","16","22","4886","","10.1039/c4ce00529e","","","0.71073","MoKα","","0.1499","0.0987","","","0.2801","0.314","","","","","","1.057","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216419","13.1197","0.0005","13.1321","0.0006","15.7929","0.0006","108.655","0.002","105.033","0.002","92.632","0.002","2464.94","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H102 F6 N16 O30 Si -","- C96 H102 F6 N16 O30 Si -","- C96 H102 F6 N16 O30 Si -","1","0.5","","Basu, Arghya; Chutia, Romen; Das, Gopal","Dual modes of binding on the hexafluorosilicate anion by a C3v symmetric flexible tripodal amide ligand in solid state","CrystEngComm","2014","16","22","4886","","10.1039/c4ce00529e","","","0.71073","MoKα","","0.1322","0.0608","","","0.1524","0.1831","","","","","","0.83","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216420","20.9184","0.001","10.4771","0.0006","7.8468","0.0004","90","","95.79","0.004","90","","1710.96","0.16","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Furosemide sodium salt trihydrate","","","- C12 H16 Cl N2 Na O8 S -","- C12 H16 Cl N2 Na O8 S -","- C48 H64 Cl4 N8 Na4 O32 S4 -","4","1","","Rao Khandavilli, U. B.; Gangavaram, Swarupa; Rajesh Goud, N.; Cherukuvada, Suryanarayan; Raghavender, S.; Nangia, Ashwini; Manjunatha, Sulur G.; Nambiar, Sudhir; Pal, Sharmistha","High solubility crystalline hydrates of Na and K furosemide salts","CrystEngComm","2014","16","22","4842","","10.1039/c3ce42347f","","","0.71073","MoKα","","0.0922","0.0476","","","0.0808","0.0901","","","","","","0.92","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216421","18.8967","0.001","11.1734","0.0006","7.3056","0.0004","90","","91.346","0.005","90","","1542.08","0.14","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Furosemide potassuium salt monohydrate","","","- C12 H12 Cl K N2 O6 S -","- C12 H12 Cl K N2 O6 S -","- C48 H48 Cl4 K4 N8 O24 S4 -","4","1","","Rao Khandavilli, U. B.; Gangavaram, Swarupa; Rajesh Goud, N.; Cherukuvada, Suryanarayan; Raghavender, S.; Nangia, Ashwini; Manjunatha, Sulur G.; Nambiar, Sudhir; Pal, Sharmistha","High solubility crystalline hydrates of Na and K furosemide salts","CrystEngComm","2014","16","22","4842","","10.1039/c3ce42347f","","","0.71073","MoKα","","0.091","0.0752","","","0.2237","0.2326","","","","","","1.183","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216422","12.579","0.015","24.34","0.02","14.063","0.013","90","","109.3","0.04","90","","4064","7","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H53 N5 O11 -","- C37 H53 N5 O11 -","- C148 H212 N20 O44 -","4","2","","Bera, Santu; Maity, Suman Kumar; Haldar, Debasish","Photoelectrochemical properties of CdSe quantum dots doped disk-like tripeptide capsule","CrystEngComm","2014","16","22","4834","","10.1039/c3ce42582g","","","0.71073","MoKα","","0.0612","0.0565","","","0.1588","0.163","","","","","","1.28","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216423","11.6087","0.0013","21.608","0.003","14.0422","0.0016","90","","105.152","0.002","90","","3399.9","0.7","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H44 N5 O11.5 -","- C29 H44 N5 O11.5 -","- C116 H176 N20 O46 -","4","2","","Bera, Santu; Maity, Suman Kumar; Haldar, Debasish","Photoelectrochemical properties of CdSe quantum dots doped disk-like tripeptide capsule","CrystEngComm","2014","16","22","4834","","10.1039/c3ce42582g","","","0.71073","MoKα","","0.0996","0.0631","","","0.1362","0.1687","","","","","","1.05","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216424","8.5118","0.0007","22.703","0.002","11.3906","0.0008","90","","105.401","0.007","90","","2122.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Co N4 O4 -","- C24 H22 Co N4 O4 -","- C96 H88 Co4 N16 O16 -","4","1","","Tripuramallu, Bharat Kumar; Manna, Paulami; Das, Samar K.","Structural library of coordination polymers based on flexible linkers exploiting the role of linker coordination angle: synthesis, structural characterization and magnetic properties","CrystEngComm","2014","16","22","4816","","10.1039/c3ce42637h","","","0.71073","MoKα","","0.0875","0.0535","","","0.0934","0.1061","","","","","","1.034","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216425","13.177","0.008","15.668","0.008","28.949","0.015","90","","90","","90","","5977","6","298","2","298","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C31 H22 Co F6 N4 O5 -","- C31 H22 Co F6 N4 O5 -","- C248 H176 Co8 F48 N32 O40 -","8","0.5","","Tripuramallu, Bharat Kumar; Manna, Paulami; Das, Samar K.","Structural library of coordination polymers based on flexible linkers exploiting the role of linker coordination angle: synthesis, structural characterization and magnetic properties","CrystEngComm","2014","16","22","4816","","10.1039/c3ce42637h","","","0.71073","MoKα","","0.0868","0.0687","","","0.1361","0.1421","","","","","","1.266","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216426","11.5867","0.0003","12.6968","0.0004","17.5141","0.0005","90","","96.216","0.003","90","","2561.42","0.13","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 Co N4 O4 -","- C28 H30 Co N4 O4 -","- C112 H120 Co4 N16 O16 -","4","1","","Tripuramallu, Bharat Kumar; Manna, Paulami; Das, Samar K.","Structural library of coordination polymers based on flexible linkers exploiting the role of linker coordination angle: synthesis, structural characterization and magnetic properties","CrystEngComm","2014","16","22","4816","","10.1039/c3ce42637h","","","0.71073","MoKα","","0.0529","0.0398","","","0.1043","0.1123","","","","","","1.056","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216427","13.1976","0.0009","10.4914","0.0007","20.376","0.0015","90","","108.808","0.008","90","","2670.6","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 Co N4 O5 -","- C28 H34 Co N4 O5 -","- C112 H136 Co4 N16 O20 -","4","1","","Tripuramallu, Bharat Kumar; Manna, Paulami; Das, Samar K.","Structural library of coordination polymers based on flexible linkers exploiting the role of linker coordination angle: synthesis, structural characterization and magnetic properties","CrystEngComm","2014","16","22","4816","","10.1039/c3ce42637h","","","0.71073","MoKα","","0.0653","0.044","","","0.1027","0.1166","","","","","","1.024","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216428","9.3717","0.0008","10.1843","0.0009","11.7377","0.0011","112.956","0.001","108.358","0.001","90.696","0.001","967.32","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H38 Co3 N12 O16 -","- C30 H38 Co3 N12 O16 -","- C30 H38 Co3 N12 O16 -","1","0.5","","Tripuramallu, Bharat Kumar; Manna, Paulami; Das, Samar K.","Structural library of coordination polymers based on flexible linkers exploiting the role of linker coordination angle: synthesis, structural characterization and magnetic properties","CrystEngComm","2014","16","22","4816","","10.1039/c3ce42637h","","","0.71073","MoKα","","0.0385","0.0322","","","0.0767","0.0802","","","","","","1.027","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216429","8.9732","0.0004","20.4712","0.0009","10.4084","0.0005","90","","102.998","0.005","90","","1862.95","0.15","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Co2 N5 O5 -","- C16 H12 Co2 N5 O5 -","- C64 H48 Co8 N20 O20 -","4","1","","Tripuramallu, Bharat Kumar; Manna, Paulami; Das, Samar K.","Structural library of coordination polymers based on flexible linkers exploiting the role of linker coordination angle: synthesis, structural characterization and magnetic properties","CrystEngComm","2014","16","22","4816","","10.1039/c3ce42637h","","","0.71073","MoKα","","0.0565","0.0448","","","0.1063","0.112","","","","","","1.109","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216430","16.3552","0.0006","16.0035","0.0006","12.1024","0.0005","90","","111.399","0.001","90","","2949.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H27 Cd2 N4 O9 -","- C30 H27 Cd2 N4 O9 -","- C120 H108 Cd8 N16 O36 -","4","0.5","","Haldar, Ritesh; Bonakala, Satyanarayana; Kanoo, Prakash; Balasubramanian, Sundaram; Maji, Tapas Kumar","Two 3D metal‒organic frameworks of Cd(ii): modulation of structures and porous properties based on linker functionalities","CrystEngComm","2014","16","22","4877","","10.1039/c4ce00190g","","","0.71073","MoKα","","0.0387","0.0295","","","0.0645","0.0682","","","","","","1.026","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216431","6.7119","0.0007","24.876","0.003","14.0647","0.0017","90","","90","","90","","2348.3","0.5","150","2","150","2","","","","","","","","5","C m m a","-C 2a 2","67","","","","- C18 H10 Cd N5 O9.5 -","- C18 H10 Cd N5 O9.52 -","- C72 H40 Cd4 N20 O38.08 -","4","0.25","","Haldar, Ritesh; Bonakala, Satyanarayana; Kanoo, Prakash; Balasubramanian, Sundaram; Maji, Tapas Kumar","Two 3D metal‒organic frameworks of Cd(ii): modulation of structures and porous properties based on linker functionalities","CrystEngComm","2014","16","22","4877","","10.1039/c4ce00190g","","","0.71073","MoKα","","0.1062","0.0953","","","0.2257","0.241","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216432","16.38","0.002","20.382","0.003","31.993","0.004","90","","97.917","0.002","90","","10579","2","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C8 H24 Cu2 Mo12 N16 O46.5 P S2 -","- C8 H12 Cu2 Mo12 N16 O44 P S2 -","- C64 H96 Cu16 Mo96 N128 O352 P8 S16 -","8","1","","Hu, Hailiang; Zhang, Weisong; Gong, Jingjing; Dong, Huan; Zhao, Fangfang; Huang, Hui; Liu, Yang; Zhang, Guangju; Kang, Zhenhui","Can tetrazole-functionalized ligands realize the role-control of Keggin-type POMs in hybrid frameworks?","CrystEngComm","2014","16","25","5642","","10.1039/c4ce00293h","","","0.71073","MoKα","","0.0596","0.0479","","","0.1313","0.1381","","","","","","1.041","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216433","14.703","0.002","14.703","0.002","19.139","0.005","90","","90","","90","","4137.4","1.3","150","2","150","2","","","","","","","","9","P 4 n c","P 4 -2n","104","","","","- C26 H40 Cl Cu4 N32 O40 P S8 W12 -","- C26 H40 Cl Cu4 N32 O40 P S8 W12 -","- C52 H80 Cl2 Cu8 N64 O80 P2 S16 W24 -","2","0.25","","Hu, Hailiang; Zhang, Weisong; Gong, Jingjing; Dong, Huan; Zhao, Fangfang; Huang, Hui; Liu, Yang; Zhang, Guangju; Kang, Zhenhui","Can tetrazole-functionalized ligands realize the role-control of Keggin-type POMs in hybrid frameworks?","CrystEngComm","2014","16","25","5642","","10.1039/c4ce00293h","","","0.71073","MoKα","","0.061","0.0373","","","0.0758","0.0863","","","","","","1.003","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216434","24.3102","0.0014","18.5783","0.0011","25.6814","0.0015","90","","90","","90","","11598.8","1.2","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C12 H20 Ag3 Mo12 N24 O41 P S3 -","- C12 H18 Ag3 Mo12 N24 O41 P S3 -","- C96 H144 Ag24 Mo96 N192 O328 P8 S24 -","8","1","","Hu, Hailiang; Zhang, Weisong; Gong, Jingjing; Dong, Huan; Zhao, Fangfang; Huang, Hui; Liu, Yang; Zhang, Guangju; Kang, Zhenhui","Can tetrazole-functionalized ligands realize the role-control of Keggin-type POMs in hybrid frameworks?","CrystEngComm","2014","16","25","5642","","10.1039/c4ce00293h","","","0.71073","MoKα","","0.0647","0.0514","","","0.1105","0.1157","","","","","","1.053","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216435","18.274","0.003","16.737","0.003","26.438","0.003","90","","131.755","0.007","90","","6032.2","1.7","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C13 H32 Ag3 N16 O46 P S4 W12 -","- C13 H20 Ag3 N16 O46 P S4 W12 -","- C52 H80 Ag12 N64 O184 P4 S16 W48 -","4","1","","Hu, Hailiang; Zhang, Weisong; Gong, Jingjing; Dong, Huan; Zhao, Fangfang; Huang, Hui; Liu, Yang; Zhang, Guangju; Kang, Zhenhui","Can tetrazole-functionalized ligands realize the role-control of Keggin-type POMs in hybrid frameworks?","CrystEngComm","2014","16","25","5642","","10.1039/c4ce00293h","","","0.71073","MoKα","","0.0534","0.0312","","","0.0607","0.0689","","","","","","1.022","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216436","12.294","0.0006","21.514","0.0011","19.633","0.001","90","","90","","90","","5192.8","0.5","293","2","293","2","","","","","","","","8","P b c m","-P 2c 2b","57","","","","- C8 H34 Ag4 N12 O55 P V W11 -","- C8 H4 Ag4 N12 O41 P V0.96 W11.04 -","- C32 H16 Ag16 N48 O164 P4 V3.84 W44.16 -","4","0.5","","Wang, Xiu-Li; Cao, Jing-Jing; Liu, Guo-Cheng; Tian, Ai-Xiang; Luan, Jian; Lin, Hong-Yan; Zhang, Ju-Wen; Li, Na","Keggin-based 3D frameworks tuned by silver polymeric motifs: effect of the bi(triazole) substituent group on the architectures","CrystEngComm","2014","16","25","5732","","10.1039/c4ce00147h","","","0.71069","MoKα","","0.0484","0.0398","","","0.1041","0.1082","","","","","","1.057","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216437","12.308","0.0014","21.532","0.003","19.998","0.002","90","","90","","90","","5299.8","1.1","293","2","293","2","","","","","","","","8","P b c m","-P 2c 2b","57","","","","- C8 H61 Ag4 N12 O68 Si V W11 -","- C8 H4 Ag4.49 N12 O43 Si V0.96 W11.04 -","- C32 H16 Ag17.96 N48 O172 Si4 V3.84 W44.16 -","4","0.5","","Wang, Xiu-Li; Cao, Jing-Jing; Liu, Guo-Cheng; Tian, Ai-Xiang; Luan, Jian; Lin, Hong-Yan; Zhang, Ju-Wen; Li, Na","Keggin-based 3D frameworks tuned by silver polymeric motifs: effect of the bi(triazole) substituent group on the architectures","CrystEngComm","2014","16","25","5732","","10.1039/c4ce00147h","","","0.71069","MoKα","","0.089","0.0754","","","0.1888","0.1976","","","","","","1.062","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216438","14.376","0.0007","23.087","0.0008","21.206","0.0011","90","","130.199","0.014","90","","5375.9","1.2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Ag4 N12 O44 P V W11 -","- C18 H10 Ag4 N14 O44 P V0.96 W11.04 -","- C72 H40 Ag16 N56 O176 P4 V3.84 W44.16 -","4","1","","Wang, Xiu-Li; Cao, Jing-Jing; Liu, Guo-Cheng; Tian, Ai-Xiang; Luan, Jian; Lin, Hong-Yan; Zhang, Ju-Wen; Li, Na","Keggin-based 3D frameworks tuned by silver polymeric motifs: effect of the bi(triazole) substituent group on the architectures","CrystEngComm","2014","16","25","5732","","10.1039/c4ce00147h","","","0.71069","MoKα","","0.0648","0.0508","","","0.1231","0.1309","","","","","","1.045","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216439","23.7011","0.0007","12.1758","0.0003","14.3519","0.0006","90","","105.526","0.002","90","","3990.5","0.2","173","0.2","173","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12.6 N2 O11.3 Zr -","- C14 H10 N2 O11.259 Zr -","- C112 H80 N16 O90.072 Zr8 -","8","1","","Lee, Nam Hee; Lee, Dong Woo; Yeo, Hakmin; Kwak, Kyungwon; Chun, Hyang Sook; Ok, Kang Min","A molecular porous zirconium‒organic material exhibiting highly selective CO2 adsorption, high thermal stability, reversible hydration, facile ligand exchange and exclusive dimerization of phenylacetylene","CrystEngComm","2014","16","25","5619","","10.1039/c4ce00253a","","","0.71073","MoKα","","0.0696","0.0529","","","0.1534","0.1602","","","","","","1.454","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216440","30.4402","0.0013","11.6778","0.0004","15.9518","0.0006","90","","99.695","0.003","90","","5589.5","0.4","173","0.2","173","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H27 N5 O11 Zr -","- C23 H27 N5 O11 Zr -","- C184 H216 N40 O88 Zr8 -","8","1","","Lee, Nam Hee; Lee, Dong Woo; Yeo, Hakmin; Kwak, Kyungwon; Chun, Hyang Sook; Ok, Kang Min","A molecular porous zirconium–organic material exhibiting highly selective CO2 adsorption, high thermal stability, reversible hydration, facile ligand exchange and exclusive dimerization of phenylacetylene","CrystEngComm","2014","16","25","5619","","10.1039/c4ce00253a","","","0.71073","MoKα","","0.1339","0.0419","","","0.0754","0.0948","","","","","","0.724","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216441","9.6801","0.0002","18.9975","0.0003","21.3644","0.0003","90","","90","","90","","3928.86","0.12","173","0.2","173","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H18 N2 O11 Zr -","- C17 H18 N2 O11 Zr -","- C136 H144 N16 O88 Zr8 -","8","1","","Lee, Nam Hee; Lee, Dong Woo; Yeo, Hakmin; Kwak, Kyungwon; Chun, Hyang Sook; Ok, Kang Min","A molecular porous zirconium–organic material exhibiting highly selective CO2 adsorption, high thermal stability, reversible hydration, facile ligand exchange and exclusive dimerization of phenylacetylene","CrystEngComm","2014","16","25","5619","","10.1039/c4ce00253a","","","0.71073","MoKα","","0.057","0.0317","","","0.0664","0.0733","","","","","","0.913","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216442","12.3032","0.0016","11.0287","0.0015","19.618","0.003","90","","90.411","0.002","90","","2661.9","0.6","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Cl2 Cu N4 O8 S2 -","- C24 H18 Cl2 Cu N4 O8 S2 -","- C96 H72 Cl8 Cu4 N16 O32 S8 -","4","0.5","","Zhao, Fangfang; Dong, Huan; Liu, BeiBei; Zhang, Guangju; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Tuning luminescence via transition metal-directed strategy in coordination polymers","CrystEngComm","2014","16","21","4422","","10.1039/c3ce42566e","","","0.71073","MoKα","","0.0276","0.0251","","","0.0664","0.0677","","","","","","1.046","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216443","5.4158","0.0006","11.4254","0.0013","12.559","0.0014","114.573","0.002","90.156","0.002","95.928","0.002","702.06","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 Cl2 Co N4 O10 S2 -","- C24 H18 Cl2 Co N4 O10 S2 -","- C24 H18 Cl2 Co N4 O10 S2 -","1","0.5","","Zhao, Fangfang; Dong, Huan; Liu, BeiBei; Zhang, Guangju; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Tuning luminescence via transition metal-directed strategy in coordination polymers","CrystEngComm","2014","16","21","4422","","10.1039/c3ce42566e","","","0.71073","MoKα","","0.0292","0.0272","","","0.0737","0.0749","","","","","","1.026","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216444","5.4158","0.0006","11.4254","0.0013","12.559","0.0014","114.573","0.002","90.156","0.002","95.928","0.002","702.06","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 Cl2 Mn N4 O10 S2 -","- C24 H18 Cl2 Mn N4 O10 S2 -","- C24 H18 Cl2 Mn N4 O10 S2 -","1","0.5","","Zhao, Fangfang; Dong, Huan; Liu, BeiBei; Zhang, Guangju; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Tuning luminescence via transition metal-directed strategy in coordination polymers","CrystEngComm","2014","16","21","4422","","10.1039/c3ce42566e","","","0.71073","MoKα","","0.0367","0.0346","","","0.091","0.0924","","","","","","1.018","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216445","7.4679","0.0007","10.8411","0.001","11.3461","0.0011","77.045","0.002","70.917","0.001","76.493","0.002","833.1","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H13 Ag Cl N3 O4 S -","- C17 H13 Ag Cl N3 O4 S -","- C34 H26 Ag2 Cl2 N6 O8 S2 -","2","1","","Zhao, Fangfang; Dong, Huan; Liu, BeiBei; Zhang, Guangju; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Tuning luminescence via transition metal-directed strategy in coordination polymers","CrystEngComm","2014","16","21","4422","","10.1039/c3ce42566e","","","0.71073","MoKα","","0.0315","0.026","","","0.0594","0.0616","","","","","","1.011","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216446","10.1145","0.0008","10.2684","0.0008","10.8689","0.0009","74.219","0.001","68.085","0.001","64.291","0.001","935.39","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H12 Cd Cl N3 O5 S -","- C17 H12 Cd Cl N3 O5 S -","- C34 H24 Cd2 Cl2 N6 O10 S2 -","2","1","","Zhao, Fangfang; Dong, Huan; Liu, BeiBei; Zhang, Guangju; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Tuning luminescence via transition metal-directed strategy in coordination polymers","CrystEngComm","2014","16","21","4422","","10.1039/c3ce42566e","","","0.71073","MoKα","","0.0251","0.0241","","","0.0673","0.0679","","","","","","1.026","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216447","15.746","0.004","10.962","0.003","22.411","0.005","90","","109.335","0.004","90","","3650.1","1.6","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 Cl2 N6 O9 S2 Zn2 -","- C34 H24 Cl2 N6 O9 S2 Zn2 -","- C136 H96 Cl8 N24 O36 S8 Zn8 -","4","0.5","","Zhao, Fangfang; Dong, Huan; Liu, BeiBei; Zhang, Guangju; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Tuning luminescence via transition metal-directed strategy in coordination polymers","CrystEngComm","2014","16","21","4422","","10.1039/c3ce42566e","","","0.71073","MoKα","","0.0415","0.031","","","0.0769","0.0824","","","","","","1.008","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216448","26.6699","0.0005","37.3628","0.0009","54.356","0.001","90","","90","","90","","54163.7","1.9","100","2","100","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C89 H105.2 N5 O42.6 S8 -","- C89 H75 N5 O42.6 S8 -","- C1424 H1200 N80 O681.6 S128 -","16","0.5","","Lesniewska, B.; Perret, F.; Suwinska, K.; Coleman, A. W.","Structural characterization of inclusion complexes of para-sulphonato-calix[8]arene with 1,2-bis(4-pyridyl)-ethane and 1,3-bis(4-pyridyl)-propane. New ‘double cone’ and ‘up‒flat‒down’ conformations of para-sulphonato-calix[8]arene","CrystEngComm","2014","16","21","4399","","10.1039/c3ce42303d","","","0.71073","MoKα","","0.1805","0.1429","","","0.3737","0.3943","","","","","","1.612","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216449","14.6443","0.0004","19.4468","0.0006","26.594","0.001","99.79","0.002","90.699","0.001","107.796","0.004","7089.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C121 H176 N10 O61 S8 -","- C120.75 H124 N10 O61 S8 -","- C241.5 H248 N20 O122 S16 -","2","1","","Lesniewska, B.; Perret, F.; Suwinska, K.; Coleman, A. W.","Structural characterization of inclusion complexes of para-sulphonato-calix[8]arene with 1,2-bis(4-pyridyl)-ethane and 1,3-bis(4-pyridyl)-propane. New ‘double cone’ and ‘up‒flat‒down’ conformations of para-sulphonato-calix[8]arene","CrystEngComm","2014","16","21","4399","","10.1039/c3ce42303d","","","0.71073","MoKα","","0.1756","0.1094","","","0.2716","0.3107","","","","","","0.996","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216450","9.926","0.003","10.992","0.004","7.12","0.002","90","","90","","90","","776.8","0.4","293","2","293","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- C3 Gd Na3 O9 -","- C3 Gd Na3 O9 -","- C12 Gd4 Na12 O36 -","4","0.5","","Luo, Min; Lin, Chensheng; Zou, Guohong; Ye, Ning; Cheng, Wendan","Sodium–rare earth carbonates with shorite structure and large second harmonic generation response","CrystEngComm","2014","16","21","4414","","10.1039/c4ce00183d","","","0.71073","MoKα","","0.0167","0.0162","","","0.0435","0.0437","","","","","","1.152","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7216451","9.82","0.014","10.883","0.016","7.038","0.009","90","","90","","90","","752.2","1.8","293","2","293","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- C3 Na3 O9 Y -","- C3 Na3 O9 Y -","- C12 Na12 O36 Y4 -","4","0.5","","Luo, Min; Lin, Chensheng; Zou, Guohong; Ye, Ning; Cheng, Wendan","Sodium–rare earth carbonates with shorite structure and large second harmonic generation response","CrystEngComm","2014","16","21","4414","","10.1039/c4ce00183d","","","0.71073","MoKα","","0.0392","0.0326","","","0.0636","0.0665","","","","","","1.08","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7216452","5.7765","0.0006","13.4566","0.0013","19.456","0.002","90","","90","","90","","1512.4","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Cl N3 O -","- C15 H18 Cl N3 O -","- C60 H72 Cl4 N12 O4 -","4","1","","Davey, Roger J.; Sadiq, Ghazala; Seaton, Colin C.; Pritchard, Robin G.; Coquerel, Gerard; Rougeot, Celine","Racemic compound versus conglomerate: concerning the crystal chemistry of the triazoylketone, 1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-one","CrystEngComm","2014","16","21","4377","","10.1039/c4ce00615a","","x-ray","0.71073","MoKα","","0.0881","0.0557","","","0.0774","0.0901","","","","","","1.007","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216453","10.3388","0.0007","10.3388","0.0007","9.4073","0.0012","90","","90","","90","","1005.55","0.16","296","2","296","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C2 H8 Al Ge3 N O8 -","- C2 H4 Al Ge3 N O8 -","- C8 H16 Al4 Ge12 N4 O32 -","4","0.5","","Wang, Jiahong; Zhang, Yu; Zhang, Zaichao; Xu, Yan","Synthesis and structural characterization of three 3-D aluminogermanates with different topologies","CrystEngComm","2014","16","23","5103","","10.1039/c3ce42585a","","","0.71073","MoKα","","0.0306","0.0288","","","0.1166","0.1179","","","","","","1.057","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216454","10.3404","0.0003","10.3404","0.0003","9.4021","0.0007","90","","90","","90","","1005.31","0.09","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C2 H8 Al Ge3 N O8 -","- C2 H8 Al Ge3 N O8 -","- C8 H32 Al4 Ge12 N4 O32 -","4","0.5","","Wang, Jiahong; Zhang, Yu; Zhang, Zaichao; Xu, Yan","Synthesis and structural characterization of three 3-D aluminogermanates with different topologies","CrystEngComm","2014","16","23","5103","","10.1039/c3ce42585a","","","0.71073","MoKα","","0.0271","0.0253","","","0.0756","0.0765","","","","","","1.125","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216455","16.4699","0.0007","16.4699","0.0007","16.4699","0.0007","90","","90","","90","","4467.6","0.3","293","2","293","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C7 H29 Al3 Ge3 N7 Ni O12 -","- C7 H12 Al3 Ge3 N6.99 Ni O12 -","- C56 H96 Al24 Ge24 N55.92 Ni8 O96 -","8","0.333333","","Wang, Jiahong; Zhang, Yu; Zhang, Zaichao; Xu, Yan","Synthesis and structural characterization of three 3-D aluminogermanates with different topologies","CrystEngComm","2014","16","23","5103","","10.1039/c3ce42585a","","","0.71073","MoKα","","0.05","0.0389","","","0.1193","0.1243","","","","","","1.136","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216456","22.0842","0.0002","22.0842","0.0002","28.0921","0.0006","90","","90","","120","","11865.3","0.3","296","2","296","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C30 H35 K4 La3 N12 O74 Si W12 -","- C30 H15 K3.99 La3 N12 O69.49 Si W12 -","- C180 H90 K23.94 La18 N72 O416.94 Si6 W72 -","6","0.333333","","Gao, Guang-Gang; Song, Chao-Yu; Zong, Xi-Ming; Chai, Dong-Feng; Liu, Hong; Zou, Yu-Long; Liu, Jian-Xun; Qiu, Yun-Feng","Solvent-controlled 3D lanthanide‒polyoxometalate frameworks: reduction and stabilization of Ag nanocomposites and catalytic properties","CrystEngComm","2014","16","23","5150","","10.1039/c4ce00403e","","","0.71073","MoKα","","0.0438","0.0327","","","0.0716","0.0763","","","","","","1.011","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216457","22.152","0.0004","22.152","0.0004","28.2012","0.0012","90","","90","","120","","11984.6","0.6","296","2","296","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C30 H33 Ce3 K4 N12 O73 Si W12 -","- C30 H15 Ce3 K3.99 N12 O70.48 Si W12 -","- C180 H90 Ce18 K23.94 N72 O422.88 Si6 W72 -","6","0.333333","","Gao, Guang-Gang; Song, Chao-Yu; Zong, Xi-Ming; Chai, Dong-Feng; Liu, Hong; Zou, Yu-Long; Liu, Jian-Xun; Qiu, Yun-Feng","Solvent-controlled 3D lanthanide‒polyoxometalate frameworks: reduction and stabilization of Ag nanocomposites and catalytic properties","CrystEngComm","2014","16","23","5150","","10.1039/c4ce00403e","","","0.71073","MoKα","","0.0269","0.0227","","","0.0513","0.0533","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216458","13.685","0.005","13.144","0.004","22.649","0.007","90","","100.551","0.005","90","","4005","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H46 La4 N8 O75 Si W12 -","- C20 H8 La4 N8 O73 Si W12 -","- C40 H16 La8 N16 O146 Si2 W24 -","2","0.5","","Gao, Guang-Gang; Song, Chao-Yu; Zong, Xi-Ming; Chai, Dong-Feng; Liu, Hong; Zou, Yu-Long; Liu, Jian-Xun; Qiu, Yun-Feng","Solvent-controlled 3D lanthanide‒polyoxometalate frameworks: reduction and stabilization of Ag nanocomposites and catalytic properties","CrystEngComm","2014","16","23","5150","","10.1039/c4ce00403e","","","0.71073","MoKα","","0.1585","0.0838","","","0.1734","0.2035","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216459","13.7014","0.001","13.1554","0.001","22.7273","0.0017","90","","100.366","0.001","90","","4029.7","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H46 Ce4 N8 O75 Si W12 -","- C20 H8 Ce4 N8 O78 Si W12 -","- C40 H16 Ce8 N16 O156 Si2 W24 -","2","0.5","","Gao, Guang-Gang; Song, Chao-Yu; Zong, Xi-Ming; Chai, Dong-Feng; Liu, Hong; Zou, Yu-Long; Liu, Jian-Xun; Qiu, Yun-Feng","Solvent-controlled 3D lanthanide‒polyoxometalate frameworks: reduction and stabilization of Ag nanocomposites and catalytic properties","CrystEngComm","2014","16","23","5150","","10.1039/c4ce00403e","","","0.71073","MoKα","","0.0782","0.073","","","0.1487","0.1514","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216460","10.7001","0.0008","11.3758","0.0008","17.0795","0.0012","90","","103.62","0.001","90","","2020.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ethyl3-(4-bromophenyl)-2-cyano-6,6-dimethyl-4-oxo- 2,3,4,5,6,7-hexahydrobenzofuran-2-carboxylate","","- C20 H20 Br N O4 -","- C20 H20 Br N O4 -","- C80 H80 Br4 N4 O16 -","4","1","","Chennapuram, Madhu; Emmadi, Narender Reddy; Bingi, Chiranjeevi; Nanubolu, Jagadeesh Babu; Atmakur, Krishnaiah","Group-assisted purification (GAP) chemistry for dihydrofurans: water as a medium for catalyst free synthesis in a one pot four component reaction","Green Chemistry","2014","16","6","3237","","10.1039/c4gc00388h","","","0.71073","MoKα","","0.0568","0.043","","","0.1097","0.1207","","","","","","1.027","","","","has coordinates,has disorder","301864","2025-08-22","15:14:35",""
"7216461","11.2762","0.0007","13.0441","0.0008","12.5041","0.0007","90","","112.669","0.001","90","","1697.12","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(4-bromophenyl)-2-cyano-6,6-dimethyl-4-oxo- 2,3,4,5,6,7-hexahydro-1-benzofuran-2-carboxamide","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C72 H72 N8 O12 -","4","1","","Chennapuram, Madhu; Emmadi, Narender Reddy; Bingi, Chiranjeevi; Nanubolu, Jagadeesh Babu; Atmakur, Krishnaiah","Group-assisted purification (GAP) chemistry for dihydrofurans: water as a medium for catalyst free synthesis in a one pot four component reaction","Green Chemistry","2014","16","6","3237","","10.1039/c4gc00388h","","","0.71073","MoKα","","0.04","0.036","","","0.1018","0.1061","","","","","","1.072","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216462","14.9957","0.0012","7.6225","0.0006","11.9828","0.001","90","","91.022","0.003","90","","1369.47","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","LWJ-161C","","","- C17 H15 N3 O -","- C17 H15 N3 O -","- C68 H60 N12 O4 -","4","1","","Li, Wenjun; Du, Zhiyun; Huang, Jiayao; Jia, Qianfa; Zhang, Kun; Wang, Jian","Direct access to 1,2,3-triazoles through organocatalytic 1,3-dipolar cycloaddition reaction of allyl ketones with azides","Green Chemistry","2014","16","6","3003","","10.1039/c4gc00406j","","","0.71073","MoKα","","0.0472","0.0381","","","0.0883","0.0941","","","","","","1.032","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216463","16.529","0.002","16.529","0.002","16.604","0.002","90","","90","","90","","4536.3","0.9","293","2","293","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C40 H38 Cl2 N8 O11 S4 Zn -","- C40 H38 Cl2 N8 O11 S4 Zn -","- C160 H152 Cl8 N32 O44 S16 Zn4 -","4","0.5","","De la Pinta, Noelia; Caballero, Ana B.; Madariaga, Gotzon; Ezpeleta, José M.; Rodriguez-Dieguez, Antonio; Salas, Juan M.; Cortés, Roberto","DPDS–DPS in situ transformation at room temperature via a 1,2-nucleophilic addition mechanism","CrystEngComm","2014","16","36","8322","","10.1039/C4CE00781F","","","0.71073","MoKα","","0.0511","0.046","","","0.1156","0.1195","","","","","","1.021","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216464","9.694","0.003","11.143","0.004","11.326","0.003","87.71","0.04","76.9","0.03","67.65","0.04","1100.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 Mn N10 S6 -","- C42 H32 Mn N10 S6 -","- C42 H32 Mn N10 S6 -","1","0.5","","De la Pinta, Noelia; Caballero, Ana B.; Madariaga, Gotzon; Ezpeleta, José M.; Rodriguez-Dieguez, Antonio; Salas, Juan M.; Cortés, Roberto","DPDS‒DPS in situ transformation at room temperature via a 1,2-nucleophilic addition mechanism","CrystEngComm","2014","16","36","8322","","10.1039/C4CE00781F","","","0.71073","MoKα","","0.1201","0.0394","","","","0.094","","","","","","0.787","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216465","14.545","0.003","14.834","0.003","12.805","0.004","90","","90","","90","","2762.8","1.2","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C12 H8 N4 O2 S Zn -","- C12 H8 N4 O2 S Zn -","- C96 H64 N32 O16 S8 Zn8 -","8","1","","De la Pinta, Noelia; Caballero, Ana B.; Madariaga, Gotzon; Ezpeleta, José M.; Rodriguez-Dieguez, Antonio; Salas, Juan M.; Cortés, Roberto","DPDS‒DPS in situ transformation at room temperature via a 1,2-nucleophilic addition mechanism","CrystEngComm","2014","16","36","8322","","10.1039/C4CE00781F","","","0.71069","MoKα","","0.1409","0.029","","","","0.0613","","","","","","0.801","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216466","17.001","0.006","10.288","0.004","16.629","0.006","90","","118.53","0.04","90","","2555.3","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Fe N6 O2 S4 -","- C22 H20 Fe N6 O2 S4 -","- C88 H80 Fe4 N24 O8 S16 -","4","0.5","","De la Pinta, Noelia; Caballero, Ana B.; Madariaga, Gotzon; Ezpeleta, José M.; Rodriguez-Dieguez, Antonio; Salas, Juan M.; Cortés, Roberto","DPDS‒DPS in situ transformation at room temperature via a 1,2-nucleophilic addition mechanism","CrystEngComm","2014","16","36","8322","","10.1039/C4CE00781F","","","0.71069","MoKα","","0.2429","0.0446","","","","0.1051","","","","","","0.625","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216478","25.985","0.005","13.713","0.003","24.798","0.005","90","","112.39","0.03","90","","8170","3","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 Cu3 N6 O9 -","- C36 H36 Cu3 N6 O9 -","- C288 H288 Cu24 N48 O72 -","8","1","","Wu, Shu-Ting; Tang, Hong-Liang; Lu, Shu-Mei; Ye, Qiao-Yan; Huang, Xi-He; Huang, Chang-Cang; Hu, Xiao-Lin; Zheng, Shou-Tian","Delicate modulated assembly of a new kind of trinuclear copper(ii) motif governed by N-containing agents","CrystEngComm","2014","16","42","9792","","10.1039/C4CE00898G","","","0.71073","MoKα","","0.084","0.0746","","","0.1692","0.1755","","","","","","1.136","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216479","22.533","0.004","23.066","0.005","14.201","0.003","90","","90","","90","","7381","3","293","2","293","2","","","","","","","","5","P b a 2","P 2 -2ab","32","","","","- C68 H63 Cu6 N11 O17 -","- C68 H63 Cu6 N11 O17 -","- C272 H252 Cu24 N44 O68 -","4","1","","Wu, Shu-Ting; Tang, Hong-Liang; Lu, Shu-Mei; Ye, Qiao-Yan; Huang, Xi-He; Huang, Chang-Cang; Hu, Xiao-Lin; Zheng, Shou-Tian","Delicate modulated assembly of a new kind of trinuclear copper(ii) motif governed by N-containing agents","CrystEngComm","2014","16","42","9792","","10.1039/C4CE00898G","","","0.71073","MoKα","","0.0939","0.0535","","","0.1312","0.1525","","","","","","0.85","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216480","9.6951","0.0019","21.832","0.004","19.246","0.004","90","","97.76","0.03","90","","4036.4","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H39 Cu3 N7 O10 -","- C37 H39 Cu3 N7 O10 -","- C148 H156 Cu12 N28 O40 -","4","1","","Wu, Shu-Ting; Tang, Hong-Liang; Lu, Shu-Mei; Ye, Qiao-Yan; Huang, Xi-He; Huang, Chang-Cang; Hu, Xiao-Lin; Zheng, Shou-Tian","Delicate modulated assembly of a new kind of trinuclear copper(ii) motif governed by N-containing agents","CrystEngComm","2014","16","42","9792","","10.1039/C4CE00898G","","","0.71073","MoKα","","0.1502","0.072","","","0.1626","0.206","","","","","","0.959","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216481","14.76","0.003","14.694","0.003","18.395","0.004","90","","98.88","0.03","90","","3941.8","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H33 Cu3 N7 O7 -","- C41 H33 Cu3 N7 O7 -","- C164 H132 Cu12 N28 O28 -","4","1","","Wu, Shu-Ting; Tang, Hong-Liang; Lu, Shu-Mei; Ye, Qiao-Yan; Huang, Xi-He; Huang, Chang-Cang; Hu, Xiao-Lin; Zheng, Shou-Tian","Delicate modulated assembly of a new kind of trinuclear copper(ii) motif governed by N-containing agents","CrystEngComm","2014","16","42","9792","","10.1039/C4CE00898G","","","0.71073","MoKα","","0.0689","0.0421","","","0.1233","0.1422","","","","","","0.922","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216482","41.72","0.003","8.6534","0.0005","28.881","0.002","90","","120.329","0.005","90","","8999.6","1.1","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41.5 H51.5 Cu3 N10.5 O11.5 -","- C41.5 H51.5 Cu3 N10.5 O11.5 -","- C332 H412 Cu24 N84 O92 -","8","1","","Wu, Shu-Ting; Tang, Hong-Liang; Lu, Shu-Mei; Ye, Qiao-Yan; Huang, Xi-He; Huang, Chang-Cang; Hu, Xiao-Lin; Zheng, Shou-Tian","Delicate modulated assembly of a new kind of trinuclear copper(ii) motif governed by N-containing agents","CrystEngComm","2014","16","42","9792","","10.1039/C4CE00898G","","","0.71073","MoKα","","0.0852","0.0634","","","0.1486","0.1666","","","","","","1.05","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216483","23.049","0.005","11.765","0.005","22.522","0.005","90","0.005","101.828","0.005","90","0.005","5978","3","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 Ag5 Mo12 N10 O43 P -","- C32 H24 Ag5 Mo12 N10 O40 P -","- C128 H96 Ag20 Mo48 N40 O160 P4 -","4","0.5","","Zhou, Wei-Li; Liang, Jun; Qin, Chao; Shao, Kui-Zhan; Wang, Fang-Ming; Su, Zhong-Min","Syntheses, crystal structures and properties of inorganic‒organic hybrids constructed from Keggin-type polyoxometalates and silver coordination compounds","CrystEngComm","2014","16","32","7410","","10.1039/C4CE00633J","","","0.71069","MoKα","","0.0941","0.0448","","","0.082","0.1026","","","","","","1.055","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216484","12.977","0.005","20.255","0.005","21.995","0.005","90","0.005","97.708","0.005","90","0.005","5729","3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Ag4 Mo12 N12 Na O42 P -","- C24 H18 Ag4 Mo12 N12 Na O41 P -","- C96 H72 Ag16 Mo48 N48 Na4 O164 P4 -","4","1","","Zhou, Wei-Li; Liang, Jun; Qin, Chao; Shao, Kui-Zhan; Wang, Fang-Ming; Su, Zhong-Min","Syntheses, crystal structures and properties of inorganic‒organic hybrids constructed from Keggin-type polyoxometalates and silver coordination compounds","CrystEngComm","2014","16","32","7410","","10.1039/C4CE00633J","","","0.71069","MoKα","","0.0389","0.0265","","","0.0517","0.0553","","","","","","1.004","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216485","11.396","0.005","11.792","0.005","13.376","0.005","65.249","0.005","80.299","0.005","61.303","0.005","1430.7","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H28 Ag4 Mo12 N6 O42 P -","- C30 H24 Ag4 Mo12 N6 O42 P -","- C30 H24 Ag4 Mo12 N6 O42 P -","1","0.5","","Zhou, Wei-Li; Liang, Jun; Qin, Chao; Shao, Kui-Zhan; Wang, Fang-Ming; Su, Zhong-Min","Syntheses, crystal structures and properties of inorganic‒organic hybrids constructed from Keggin-type polyoxometalates and silver coordination compounds","CrystEngComm","2014","16","32","7410","","10.1039/C4CE00633J","","","0.71069","MoKα","","0.0516","0.0385","","","0.084","0.0901","","","","","","1.083","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216486","22.902","0.005","11.913","0.005","22.594","0.005","90","0.005","101.657","0.005","90","0.005","6037","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 Ag5 N10 O43 P W12 -","- C32 H24 Ag5 N10 O40 P W12 -","- C128 H96 Ag20 N40 O160 P4 W48 -","4","0.5","","Zhou, Wei-Li; Liang, Jun; Qin, Chao; Shao, Kui-Zhan; Wang, Fang-Ming; Su, Zhong-Min","Syntheses, crystal structures and properties of inorganic‒organic hybrids constructed from Keggin-type polyoxometalates and silver coordination compounds","CrystEngComm","2014","16","32","7410","","10.1039/C4CE00633J","","","0.71069","MoKα","","0.0758","0.0548","","","0.1123","0.1207","","","","","","1.093","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216487","10.324","0.003","18.828","0.005","21.852","0.006","69.016","0.006","84.428","0.01","75.039","0.01","3831.4","1.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[(±)-2,7,12-tripropoxy-3,8,13-tris(4-pyridylcarboxy)-10,15- dihydro-5H-tribenzo[a,d,g]cyclononene]silver (I) cobalt(III) bis(dicarbollide) hydrate dimethylformamide","","- C59.5 H86.5 Ag B18 Co N5.5 O12.5 -","- C59.5 H84.5 Ag B18 Co N5.5 O12.5 -","- C119 H169 Ag2 B36 Co2 N11 O25 -","2","1","","Henkelis, James J.; Hardie, Michaele J.","Tuning the coordination chemistry of cyclotriveratrylene ligand pairs through alkyl chain aggregation","CrystEngComm","2014","16","35","8138","","10.1039/C4CE00467A","","","0.6889","synchrotron","","0.0885","0.0807","","","0.2334","0.2426","","","","","","1.069","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216488","38.7","0.003","9.6729","0.001","38.853","0.004","90","","111.954","0.004","90","","13490","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","aquodonitro[(±)-2,7,12-tripropoxy-3,8,13-tris(4-pyridylcarboxy)- 10,15-dihydro-5H-tribenzo[a,d,g]cyclononene]cadmium(II) diethylether dimethylformamide clathrate","","- C106 H118 Cd2 N12 O35 -","- C106 H114 Cd2 N12 O35 -","- C424 H456 Cd8 N48 O140 -","4","0.5","","Henkelis, James J.; Hardie, Michaele J.","Tuning the coordination chemistry of cyclotriveratrylene ligand pairs through alkyl chain aggregation","CrystEngComm","2014","16","35","8138","","10.1039/C4CE00467A","","","0.71073","MoKα","","0.1749","0.1335","","","0.385","0.4291","","","","","","1.617","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216489","19.3628","0.0007","43.7924","0.0011","16.6371","0.0006","90","","90.525","0.003","90","","14106.7","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{(±)-2,7,12-tripropoxy-3,8,13- tris(2-quinolylmethyl)-10,15-dihydro-5H-tribenzo[a,d,g] cyclononene}silver(I) cobalt(III) bis(dicarbollide) nitromethane","","- C129.5 H163.5 Ag2 B36 Co2 N7.5 O15 -","- C129.5 H163.5 Ag2 B36 Co2 N7.5 O15 -","- C518 H654 Ag8 B144 Co8 N30 O60 -","4","1","","Henkelis, James J.; Hardie, Michaele J.","Tuning the coordination chemistry of cyclotriveratrylene ligand pairs through alkyl chain aggregation","CrystEngComm","2014","16","35","8138","","10.1039/C4CE00467A","","","0.6889","synchrotron","","0.135","0.1128","","","0.3054","0.3462","","","","","","1.377","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216490","21.057","0.005","44.917","0.009","40.687","0.008","90","","97.365","0.006","90","","38165","14","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[dodeca(trifluoroacetate)tetra{(±)-2,7,12-tripropoxy-3,8,13- tris(2-quinolylmethyl)-10,15-dihydro-5H-tribenzo[a,d,g] cyclononene}hexaplatinum(II) ether","","- C268 H234 F36 N12 O49 Pd6 -","- C268 H234 F36 N12 O49 Pd6 -","- C1072 H936 F144 N48 O196 Pd24 -","4","0.5","","Henkelis, James J.; Hardie, Michaele J.","Tuning the coordination chemistry of cyclotriveratrylene ligand pairs through alkyl chain aggregation","CrystEngComm","2014","16","35","8138","","10.1039/C4CE00467A","","","0.71073","MoKα","","0.1251","0.0914","","","0.2444","0.2572","","","","","","1.546","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216491","13.745","0.0008","24.8293","0.0014","7.2076","0.0004","90","","95.191","0.001","90","","2449.7","0.2","95","2","95","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1-Iodo-3,5-bis(4',4',5',5'-tetramethyl-4',5'-dihydro- 1'H-imidazole-1'-oxyl)benzene - co - dichloromethane","","- C21 H29.72 Cl2 I N4 O2.36 -","- C21 H29 Cl2 I N4 O2.36 -","- C84 H116 Cl8 I4 N16 O9.44 -","4","0.5","","Akpinar, Handan; Schlueter, John A.; Lahti, Paul M.","Organizing a bis(iminoylnitroxide) diradical into antiferromagnetically coupled chains by co-crystallization with dichloromethane","CrystEngComm","2014","16","26","5832","","10.1039/c4ce00207e","","x-ray","0.3936","synchrotron","","0.046","0.0404","","","0.1157","0.1192","","","","","","1.161","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216492","14.8642","0.0011","18.5544","0.0015","4.7094","0.0004","90","","90","","90","","1298.84","0.18","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","none","4-aminobenzoic acid + 2-acetaminopyridine","","- C14 H15 N3 O3 -","- C14 H15 N3 O3 -","- C56 H60 N12 O12 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.0422","0.0329","","","0.0742","0.0788","","","","","","1.036","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216493","12.776","0.003","5.1844","0.001","19.547","0.004","90","","103.08","0.03","90","","1261.1","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","none","benzoic acid + 2-acetaminopyridine","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C56 H56 N8 O12 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.0783","0.0401","","","0.0935","0.1076","","","","","","0.974","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216494","8.4349","0.0017","23.547","0.005","7.127","0.0014","90","","90.22","0.03","90","","1415.5","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","none","4-aminobenzoic acid + 2-acetamido-6-methylpyridine","","- C15 H17 N3 O3 -","- C15 H17 N3 O3 -","- C60 H68 N12 O12 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.1665","0.0583","","","0.1218","0.1566","","","","","","0.989","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216495","9.0318","0.0007","10.8602","0.0009","23.561","0.0019","90","","97.95","0.002","90","","2288.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","none","2(4-methoxybenzoic acid) + 4,4-bipyridine","","- C26 H24 N2 O6 -","- C26 H24 N2 O6 -","- C104 H96 N8 O24 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.0598","0.0398","","","0.1011","0.1133","","","","","","1.029","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216496","7.3345","0.0015","9.1868","0.0018","21.307","0.004","90","","93.3","0.03","90","","1433.3","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","none","4-aminobenzoic acid + 6-aminoquinoline","","- C16 H15 N3 O2 -","- C16 H15 N3 O2 -","- C64 H60 N12 O8 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.042","0.0363","","","0.0987","0.1032","","","","","","1.065","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216497","3.7592","0.0013","27.082","0.009","6.551","0.002","90","","90.735","0.008","90","","666.9","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","none","4-nitrobenzoic acid + quinoline","","- C16 H12 N2 O4 -","- C16 H12 N2 O4 -","- C32 H24 N4 O8 -","2","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.0837","0.047","","","0.0901","0.1029","","","","","","0.99","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216498","11.5","0.002","15.191","0.003","12.228","0.002","90","","90","","90","","2136.2","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","none","benzoic acid + 2-aminopyridine","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C96 H96 N16 O16 -","8","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.1054","0.0443","","","0.0929","0.11","","","","","","0.95","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216499","9.6861","0.0007","10.3327","0.0007","12.0022","0.0008","90","","97.765","0.002","90","","1190.21","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","none","4-bromobenzoic acid + 2-aminopyridine","","- C12 H11 Br N2 O2 -","- C12 H11 Br N2 O2 -","- C48 H44 Br4 N8 O8 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.0254","0.0208","","","0.0515","0.0533","","","","","","1.043","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216500","5.5541","0.0011","8.5531","0.0017","25.38","0.005","90","","90","","90","","1205.7","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","none","4-aminobenzoic acid + 2-amino-4-methylpyridine","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C52 H60 N12 O8 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.0802","0.0389","","","0.0711","0.0795","","","","","","0.94","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216501","9.4403","0.0019","11.509","0.002","12.69","0.003","90","","110.77","0.03","90","","1289.1","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","none","4-methoxybenzoic acid + 2-amino-6-methylpyridine","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.0863","0.0423","","","0.0863","0.0972","","","","","","0.958","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216502","10.337","0.002","11.727","0.002","11.031","0.002","90","","105.53","0.03","90","","1288.4","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","none","4-methoxybenzoic acid + 2-amino-4-methylpyridine","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.104","0.0462","","","0.1029","0.1209","","","","","","0.938","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216503","11.888","0.002","12.313","0.003","16.815","0.003","90","","90","","90","","2461.3","0.9","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","none","benzoic acid + 2-amino-6-methylpyridine","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C104 H112 N16 O16 -","8","2","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.1051","0.0525","","","0.1079","0.1297","","","","","","1.019","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216504","17.1239","0.0016","4.1317","0.0004","22.882","0.002","90","","111.762","0.002","90","","1503.5","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","none","4-bromobenzoic acid + 2-amino-6-methylpyridine + 2(water)","","- C13 H17 Br N2 O4 -","- C13 H15 Br N2 O4 -","- C52 H60 Br4 N8 O16 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.0455","0.0303","","","0.0751","0.082","","","","","","1","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216505","9.5786","0.0019","11.539","0.002","11.311","0.002","90","","100.45","0.03","90","","1229.4","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","none","4-bromobenzoic acid + 2-amino-4-methylpyridine","","- C13 H13 Br N2 O2 -","- C13 H13 Br N2 O2 -","- C52 H52 Br4 N8 O8 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.0387","0.0242","","","0.0526","0.0557","","","","","","1.048","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216506","11.478","0.002","15.142","0.003","19.266","0.004","90","","101.27","0.03","90","","3283.9","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Acetyl-3-phenyl-5-(9-anthryl)-2-pyrazoline. 2,2-bis(4-hydroxyphenyl)propane cocrystal","","- C40 H36 N2 O3 -","- C40 H36 N2 O3 -","- C160 H144 N8 O12 -","4","1","","Feng, Qi; Wang, Mingliang; Xu, Chunxiang; Khan, Arshad; Wu, Xiaojuan; Lu, Jiao; Wei, Xiang","Investigation of molecular arrangements and solid-state fluorescence properties of solvates and cocrystals of 1-acetyl-3-phenyl-5-(9-anthryl)-2-pyrazoline","CrystEngComm","2014","16","26","5820","","10.1039/c3ce42210k","","","0.71073","MoKα","","0.158","0.0659","","","0.1466","0.1906","","","","","","1.003","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216507","13.383","0.003","9.766","0.002","18.67","0.004","90","","100.97","0.03","90","","2395.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-acetyl-3-phenyl-5-(9-anthryl)-2-pyrazoline.chloroform solvate","","- C26 H21 Cl3 N2 O -","- C26 H21 Cl3 N2 O -","- C104 H84 Cl12 N8 O4 -","4","1","","Feng, Qi; Wang, Mingliang; Xu, Chunxiang; Khan, Arshad; Wu, Xiaojuan; Lu, Jiao; Wei, Xiang","Investigation of molecular arrangements and solid-state fluorescence properties of solvates and cocrystals of 1-acetyl-3-phenyl-5-(9-anthryl)-2-pyrazoline","CrystEngComm","2014","16","26","5820","","10.1039/c3ce42210k","","","0.71073","MoKα","","0.182","0.0741","","","0.133","0.1697","","","","","","1.006","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216508","10.258","0.002","12.272","0.003","16.034","0.003","90","","105.53","0.03","90","","1944.8","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-acetyl-3-phenyl-5-(9-anthryl)-2-pyrazoline monohydrate","","- C25 H22 N2 O2 -","- C25 H22 N2 O2 -","- C100 H88 N8 O8 -","4","1","","Feng, Qi; Wang, Mingliang; Xu, Chunxiang; Khan, Arshad; Wu, Xiaojuan; Lu, Jiao; Wei, Xiang","Investigation of molecular arrangements and solid-state fluorescence properties of solvates and cocrystals of 1-acetyl-3-phenyl-5-(9-anthryl)-2-pyrazoline","CrystEngComm","2014","16","26","5820","","10.1039/c3ce42210k","","","0.71073","MoKα","","0.1601","0.0685","","","0.1252","0.1519","","","","","","1.002","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216509","22.826","0.005","10.082","0.002","10.677","0.002","90","","90","","90","","2457.1","0.9","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-acetyl-3-phenyl-5-(9-anthryl)-2-pyrazoline.phenol cocrystal","","- C31 H26 N2 O2 -","- C31 H26 N2 O2 -","- C124 H104 N8 O8 -","4","1","","Feng, Qi; Wang, Mingliang; Xu, Chunxiang; Khan, Arshad; Wu, Xiaojuan; Lu, Jiao; Wei, Xiang","Investigation of molecular arrangements and solid-state fluorescence properties of solvates and cocrystals of 1-acetyl-3-phenyl-5-(9-anthryl)-2-pyrazoline","CrystEngComm","2014","16","26","5820","","10.1039/c3ce42210k","","","0.71073","MoKα","","0.1722","0.0731","","","0.1024","0.1278","","","","","","1","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216510","6.9931","0.0014","10.127","0.002","15.112","0.003","95.46","0.03","96.7","0.03","101.17","0.03","1035.1","0.4","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 F3 N5 O4 -","- C21 H18 F3 N5 O4 -","- C42 H36 F6 N10 O8 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Cocrystallization with flufenamic acid: comparison of physicochemical properties of two pharmaceutical cocrystals","CrystEngComm","2014","16","26","5793","","10.1039/c3ce42182a","","","0.71073","MoKα","","0.0705","0.0628","","","0.2017","0.232","","","","","","1.188","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216511","7.5628","0.0015","7.645","0.0015","14.552","0.003","90.45","0.03","92.14","0.03","95.81","0.03","836.4","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 F3 N2 O3 -","- C19 H15 F3 N2 O3 -","- C38 H30 F6 N4 O6 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Cocrystallization with flufenamic acid: comparison of physicochemical properties of two pharmaceutical cocrystals","CrystEngComm","2014","16","26","5793","","10.1039/c3ce42182a","","","0.71073","MoKα","","0.0979","0.0789","","","0.1889","0.2023","","","","","","1.184","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216512","9.827","0.002","10.361","0.002","25.005","0.005","84.67","0.03","81.34","0.03","71.46","0.03","2383.5","0.9","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 F6 N4 O4 -","- C38 H28 F6 N4 O4 -","- C114 H84 F18 N12 O12 -","3","1.5","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Cocrystallization with flufenamic acid: comparison of physicochemical properties of two pharmaceutical cocrystals","CrystEngComm","2014","16","26","5793","","10.1039/c3ce42182a","","","0.71073","MoKα","","0.2316","0.1985","","","0.473","0.4988","","","","","","1.572","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216513","9.9973","0.0013","22.788","0.003","10.4078","0.0014","90","","91.243","0.001","90","","2370.5","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(±)-4'-methylmethcathinone Hydrochloride, Mephedrone","","- C11 H16 Cl N O -","- C11 H16 Cl N O -","- C88 H128 Cl8 N8 O8 -","8","2","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions – a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0649","0.0385","","0.0872","0.0732","0.0872","","","","","","1.0075","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216514","10.0093","0.0003","22.8207","0.0008","10.4016","0.0004","90","","91.416","0.002","90","","2375.2","0.14","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(±)-4'-methylmethcathinone Hydrochloride, Mephedrone","","- C11 H16 Cl N O -","- C11 H16 Cl N O -","- C88 H128 Cl8 N8 O8 -","8","2","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions – a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0625","0.0376","","0.1","0.0806","0.1","","","","","","1.099","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216515","10.0604","0.0018","22.876","0.004","10.4041","0.0019","90","","91.741","0.002","90","","2393.3","0.7","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(±)-4'-methylmethcathinone Hydrochloride, Mephedrone","","- C11 H16 Cl N O -","- C11 H16 Cl N O -","- C88 H128 Cl8 N8 O8 -","8","2","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions – a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.084","0.0384","","0.0769","0.0717","0.0769","","","","","","0.7821","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216516","7.116","0.0012","22.916","0.004","7.3818","0.0013","90","","91.415","0.002","90","","1203.4","0.4","180","","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(±)-4'-methylmethcathinone Hydrochloride, Mephedrone","","- C11 H16 Cl N O -","- C11 H16 Cl N O -","- C44 H64 Cl4 N4 O4 -","4","1","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions – a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0639","0.0386","","0.0989","0.0951","0.0989","","","","","","0.9037","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216517","7.1234","0.0014","22.966","0.004","7.3986","0.0014","90","","91.146","0.002","90","","1210.1","0.4","210","","210","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(±)-4'-methylmethcathinone Hydrochloride, Mephedrone","","- C11 H16 Cl N O -","- C11 H16 Cl N O -","- C44 H64 Cl4 N4 O4 -","4","1","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions – a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0677","0.0407","","0.1072","0.0909","0.1072","","","","","","0.9846","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216518","7.1264","0.0014","22.986","0.005","7.4072","0.0014","90","","90.974","0.002","90","","1213.2","0.4","230","","230","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(±)-4'-methylmethcathinone hydrochloride, Mephedrone","","- C11 H16 Cl N O -","- C11 H16 Cl N O -","- C44 H64 Cl4 N4 O4 -","4","1","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions – a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0714","0.0413","","0.115","0.0939","0.115","","","","","","0.9794","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216519","7.1314","0.0014","23.013","0.005","7.418","0.0015","90","","90.803","0.002","90","","1217.3","0.4","250","","250","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(±)-4'-methylmethcathinone Hydrochloride, Mephedrone","","- C11 H16 Cl N O -","- C11 H16 Cl N O -","- C44 H64 Cl4 N4 O4 -","4","1","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions – a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0771","0.0381","","0.09","0.0857","0.09","","","","","","0.8468","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216520","7.1365","0.0014","23.041","0.005","7.4304","0.0015","90","","90.628","0.002","90","","1221.7","0.4","275","","275","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(±)-4'-methylmethcathinone Hydrochloride, Mephedrone","","- C11 H16 Cl N O -","- C11 H16 Cl N O -","- C44 H64 Cl4 N4 O4 -","4","1","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions – a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0836","0.0391","","0.0892","0.0841","0.0892","","","","","","0.8112","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216521","7.1345","0.0007","23.048","0.003","7.433","0.0008","90","","90.449","0.006","90","","1222.2","0.2","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(±)-4'-methylmethcathinone Hydrochloride, Mephedrone","","- C11 H16 Cl N O -","- C11 H16 Cl N O -","- C44 H64 Cl4 N4 O4 -","4","1","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions – a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.081","0.0456","","0.1403","0.1109","0.1403","","","","","","1.0185","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216522","5.7804","0.0004","19.7971","0.0014","10.5967","0.0006","90","","100.841","0.003","90","","1190.99","0.14","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(±)-4'-methylmethcathinone Hydrobromide","","- C11 H16 Br N O -","- C11 H16 Br N O -","- C44 H64 Br4 N4 O4 -","4","1","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions – a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0333","0.0264","","0.0706","0.0668","0.0706","","","","","","0.9801","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216523","10.8355","0.0019","10.203","0.0017","11.5425","0.0019","90","","111.839","0.008","90","","1184.5","0.4","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(±)-4'-methylmethcathinone Hydrobromide","","- C11 H16 Br N O -","- C11 H16 Br N O -","- C44 H64 Br4 N4 O4 -","4","1","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions – a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0257","0.02","","0.0476","0.0446","0.0476","","","","","","0.998","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216524","10.2017","0.0006","22.3376","0.0013","10.5639","0.0006","90","","90.157","0.003","90","","2407.3","0.2","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","30:70 (±)-4'-methylmethcathinone hydrochloride hydrobromide salt solution","","- C11 H16 Br0.72 Cl0.28 N O -","- C11 H16 Br0.7185 Cl0.2815 N O -","- C88 H128 Br5.748 Cl2.252 N8 O8 -","8","2","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0399","0.0286","","0.0701","0.0628","0.0701","","","","","","1.0075","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216525","10.1409","0.0011","22.488","0.003","10.4979","0.0011","90","","90.359","0.008","90","","2394","0.5","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","60:40 (±)-4'-methylmethcathinone hydrochloride hydrobromide salt solution","","- C11 H16 Br0.4 Cl0.6 N O -","- C11 H16 Br0.4035 Cl0.5965 N O -","- C88 H128 Br3.228 Cl4.772 N8 O8 -","8","2","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.1608","0.1186","","0.4127","0.3897","0.4127","","","","","","1.5578","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216526","10.1012","0.0005","22.5506","0.0012","10.4737","0.0005","90","","90.441","0.003","90","","2385.7","0.2","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","70:30 (±)-4'-methylmethcathinone hydrochloride hydrobromide salt solution","","- C11 H16 Br0.3 Cl0.7 N O -","- C11 H16 Br0.3025 Cl0.6975 N O -","- C88 H128 Br2.42 Cl5.58 N8 O8 -","8","2","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0374","0.0321","","0.0753","0.0698","0.0753","","","","","","1.0369","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216527","27.4599","0.0012","5.6654","0.0002","11.4275","0.0005","90","","92.25","0.002","90","","1776.42","0.13","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 F N2 O3 -","- C21 H20 F N2 O3 -","- C84 H80 F4 N8 O12 -","4","1","","Blagden, N.; Coles, S. J.; Berry, D. J.","Pharmaceutical co-crystals ‒ are we there yet?","CrystEngComm","2014","16","26","5753","","10.1039/c4ce00127c","","","0.71073","MoKα","","0.1033","0.0543","","","0.1219","0.1448","","","","","","1.04","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216528","7.624","0.006","5.8","0.004","36.02","0.03","90","","90.017","0.008","90","","1593","2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N O3 -","- C19 H18 N O3 -","- C76 H72 N4 O12 -","4","1","","Manoj, K.; Tamura, Rui; Takahashi, Hiroki; Tsue, Hirohito","Crystal engineering of homochiral molecular organization of naproxen in cocrystals and their thermal phase transformation studies","CrystEngComm","2014","16","26","5811","","10.1039/c3ce42415d","","","0.71075","MoKα","","0.127","0.0965","","","0.1846","0.198","","","","","","1.189","","","","has coordinates,has disorder","301864","2025-08-22","15:14:35",""
"7216529","7.966","0.004","6.012","0.003","28.985","0.015","90","","91.739","0.007","90","","1387.5","1.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RS-Naproxen-Piperidine","","","- C16 H18 N O3 -","- C16 H18 N O3 -","- C64 H72 N4 O12 -","4","1","","Manoj, K.; Tamura, Rui; Takahashi, Hiroki; Tsue, Hirohito","Crystal engineering of homochiral molecular organization of naproxen in cocrystals and their thermal phase transformation studies","CrystEngComm","2014","16","26","5811","","10.1039/c3ce42415d","","","0.71075","MoKα","","0.1671","0.0928","","","0.1627","0.1936","","","","","","1.101","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216530","15.206","0.006","5.766","0.002","19.37","0.008","90","","111.189","0.005","90","","1583.5","1.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H36 N2 O6 -","- C38 H36 N2 O6 -","- C76 H72 N4 O12 -","2","1","","Manoj, K.; Tamura, Rui; Takahashi, Hiroki; Tsue, Hirohito","Crystal engineering of homochiral molecular organization of naproxen in cocrystals and their thermal phase transformation studies","CrystEngComm","2014","16","26","5811","","10.1039/c3ce42415d","","","0.71075","MoKα","","0.1402","0.0753","","","0.1128","0.1353","","","","","","1.008","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216531","8.029","0.004","6.118","0.003","28.045","0.014","90","","93.99","0.007","90","","1374.3","1.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","S-Naproxen-Piperidine","","","- C32 H36 N2 O6 -","- C32 H36 N2 O6 -","- C64 H72 N4 O12 -","2","1","","Manoj, K.; Tamura, Rui; Takahashi, Hiroki; Tsue, Hirohito","Crystal engineering of homochiral molecular organization of naproxen in cocrystals and their thermal phase transformation studies","CrystEngComm","2014","16","26","5811","","10.1039/c3ce42415d","","","0.71075","MoKα","","0.1382","0.0799","","","0.136","0.167","","","","","","1.021","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216532","6.0536","0.0007","10.5285","0.0016","24.444","0.003","90","","90","","90","","1557.9","0.4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 I N3 O6 -","- C13 H10 I N3 O6 -","- C52 H40 I4 N12 O24 -","4","1","","Jones, Charlotte L.; Wilson, Chick C.; Thomas, Lynne H.","Turning colour on and off using molecular disorder and proton transfer in multi-component molecular complexes","CrystEngComm","2014","16","26","5849","","10.1039/c4ce00229f","","","0.71075","MoKα","","0.0249","0.0211","","","0.0449","0.0505","","","","","","1.154","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216533","9.947","0.007","12.823","0.009","13.02","0.01","94.249","0.016","91.739","0.016","90.493","0.019","1655","2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 I2 N6 O13 -","- C27 H17 I2 N6 O13 -","- C54 H34 I4 N12 O26 -","2","1","","Jones, Charlotte L.; Wilson, Chick C.; Thomas, Lynne H.","Turning colour on and off using molecular disorder and proton transfer in multi-component molecular complexes","CrystEngComm","2014","16","26","5849","","10.1039/c4ce00229f","","","0.71075","MoKα","","0.1317","0.0791","","","0.1856","0.2125","","","","","","1.075","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216534","7.3806","0.0015","9.3433","0.0018","11.754","0.002","80.602","0.005","71.795","0.005","79.46","0.005","752.1","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 I N3 O7 -","- C13 H10 I N3 O7 -","- C26 H20 I2 N6 O14 -","2","1","","Jones, Charlotte L.; Wilson, Chick C.; Thomas, Lynne H.","Turning colour on and off using molecular disorder and proton transfer in multi-component molecular complexes","CrystEngComm","2014","16","26","5849","","10.1039/c4ce00229f","","","0.71075","MoKα","","0.0211","0.0191","","","0.0462","0.0474","","","","","","1.087","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216535","9.0879","0.0011","9.9637","0.0012","10.5749","0.0012","94.099","0.004","103.81","0.004","92.568","0.004","925.6","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 I3 N7 O14 -","- C32 H26 I3 N7 O14 -","- C32 H26 I3 N7 O14 -","1","0.5","","Jones, Charlotte L.; Wilson, Chick C.; Thomas, Lynne H.","Turning colour on and off using molecular disorder and proton transfer in multi-component molecular complexes","CrystEngComm","2014","16","26","5849","","10.1039/c4ce00229f","","","0.71075","MoKα","","0.0657","0.0392","","","0.0788","0.111","","","","","","1.193","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216536","10.756","0.009","5.79","0.004","13.363","0.009","90","","107.859","0.008","90","","792.1","1","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H12 I N3 O6 -","- C14 H12 I N3 O6 -","- C28 H24 I2 N6 O12 -","2","1","","Jones, Charlotte L.; Wilson, Chick C.; Thomas, Lynne H.","Turning colour on and off using molecular disorder and proton transfer in multi-component molecular complexes","CrystEngComm","2014","16","26","5849","","10.1039/c4ce00229f","","","0.71073","MoKα","","0.0133","0.0131","","","0.0332","0.0332","","","","","","1.088","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216537","8.534","0.002","8.769","0.002","11.882","0.008","111.035","0.008","101.327","0.007","95.273","0.007","800.9","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 I N3 O6 -","- C14 H12 I N3 O6 -","- C28 H24 I2 N6 O12 -","2","1","","Jones, Charlotte L.; Wilson, Chick C.; Thomas, Lynne H.","Turning colour on and off using molecular disorder and proton transfer in multi-component molecular complexes","CrystEngComm","2014","16","26","5849","","10.1039/c4ce00229f","","","0.71073","MoKα","","0.019","0.018","","","0.0471","0.0475","","","","","","1.132","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216538","14.0063","0.0003","16.8616","0.0004","7.8007","0.0005","90","","105.402","0.001","90","","1776.12","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MMP","3-6(-Methoxypyridin-3-yl)-5-(4-methylsulfonylphenyl)- pyridine-2-amine","","- C18 H17 N3 O3 S -","- C18 H17 N3 O3 S -","- C72 H68 N12 O12 S4 -","4","1","","Cruickshank, Dyanne L.; Younis, Yassir; Njuguna, Nicholas M.; Ongarora, Dennis S. B.; Chibale, Kelly; Caira, Mino R.","Alternative solid-state forms of a potent antimalarial aminopyridine: X-ray crystallographic, thermal and solubility aspects","CrystEngComm","2014","16","26","5781","","10.1039/c3ce41798k","","","0.71073","MoKα","","0.0585","0.0388","","","0.0913","0.1012","","","","","","1.012","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216539","10.4542","0.0007","10.7365","0.0007","19.2796","0.0012","92.407","0.001","96.173","0.002","105.247","0.001","2070.1","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-6(-Methoxypyridin-3-yl)-5-(4-methylsulfonylphenyl)- pyridine-2-amine. hexanedioic acid","","- C42 H44 N6 O10 S2 -","- C42 H44 N6 O10 S2 -","- C84 H88 N12 O20 S4 -","2","1","","Cruickshank, Dyanne L.; Younis, Yassir; Njuguna, Nicholas M.; Ongarora, Dennis S. B.; Chibale, Kelly; Caira, Mino R.","Alternative solid-state forms of a potent antimalarial aminopyridine: X-ray crystallographic, thermal and solubility aspects","CrystEngComm","2014","16","26","5781","","10.1039/c3ce41798k","","","0.71073","MoKα","","0.0918","0.05","","","0.1131","0.1332","","","","","","0.98","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216540","5.411","0.002","11.572","0.005","18.486","0.008","87.456","0.008","89.447","0.007","84.076","0.008","1150.2","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-6(-Methoxypyridin-3-yl)-5-(4-methylsulfonylphenyl)- pyridine-2-amine.(E)-butenedioate methanolate","","- C23 H25 N3 O8 S -","- C23 H25 N3 O8 S -","- C46 H50 N6 O16 S2 -","2","1","","Cruickshank, Dyanne L.; Younis, Yassir; Njuguna, Nicholas M.; Ongarora, Dennis S. B.; Chibale, Kelly; Caira, Mino R.","Alternative solid-state forms of a potent antimalarial aminopyridine: X-ray crystallographic, thermal and solubility aspects","CrystEngComm","2014","16","26","5781","","10.1039/c3ce41798k","","","0.71073","MoKα","","0.1245","0.1079","","","0.259","0.2707","","","","","","1.029","","","","has coordinates,has disorder","301864","2025-08-22","15:14:35",""
"7216541","18.581","0.002","5.1754","0.0007","23.326","0.003","90","","106.774","0.002","90","","2147.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","007 oxalic acid hydrate salt","3-6(-Methoxypyridin-3-yl)-5-(4-methylsulfonylphenyl)- pyridine-2-amine.ethanedioate tetrahydrate","","- C19 H26 N3 O9 S -","- C19 H26 N3 O9 S -","- C76 H104 N12 O36 S4 -","4","1","","Cruickshank, Dyanne L.; Younis, Yassir; Njuguna, Nicholas M.; Ongarora, Dennis S. B.; Chibale, Kelly; Caira, Mino R.","Alternative solid-state forms of a potent antimalarial aminopyridine: X-ray crystallographic, thermal and solubility aspects","CrystEngComm","2014","16","26","5781","","10.1039/c3ce41798k","","","0.71073","MoKα","","0.0653","0.0434","","","0.1078","0.1187","","","","","","1.055","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216542","13.4221","0.0006","16.746","0.0008","25.6251","0.0012","90","","99.444","0.001","90","","5681.6","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-6(-Methoxypyridin-3-yl)-5-(4-methylsulfonylphenyl)- pyridine-2-amine. 2H-1lamda6,2-benzothiazol-1,1,3-trione salt hydrate","","- C25 H26.97 N4 O8.48 S2 -","- C25 H22 N4 O8.48 S2 -","- C200 H176 N32 O67.84 S16 -","8","1","","Cruickshank, Dyanne L.; Younis, Yassir; Njuguna, Nicholas M.; Ongarora, Dennis S. B.; Chibale, Kelly; Caira, Mino R.","Alternative solid-state forms of a potent antimalarial aminopyridine: X-ray crystallographic, thermal and solubility aspects","CrystEngComm","2014","16","26","5781","","10.1039/c3ce41798k","","","0.71073","MoKα","","0.0625","0.0514","","","0.1365","0.144","","","","","","1.062","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216543","13.232","0.0008","11.6031","0.0007","16.5449","0.001","90","","110.977","0.001","90","","2371.8","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-6(-Methoxypyridin-3-yl)-5-(4-methylsulfonylphenyl)- pyridine-2-amine. 2-hydroxybenzoate salt hydrate","","- C25 H25 N3 O7 S -","- C25 H23 N3 O7 S -","- C100 H92 N12 O28 S4 -","4","1","","Cruickshank, Dyanne L.; Younis, Yassir; Njuguna, Nicholas M.; Ongarora, Dennis S. B.; Chibale, Kelly; Caira, Mino R.","Alternative solid-state forms of a potent antimalarial aminopyridine: X-ray crystallographic, thermal and solubility aspects","CrystEngComm","2014","16","26","5781","","10.1039/c3ce41798k","","","0.71073","MoKα","","0.062","0.0488","","","0.1333","0.1464","","","","","","1.036","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216544","5.4192","0.0007","12.1987","0.0015","19.705","0.003","75.627","0.002","88.814","0.002","89.651","0.002","1261.6","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-6(-Methoxypyridin-3-yl)-5-(4-methylsulfonylphenyl)- pyridine-2-amine. octanedioate salt","","- C26 H31 N3 O7 S -","- C26 H31 N3 O7 S -","- C52 H62 N6 O14 S2 -","2","1","","Cruickshank, Dyanne L.; Younis, Yassir; Njuguna, Nicholas M.; Ongarora, Dennis S. B.; Chibale, Kelly; Caira, Mino R.","Alternative solid-state forms of a potent antimalarial aminopyridine: X-ray crystallographic, thermal and solubility aspects","CrystEngComm","2014","16","26","5781","","10.1039/c3ce41798k","","","0.71073","MoKα","","0.0696","0.0409","","","0.0887","0.0962","","","","","","0.905","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216545","9.5289","0.0003","9.1191","0.0003","8.667","0.0002","90","","90","","90","","753.12","0.04","110","2","110","2","","","","","","","","4","P m n 21","P 2ac -2","31","melamine barbital addition compound","","","- C11 H18 N8 O3 -","- C11 H18 N8 O3 -","- C22 H36 N16 O6 -","2","0.5","","Gryl, M.; Seidler, T.; Stadnicka, K.; Matulková, I.; Němec, I.; Tesařová, N.; Němec, P.","The crystal structure and optical properties of a pharmaceutical co-crystal – the case of the melamine–barbital addition compound","CrystEngComm","2014","16","26","5765","","10.1039/c4ce00178h","","","0.71073","MoKα","","0.0887","0.0453","","","0.09","0.0986","","","","","","0.892","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216546","26.292","0.002","5.2948","0.0004","34.158","0.003","90","","90.598","0.004","90","","4754.9","0.7","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","alpha lipoicacid nicotinamide co-crystal","","","- C14 H20 N2 O3 S2 -","- C14 H20 N2 O3 S2 -","- C168 H240 N24 O36 S24 -","12","3","","Zhao, Lihua; Raval, Vishal; Briggs, Naomi E. B.; Bhardwaj, Rajni M.; McGlone, Thomas; Oswald, Iain D. H.; Florence, Alastair J.","From discovery to scale-up: α-lipoic acid : nicotinamide co-crystals in a continuous oscillatory baffled crystalliser","CrystEngComm","2014","16","26","5769","","10.1039/c4ce00154k","","","0.71073","MoKα","","0.1089","0.0733","","","0.1832","0.2147","","","","","","1.046","","","","has coordinates,has disorder","301864","2025-08-22","15:14:35",""
"7216547","7.482","0.0001","22.751","0.0003","36.294","0.0005","90","","90","","90","","6178.07","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 Cl O3 -","- C22 H31 Cl O3 -","- C264 H372 Cl12 O36 -","12","3","","Ruiz, Alberto; Pérez, Hiram; Morera-Boado, Cercis; Almagro, Luis; da Silva, Cecilia C. P.; Ellena, Javier; García de la Vega, José M.; Martínez-Álvarez, Roberto; Suárez, Margarita; Martín, Nazario","Unusual hydrogen bond patterns contributing to supramolecular assembly: conformational study, Hirshfeld surface analysis and density functional calculations of a new steroid derivative","CrystEngComm","2014","16","33","7802","","10.1039/C4CE00709C","","","0.71073","MoKα","","0.0669","0.0484","","","","0.12","","","","","","1.027","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216548","7.1671","0.0016","14.704","0.003","11.157","0.003","90","","96.747","0.003","90","","1167.6","0.5","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","AsC5H12NO8U","","- C5 H11 As N O8 U -","- C5 H11 As N O8 U -","- C20 H44 As4 N4 O32 U4 -","4","1","","Smith, P. A.; Burns, P. C.","Ionothermal effects on low-dimensionality uranyl compounds using task specific ionic liquids","CrystEngComm","2014","16","31","7244","","10.1039/C4CE00512K","","","0.71073","MoKα","","0.0194","0.0166","","","0.037","0.0381","","","","","","1.08","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7216549","12.3917","0.0015","36.745","0.004","10.2457","0.0012","90","","112.19","0.0013","90","","4319.7","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","C38H40N2O15S4U","","- C38 H40 N2 O15 S4 U -","- C38 H40 N2 O15 S4 U -","- C152 H160 N8 O60 S16 U4 -","4","1","","Smith, P. A.; Burns, P. C.","Ionothermal effects on low-dimensionality uranyl compounds using task specific ionic liquids","CrystEngComm","2014","16","31","7244","","10.1039/C4CE00512K","","","0.71073","MoKα","","0.0496","0.0328","","","0.0677","0.0734","","","","","","1.023","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7216550","28.2107","0.0014","23.9375","0.0012","26.1899","0.0013","90","","90","","90","","17685.9","1.5","293","2","293","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- Cu17 H290 Mo46 N19 Na O317 V18 -","- Cu17 Mo46 Na O310 V18 -","- Cu34 Mo92 Na2 O620 V36 -","2","0.25","","Gao, Qiao; Li, Fengyan; Sun, Minghui; Xu, Lin; Wang, Yuchao; Bai, Jie","Multidimensional all-inorganic frameworks based on new molybdovanadate cluster of [VMo7O28]9−with Cu(ii) linker showing semiconducting behavior","CrystEngComm","2014","16","33","7681","","10.1039/C4CE00831F","","","0.71073","MoKα","","0.1028","0.0657","","","0.1454","0.1569","","","","","","1.061","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216551","14.7333","0.0003","17.2359","0.0006","18.2871","0.0004","96.789","0.002","98.188","0.002","93.537","0.002","4549.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- Cu8 H152 Mo30 N20 O169 V10 -","- Cu8 Mo30 N18 O160 V10 -","- Cu8 Mo30 N18 O160 V10 -","1","0.5","","Gao, Qiao; Li, Fengyan; Sun, Minghui; Xu, Lin; Wang, Yuchao; Bai, Jie","Multidimensional all-inorganic frameworks based on new molybdovanadate cluster of [VMo7O28]9−with Cu(ii) linker showing semiconducting behavior","CrystEngComm","2014","16","33","7681","","10.1039/C4CE00831F","","","0.71073","MoKα","","0.0636","0.0453","","","0.1245","0.135","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216552","53.884","0.005","13.9563","0.0011","26.848","0.002","90","","104.181","0.002","90","","19575","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- Cu11 H144 Mo30 N10 Na O181 V9 -","- Cu11 Mo30 N7 Na O177 V9 -","- Cu44 Mo120 N28 Na4 O708 V36 -","4","0.5","","Gao, Qiao; Li, Fengyan; Sun, Minghui; Xu, Lin; Wang, Yuchao; Bai, Jie","Multidimensional all-inorganic frameworks based on new molybdovanadate cluster of [VMo7O28]9−with Cu(ii) linker showing semiconducting behavior","CrystEngComm","2014","16","33","7681","","10.1039/C4CE00831F","","","0.71073","MoKα","","0.1068","0.0663","","","0.1907","0.215","","","","","","1.004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216553","6.557","0.0003","6.9924","0.0004","19.2094","0.001","90","","90.285","0.004","90","","880.72","0.08","293.21","0.1","293.21","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B6 Cd2 O12 Pb -","- B6 Cd2 O12 Pb -","- B24 Cd8 O48 Pb4 -","4","1","","Hao, Yu-Cheng; Xu, Xiang; Kong, Fang; Song, Jun-Ling; Mao, Jiang-Gao","PbCd2B6O12and EuZnB5O10: syntheses, crystal structures and characterizations of two new mixed metal borates","CrystEngComm","2014","16","33","7689","","10.1039/C4CE00777H","","","0.71073","MoKα","","0.0301","0.0258","","","0.0483","0.0504","","","","","","1.006","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216554","8.6173","0.0005","7.5994","0.0004","9.4036","0.0005","90","","93.358","0.005","90","","614.75","0.06","293","2","293","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B5 Eu O10 Zn -","- B5 Eu O10 Zn -","- B20 Eu4 O40 Zn4 -","4","1","","Hao, Yu-Cheng; Xu, Xiang; Kong, Fang; Song, Jun-Ling; Mao, Jiang-Gao","PbCd2B6O12and EuZnB5O10: syntheses, crystal structures and characterizations of two new mixed metal borates","CrystEngComm","2014","16","33","7689","","10.1039/C4CE00777H","","","0.71073","MoKα","","0.0268","0.0221","","","0.0487","0.0511","","","","","","1.072","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216555","12.947","0.005","15.169","0.005","15.922","0.005","67.605","0.005","82.355","0.005","65.089","0.005","2620.7","1.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H132 Ag20 N2 O23 S10 -","- C63 H132 Ag20 N2 O23 S10 -","- C63 H132 Ag20 N2 O23 S10 -","1","0.5","","Zhou, Kun; Qin, Chao; Wang, Xin-Long; Shao, Kui-Zhan; Yan, Li-Kai; Su, Zhong-Min","Unexpected 1D self-assembly of carbonate-templated sandwich-like macrocycle-based Ag20S10luminescent nanoclusters","CrystEngComm","2014","16","34","7860","","10.1039/C4CE00867G","","","0.71069","MoKα","","0.1109","0.0614","","","0.1519","0.1765","","","","","","0.988","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216556","9.9795","0.0008","10.1903","0.0008","11.6966","0.0009","91.086","0.005","101.528","0.005","118.691","0.004","1013.21","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- B2 K7 O19 P5 -","- B2 K6.995 O19 P5 -","- B4 K13.99 O38 P10 -","2","1","","Wang, Ying; Pan, Shilie; Han, Shujuan; Zhang, Bingbing; Dong, Lingyun; Zhang, Min; Yang, Zhihua","K7B2P5O19: a novel alkali metal borophosphate with zero dimensional [B2P5O19]7−anionic units","CrystEngComm","2014","16","30","6848","","10.1039/C4CE00917G","","","0.71073","MoKα","","0.0583","0.0401","","","0.0939","0.1016","","","","","","1.111","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216617","6.6943","0.0006","15.4475","0.0015","15.5647","0.0015","94.626","0.001","98.453","0.001","101.528","0.001","1549.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H58 N2 O3 -","- C31 H58 N2 O3 -","- C62 H116 N4 O6 -","2","1","","Fang, Yuan; Salamé, Nadime; Woo, Simon; Bohle, D. Scott; Friščić, Tomislav; Cuccia, Louis A.","Rapid and facile solvent-free mechanosynthesis in a cell lysis mill: preparation and mechanochemical complexation of aminobenzoquinones","CrystEngComm","2014","16","31","7180","","10.1039/C4CE00328D","","","0.71073","MoKα","","0.0917","0.0724","","","0.1856","0.202","","","","","","1.069","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216618","7.116","0.002","9.994","0.004","19.147","0.007","81.47","0.009","82.505","0.008","87.191","0.008","1334.5","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Ciprofloxacin diflunisal salt","","","- C30 H26 F3 N3 O6 -","- C30 H26 F3 N3 O6 -","- C60 H52 F6 N6 O12 -","2","1","","Bag, Partha Pratim; Ghosh, Soumyajit; Khan, Hamza; Devarapalli, Ramesh; Malla Reddy, C.","Drug–drug salt forms of ciprofloxacin with diflunisal and indoprofen","CrystEngComm","2014","16","32","7393","","10.1039/C4CE00631C","","","0.71073","MoKα","","0.0822","0.0418","","","0.1122","0.1631","","","","","","0.853","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216619","10.325","0.004","12.615","0.005","12.916","0.005","71.51","0.007","74.334","0.007","70.672","0.007","1479.7","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Ciprofloxacin indoprofen hydrate salt","","","- C34 H35 F N4 O7 -","- C34 H35 F N4 O7 -","- C68 H70 F2 N8 O14 -","2","1","","Bag, Partha Pratim; Ghosh, Soumyajit; Khan, Hamza; Devarapalli, Ramesh; Malla Reddy, C.","Drug–drug salt forms of ciprofloxacin with diflunisal and indoprofen","CrystEngComm","2014","16","32","7393","","10.1039/C4CE00631C","","","0.71073","MoKα","","0.1216","0.0548","","","0.1182","0.1472","","","","","","1.012","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216620","7.943","0.003","12.822","0.005","13.509","0.005","90","","90.626","0.012","90","","1375.7","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cu N4 O10 -","- C26 H22 Cu N4 O10 -","- C52 H44 Cu2 N8 O20 -","2","0.5","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.098","0.0456","","","0.1069","0.1362","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216621","7.7617","0.0002","12.4624","0.0003","13.3308","0.0004","90","","101.243","0.001","90","","1264.73","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Co N4 O10 -","- C26 H26 Co N4 O10 -","- C52 H52 Co2 N8 O20 -","2","0.5","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.0412","0.032","","","0.1034","0.117","","","","","","0.878","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216622","9.3173","0.0006","10.4833","0.0006","14.0375","0.0008","97.468","0.002","96.161","0.002","91.98","0.002","1350.01","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 N4 O10 Zn -","- C26 H18 N4 O10 Zn -","- C52 H36 N8 O20 Zn2 -","2","1","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.0677","0.0522","","","0.1759","0.1944","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216623","8.7935","0.0009","12.2071","0.0013","12.6146","0.0013","96.023","0.004","103.536","0.004","96.686","0.004","1295.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Cd N4 O9 -","- C26 H18 Cd N4 O9 -","- C52 H36 Cd2 N8 O18 -","2","1","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.0365","0.0304","","","0.0893","0.1004","","","","","","1.187","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7216624","7.9016","0.0001","12.7481","0.0002","13.556","0.0002","90","","101.935","0.001","90","","1335.98","0.03","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cd N4 O10 -","- C26 H26 Cd N4 O10 -","- C52 H52 Cd2 N8 O20 -","2","0.5","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.0298","0.0218","","","0.0639","0.0777","","","","","","1.139","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216625","7.7788","0.0003","12.5459","0.0004","13.3501","0.0005","90","","101.483","0.001","90","","1276.79","0.08","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Fe N4 O10 -","- C26 H26 Fe N4 O10 -","- C52 H52 Fe2 N8 O20 -","2","0.5","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.0405","0.0323","","","0.0934","0.1048","","","","","","1.082","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216626","8.8359","0.0006","19.4935","0.0013","8.0415","0.0005","90","","96.394","0.002","90","","1376.47","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Cu N4 O12 -","- C26 H26 Cu N4 O12 -","- C52 H52 Cu2 N8 O24 -","2","0.5","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.0614","0.041","","","0.1103","0.1325","","","","","","1.126","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216627","9.0273","0.0008","9.6688","0.0008","15.3406","0.0012","90","","99.176","0.003","90","","1321.84","0.19","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cu N4 O10 -","- C26 H18 Cu N4 O10 -","- C52 H36 Cu2 N8 O20 -","2","0.5","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.1039","0.0586","","","0.1359","0.1714","","","","","","1.113","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216628","8.793","0.001","9.8082","0.0011","15.5768","0.0018","90","","100.664","0.003","90","","1320.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Co N4 O10 -","- C26 H26 Co N4 O10 -","- C52 H52 Co2 N8 O20 -","2","0.5","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.0269","0.0252","","","0.071","0.072","","","","","","1.049","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216629","10.6479","0.0004","11.0165","0.0005","12.9533","0.0005","106.997","0.002","96.481","0.002","106.063","0.002","1364.97","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 N4 O9 Zn -","- C27 H26 N4 O9 Zn -","- C54 H52 N8 O18 Zn2 -","2","1","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.0438","0.0359","","","0.101","0.1067","","","","","","1.041","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216630","20.3394","0.0016","10.1426","0.0007","14.968","0.0009","90","","104.5","0.005","90","","2989.5","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H31 Cd N4 O11 -","- C28 H25 Cd N4 O11 -","- C112 H100 Cd4 N16 O44 -","4","0.5","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.03","0.0253","","","0.069","0.0715","","","","","","1.12","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216631","16.5778","0.0008","16.9789","0.0008","21.804","0.001","90","","94.606","0.002","90","","6117.4","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Cd2 Cl2 N4 O11 -","- C26 H20 Cd2 Cl2 N4 O11 -","- C208 H160 Cd16 Cl16 N32 O88 -","8","1","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.0528","0.0362","","","0.0988","0.1171","","","","","","1.023","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216632","9.4072","0.0003","12.735","0.0003","17.8919","0.0005","90","","90","","90","","2143.46","0.1","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C104 H80 N16 O24 -","8","1","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.0965","0.0526","","","0.1295","0.1543","","","","","","1.007","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216633","18.1964","0.0007","8.1426","0.0003","3.9569","0.0001","90","","124.043","0.002","90","","485.8","0.03","293","","293","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C6 H6 Ca Cl2 N2 O -","- C6 H6 Ca Cl2 N2 O -","- C12 H12 Ca2 Cl4 N4 O2 -","2","1","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.; Maini, Lucia; Rubini, Katia; Turrina, Alessandro; Zorzi, Federico","Crystal form selectivity by humidity control: the case of the ionic co-crystals of nicotinamide and CaCl2","CrystEngComm","2014","16","32","7452","","10.1039/C4CE00464G","powder diffraction","","1.5406","CuKα","","","","","","","","","","1.222","","","","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216634","17.5215","0.0006","11.4158","0.0004","6.7943","0.0002","90","","90","","90","","1359.01","0.08","293","","293","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C6 H14 Ca Cl2 N2 O5 -","- C6 H6 Ca Cl2 N2 O5 -","- C24 H24 Ca4 Cl8 N8 O20 -","4","1","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.; Maini, Lucia; Rubini, Katia; Turrina, Alessandro; Zorzi, Federico","Crystal form selectivity by humidity control: the case of the ionic co-crystals of nicotinamide and CaCl2","CrystEngComm","2014","16","32","7452","","10.1039/C4CE00464G","powder diffraction","","1.5406","CuKα","","","","","","","","","0.03117","1.46","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7216635","10.18","0.002","11.926","0.002","13.693","0.003","105.79","0.03","97.96","0.03","95.69","0.03","1567.9","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 N11 Nd O13 -","- C24 H24 N11 Nd O13 -","- C48 H48 N22 Nd2 O26 -","2","1","","Xue, Jun-Hui; Hua, Xiao-Hui; Yang, Li-Min; Li, Wei-Hong; Xu, Yi-Zhuang; Zhao, Guo-Zhong; Zhang, Gao-Hui; Liu, Ke-Xin; Chen, Jia-Er; Wu, Jin-Guang","The coordination of lanthanide ions with picolinamide. The influence of different anions","CrystEngComm","2014","16","33","7711","","10.1039/C4CE00606B","","","0.71073","MoKα","","0.0414","0.0376","","","0.1057","0.122","","","","","","1.19","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216636","28.898","0.006","7.76","0.0016","19.778","0.004","90","","104.39","0.03","90","","4296","1.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H22 Cl3 La N4 O7 -","- C12 H22 Cl3 La N4 O7 -","- C96 H176 Cl24 La8 N32 O56 -","8","1","","Xue, Jun-Hui; Hua, Xiao-Hui; Yang, Li-Min; Li, Wei-Hong; Xu, Yi-Zhuang; Zhao, Guo-Zhong; Zhang, Gao-Hui; Liu, Ke-Xin; Chen, Jia-Er; Wu, Jin-Guang","The coordination of lanthanide ions with picolinamide. The influence of different anions","CrystEngComm","2014","16","33","7711","","10.1039/C4CE00606B","","","0.71073","MoKα","","0.0627","0.0537","","","0.1187","0.123","","","","","","1.249","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216637","28.77","0.006","7.739","0.0015","19.629","0.004","90","","104.26","0.03","90","","4235.8","1.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H22 Cl3 N4 Nd O7 -","- C12 H22 Cl3 N4 Nd O7 -","- C96 H176 Cl24 N32 Nd8 O56 -","8","1","","Xue, Jun-Hui; Hua, Xiao-Hui; Yang, Li-Min; Li, Wei-Hong; Xu, Yi-Zhuang; Zhao, Guo-Zhong; Zhang, Gao-Hui; Liu, Ke-Xin; Chen, Jia-Er; Wu, Jin-Guang","The coordination of lanthanide ions with picolinamide. The influence of different anions","CrystEngComm","2014","16","33","7711","","10.1039/C4CE00606B","","","0.71073","MoKα","","0.0276","0.0262","","","0.0598","0.0607","","","","","","1.135","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216638","28.794","0.006","7.7507","0.0016","19.683","0.004","90","","104.34","0.03","90","","4255.9","1.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H22 Cl3 N4 O7 Pr -","- C12 H22 Cl3 N4 O7 Pr -","- C96 H176 Cl24 N32 O56 Pr8 -","8","1","","Xue, Jun-Hui; Hua, Xiao-Hui; Yang, Li-Min; Li, Wei-Hong; Xu, Yi-Zhuang; Zhao, Guo-Zhong; Zhang, Gao-Hui; Liu, Ke-Xin; Chen, Jia-Er; Wu, Jin-Guang","The coordination of lanthanide ions with picolinamide. The influence of different anions","CrystEngComm","2014","16","33","7711","","10.1039/C4CE00606B","","","0.71073","MoKα","","0.0497","0.0419","","","0.0831","0.087","","","","","","1.105","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216639","28.712","0.006","7.7286","0.0015","19.559","0.004","90","","104.11","0.03","90","","4209.3","1.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H22 Cl3 N4 O7 Sm -","- C12 H22 Cl3 N4 O7 Sm -","- C96 H176 Cl24 N32 O56 Sm8 -","8","1","","Xue, Jun-Hui; Hua, Xiao-Hui; Yang, Li-Min; Li, Wei-Hong; Xu, Yi-Zhuang; Zhao, Guo-Zhong; Zhang, Gao-Hui; Liu, Ke-Xin; Chen, Jia-Er; Wu, Jin-Guang","The coordination of lanthanide ions with picolinamide. The influence of different anions","CrystEngComm","2014","16","33","7711","","10.1039/C4CE00606B","","","0.71073","MoKα","","0.0827","0.0747","","","0.1904","0.2011","","","","","","1.18","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216640","28.616","0.006","7.7264","0.0015","19.526","0.004","90","","104.04","0.03","90","","4188.2","1.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H22 Cl3 Gd N4 O7 -","- C12 H22 Cl3 Gd N4 O7 -","- C96 H176 Cl24 Gd8 N32 O56 -","8","1","","Xue, Jun-Hui; Hua, Xiao-Hui; Yang, Li-Min; Li, Wei-Hong; Xu, Yi-Zhuang; Zhao, Guo-Zhong; Zhang, Gao-Hui; Liu, Ke-Xin; Chen, Jia-Er; Wu, Jin-Guang","The coordination of lanthanide ions with picolinamide. The influence of different anions","CrystEngComm","2014","16","33","7711","","10.1039/C4CE00606B","","","0.71073","MoKα","","0.0396","0.0357","","","0.1016","0.1163","","","","","","1.238","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216641","8.6514","0.0017","9.1529","0.0018","14.048","0.003","96.25","0.03","99.78","0.03","105.83","0.03","1040.4","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H22 Cl3 Er N4 O7 -","- C12 H22 Cl3 Er N4 O7 -","- C24 H44 Cl6 Er2 N8 O14 -","2","1","","Xue, Jun-Hui; Hua, Xiao-Hui; Yang, Li-Min; Li, Wei-Hong; Xu, Yi-Zhuang; Zhao, Guo-Zhong; Zhang, Gao-Hui; Liu, Ke-Xin; Chen, Jia-Er; Wu, Jin-Guang","The coordination of lanthanide ions with picolinamide. The influence of different anions","CrystEngComm","2014","16","33","7711","","10.1039/C4CE00606B","","","0.71073","MoKα","","0.0254","0.0246","","","0.0679","0.0684","","","","","","1.201","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216642","29.485","0.006","7.878","0.0016","20.344","0.004","90","","103.39","0.03","90","","4597.1","1.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H22 Br3 N4 O7 Pr -","- C12 H22 Br3 N4 O7 Pr -","- C96 H176 Br24 N32 O56 Pr8 -","8","1","","Xue, Jun-Hui; Hua, Xiao-Hui; Yang, Li-Min; Li, Wei-Hong; Xu, Yi-Zhuang; Zhao, Guo-Zhong; Zhang, Gao-Hui; Liu, Ke-Xin; Chen, Jia-Er; Wu, Jin-Guang","The coordination of lanthanide ions with picolinamide. The influence of different anions","CrystEngComm","2014","16","33","7711","","10.1039/C4CE00606B","","","0.71073","MoKα","","0.082","0.0646","","","0.1693","0.1984","","","","","","1.221","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216643","7.4217","0.0003","23.8402","0.0008","11.7942","0.0004","90","","99.776","0.004","90","","2056.5","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 N2 -","- C27 H26 N2 -","- C108 H104 N8 -","4","1","","Yasmin, Lyzu; Eggers, Paul K.; Skelton, Brian W.; Stubbs, Keith A.; Raston, Colin L.","Thin film microfluidic synthesis of fluorescent highly substituted pyridines","Green Chemistry","2014","16","7","3450","","10.1039/c4gc00881b","","","0.71073","MoKα","","0.1015","0.0824","","","0.1897","0.2007","","","","","","1.143","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216644","11.8935","0.0005","13.1976","0.0006","33.9681","0.0016","90","","90","","90","","5331.8","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H30 Cl2 N3 P Ru -","- C28 H30 Cl2 N3 P Ru -","- C224 H240 Cl16 N24 P8 Ru8 -","8","1","","Li, Wei; Xie, Jian-Hua; Yuan, Ming-Lei; Zhou, Qi-Lin","Ruthenium complexes of tetradentate bipyridine ligands: highly efficient catalysts for the hydrogenation of carboxylic esters and lactones","Green Chemistry","2014","16","9","4081","","10.1039/C4GC00835A","","","0.71075","MoKα","","0.0705","0.0659","","","0.1255","0.1273","","","","","","1.293","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216645","14.3564","0.0012","13.8963","0.0012","18.4197","0.0015","90","","90","","90","","3674.7","0.5","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C6 H44 Mo6 N6 O29.5 P -","- C6 H13 Mo6 N6 O29.5 P -","- C24 H52 Mo24 N24 O118 P4 -","4","1","","Yang, Donghui; Liang, Yanfen; Ma, Pengtao; Li, Suzhi; Wang, Jingping; Niu, Jingyang","Self assembly of carboxylate/alcoholate functionalized ring-shape phosphomolybdates","CrystEngComm","2014","16","34","8041","","10.1039/C4CE00580E","","","0.71073","MoKα","","0.0325","0.0307","","","0.0825","0.0837","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216646","14.932","0.005","13.158","0.004","23.575","0.007","90","","90","","90","","4632","3","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C18 H44 Mo6 N8 Na O34 P -","- C18 H30 Mo6 N8 Na O34 P -","- C72 H120 Mo24 N32 Na4 O136 P4 -","4","0.5","","Yang, Donghui; Liang, Yanfen; Ma, Pengtao; Li, Suzhi; Wang, Jingping; Niu, Jingyang","Self assembly of carboxylate/alcoholate functionalized ring-shape phosphomolybdates","CrystEngComm","2014","16","34","8041","","10.1039/C4CE00580E","","","0.71073","MoKα","","0.0356","0.0323","","","0.0852","0.0874","","","","","","1.058","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216647","24.95","0.008","21.344","0.007","21.084","0.006","90","","120.51","0.006","90","","9673","5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H51 Mo6 N6 O36 P -","- C21 H18 Mo6 N6 O36 P -","- C168 H144 Mo48 N48 O288 P8 -","8","1","","Yang, Donghui; Liang, Yanfen; Ma, Pengtao; Li, Suzhi; Wang, Jingping; Niu, Jingyang","Self assembly of carboxylate/alcoholate functionalized ring-shape phosphomolybdates","CrystEngComm","2014","16","34","8041","","10.1039/C4CE00580E","","","0.71073","MoKα","","0.0698","0.0431","","","0.1046","0.121","","","","","","1.035","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216648","12.375","0.002","12.611","0.003","18.842","0.004","79.892","0.004","89.735","0.004","70.484","0.003","2723.9","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H49 Mo6 N5 O38 P -","- C21 H15 Mo6 N5 O38 P -","- C42 H30 Mo12 N10 O76 P2 -","2","1","","Yang, Donghui; Liang, Yanfen; Ma, Pengtao; Li, Suzhi; Wang, Jingping; Niu, Jingyang","Self assembly of carboxylate/alcoholate functionalized ring-shape phosphomolybdates","CrystEngComm","2014","16","34","8041","","10.1039/C4CE00580E","","","0.71073","MoKα","","0.0625","0.0504","","","0.1708","0.1794","","","","","","1.062","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216649","15.184","0.006","17.929","0.007","16.115","0.006","90","","117.472","0.006","90","","3892","3","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C12 H66 Mo12 N10 O60 P2 -","- C12 H12 Mo12 N10 O60 P2 -","- C24 H24 Mo24 N20 O120 P4 -","2","0.5","","Yang, Donghui; Liang, Yanfen; Ma, Pengtao; Li, Suzhi; Wang, Jingping; Niu, Jingyang","Self assembly of carboxylate/alcoholate functionalized ring-shape phosphomolybdates","CrystEngComm","2014","16","34","8041","","10.1039/C4CE00580E","","","0.71073","MoKα","","0.1559","0.1098","","","0.3193","0.3417","","","","","","1.043","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216650","18.1471","0.0018","26.828","0.003","19.2959","0.0019","90","","115.157","0.002","90","","8503.1","1.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H79 Mo12 N10 O60.5 P2 -","- C18 H24 Mo12 N10 O60.5 P2 -","- C72 H96 Mo48 N40 O242 P8 -","4","1","","Yang, Donghui; Liang, Yanfen; Ma, Pengtao; Li, Suzhi; Wang, Jingping; Niu, Jingyang","Self assembly of carboxylate/alcoholate functionalized ring-shape phosphomolybdates","CrystEngComm","2014","16","34","8041","","10.1039/C4CE00580E","","","0.71073","MoKα","","0.1712","0.0685","","","0.1587","0.188","","","","","","1.01","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216651","20.299","0.007","6.988","0.004","6.747","0.003","90","","99.2","0.04","90","","944.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","semicarbazide 5 metastable polymorph","N-(4-chlorobenzamide)urea","","- C8 H8 Cl N3 O2 -","- C8 H8 Cl N3 O2 -","- C32 H32 Cl4 N12 O8 -","4","1","","Centore, Roberto; Causà, Mauro; Cerciello, Francesca; Capone, Fabio; Fusco, Sandra","Orthogonal H-bonding synthons, actual and virtual structures in molecular crystals: a case study","CrystEngComm","2014","16","39","9168","","10.1039/C4CE00956H","","x-ray","0.71073","MoKα","","0.0837","0.0577","","","0.1254","0.1363","","","","","","1.121","","","","has coordinates,has disorder","301864","2025-08-22","15:14:35",""
"7216652","4.524","0.003","23.583","0.007","9.537","0.004","90","","108.39","0.02","90","","965.5","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(4-nitrophenylbenzamido)urea","","- C8 H8 N4 O4 -","- C8 H8 N4 O4 -","- C32 H32 N16 O16 -","4","1","","Centore, Roberto; Causà, Mauro; Cerciello, Francesca; Capone, Fabio; Fusco, Sandra","Orthogonal H-bonding synthons, actual and virtual structures in molecular crystals: a case study","CrystEngComm","2014","16","39","9168","","10.1039/C4CE00956H","","x-ray","0.71073","MoKα","","0.084","0.049","","","0.1047","0.121","","","","","","1.023","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216653","4.508","0.003","24.111","0.007","9.612","0.004","90","","105.38","0.03","90","","1007.3","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(4-cyanobenzamide)urea","","- C9 H8 N4 O2 -","- C9 H8 N4 O2 -","- C36 H32 N16 O8 -","4","1","","Centore, Roberto; Causà, Mauro; Cerciello, Francesca; Capone, Fabio; Fusco, Sandra","Orthogonal H-bonding synthons, actual and virtual structures in molecular crystals: a case study","CrystEngComm","2014","16","39","9168","","10.1039/C4CE00956H","","x-ray","0.71073","MoKα","","0.1524","0.0822","","","0.2468","0.2852","","","","","","1.09","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216654","4.513","0.002","20.038","0.007","9.619","0.005","90","","106.34","0.02","90","","834.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(isonicotinoamido)urea","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C28 H32 N16 O8 -","4","1","","Centore, Roberto; Causà, Mauro; Cerciello, Francesca; Capone, Fabio; Fusco, Sandra","Orthogonal H-bonding synthons, actual and virtual structures in molecular crystals: a case study","CrystEngComm","2014","16","39","9168","","10.1039/C4CE00956H","","x-ray","0.71073","MoKα","","0.0932","0.0484","","","0.0967","0.111","","","","","","1.066","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216655","7.785","0.004","13.578","0.006","8.459","0.004","90","","99.74","0.02","90","","881.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(4-fluorobenzamide)urea","","- C8 H8 F N3 O2 -","- C8 H8 F N3 O2 -","- C32 H32 F4 N12 O8 -","4","1","","Centore, Roberto; Causà, Mauro; Cerciello, Francesca; Capone, Fabio; Fusco, Sandra","Orthogonal H-bonding synthons, actual and virtual structures in molecular crystals: a case study","CrystEngComm","2014","16","39","9168","","10.1039/C4CE00956H","","x-ray","0.71073","MoKα","","0.082","0.0623","","","0.2158","0.2268","","","","","","1.215","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216656","6.786","0.004","4.604","0.003","30.169","0.008","90","","90.76","0.03","90","","942.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(4-chlorobenzamide)urea","","- C8 H8 Cl N3 O2 -","- C8 H8 Cl N3 O2 -","- C32 H32 Cl4 N12 O8 -","4","1","","Centore, Roberto; Causà, Mauro; Cerciello, Francesca; Capone, Fabio; Fusco, Sandra","Orthogonal H-bonding synthons, actual and virtual structures in molecular crystals: a case study","CrystEngComm","2014","16","39","9168","","10.1039/C4CE00956H","","x-ray","0.71073","MoKα","","0.0878","0.0448","","","0.0931","0.1114","","","","","","0.983","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216657","12.972","0.0011","5.0426","0.0004","17.0878","0.0015","90","","92.47","0.004","90","","1116.72","0.16","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","TW-1-107 [2-(4-pyridyl)-imidazole]2, 1,4-diiodotetrafluorobenzene","","- C22 H14 F4 I2 N6 -","- C22 H14 F4 I2 N6 -","- C44 H28 F8 I4 N12 -","2","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0329","0.0256","","","0.0589","0.0622","","","","","","1.058","","","","has coordinates,has disorder","301864","2025-08-22","15:14:35",""
"7216658","12.3214","0.0007","8.9036","0.0005","9.8742","0.0006","90","","100.493","0.001","90","","1065.13","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F4 I2 N6 -","- C18 H14 F4 I2 N6 -","- C36 H28 F8 I4 N12 -","2","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0224","0.0215","","","0.0564","0.057","","","","","","1.037","","","","has coordinates,has disorder","301864","2025-08-22","15:14:35",""
"7216659","14.35","0.0009","8.7642","0.0005","9.9637","0.0006","90","","106.551","0.002","90","","1201.18","0.13","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","TW-2-07 [2-(3-pyridyl)-imidazole]2, I-(CF2)4-I","","- C20 H14 F8 I2 N6 -","- C20 H14 F8 I2 N6 -","- C40 H28 F16 I4 N12 -","2","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0321","0.0284","","","0.0626","0.0639","","","","","","1.11","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216660","10.0009","0.0013","28.964","0.004","4.1036","0.0006","90","","100.997","0.002","90","","1166.8","0.3","100","2","100","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C22 H14 F4 I2 N6 -","- C22 H14 F4 I2 N6 -","- C44 H28 F8 I4 N12 -","2","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0221","0.0203","","","0.0462","0.047","","","","","","1.024","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216661","4.1462","0.0003","27.9646","0.0017","9.9124","0.0006","90","","100.094","0.002","90","","1131.52","0.13","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","TW-2-27 [2-(3-pyridyl)-imidazole]2, 1,4-diiodotetrafluorobenzene","","- C22 H14 F4 I2 N6 -","- C22 H14 F4 I2 N6 -","- C44 H28 F8 I4 N12 -","2","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0301","0.0254","","","0.0586","0.0607","","","","","","1.022","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216662","32.4147","0.0016","9.9354","0.0005","7.4776","0.0004","90","","90","","90","","2408.2","0.2","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","TW-1-57 [2-(3-pyridyl)-imidazole]2, 1,3,5-F3-2,4,6-I3-benzene","","- C22 H14 F3 I3 N6 -","- C22 H14 F3 I3 N6 -","- C88 H56 F12 I12 N24 -","4","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.042","0.0343","","","0.0781","0.0805","","","","","","1.157","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216663","4.2333","0.0003","32.768","0.002","9.9627","0.0008","90","","93.76","0.001","90","","1379.02","0.17","120","2","120","2","","","","","","","","5","P 1 c 1","P -2yc","7","","TW-1-67 [2-(3-pyridyl)-imidazole], 4,4'-diiodo-F8-biphenyl","","- C28 H14 F8 I2 N6 -","- C28 H14 F8 I2 N6 -","- C56 H28 F16 I4 N12 -","2","1","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0216","0.0205","","","0.0475","0.048","","","","","","1.027","","","","has coordinates,has disorder","301864","2025-08-22","15:14:35",""
"7216664","4.0019","0.0011","28.546","0.008","9.972","0.003","90","","98.464","0.008","90","","1126.8","0.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","TW-1-47 [2-(3-pyridyl)-imidazole]2, 1-bromo-4-iodotetrafluorobenzene","","- C22 H14 Br F4 I N6 -","- C22 H14 Br F4 I N6 -","- C44 H28 Br2 F8 I2 N12 -","2","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.1276","0.1103","","","0.2375","0.2432","","","","","","1.348","","","","has coordinates,has disorder","301864","2025-08-22","15:14:35",""
"7216665","5.1393","0.0006","11.0259","0.0012","15.2795","0.0017","92.084","0.003","91.221","0.003","100.093","0.003","851.52","0.17","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","TW-2-13 [2-(2-pyridyl)-imidazole]3, I-(CF2)6-I","","- C30 H21 F12 I2 N9 -","- C30 H21 F12 I2 N9 -","- C30 H21 F12 I2 N9 -","1","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","1.54178","CuKα","","0.0391","0.0368","","","0.1201","0.1302","","","","","","1.257","","","","has coordinates,has disorder","301864","2025-08-22","15:14:35",""
"7216666","9.392","0.0005","10.5244","0.0006","17.4011","0.001","106.841","0.002","92.19","0.002","106.005","0.002","1569.34","0.15","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","TW-1-R38 2-(2-pyridyl)-imidazole, 1,4-diiodotetrafluorobenzene","","- C14 H7 F4 I2 N3 -","- C14 H7 F4 I2 N3 -","- C56 H28 F16 I8 N12 -","4","2","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0321","0.027","","","0.0654","0.0688","","","","","","1.056","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216667","24.4359","0.0012","7.2667","0.0004","16.3695","0.0008","90","","109.713","0.001","90","","2736.4","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","TW-1-68 [2-(2-pyridyl)-imidazole]2, 4,4'-diiodo-F8-biphenyl","","- C28 H14 F8 I2 N6 -","- C28 H14 F8 I2 N6 -","- C112 H56 F32 I8 N24 -","4","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0251","0.0231","","","0.0559","0.057","","","","","","1.029","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216668","6.1488","0.0007","6.3967","0.0007","15.8942","0.0019","81.861","0.004","85.95","0.004","72.388","0.003","589.59","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","TW-2-09 2-(2-pyrazinyl)-imidazole, I-(CF2)4-I","","- C18 H12 F8 I2 N8 -","- C18 H12 F8 I2 N8 -","- C18 H12 F8 I2 N8 -","1","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.049","0.0314","","","0.1023","0.1144","","","","","","1.14","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216669","11.0717","0.0006","10.625","0.0006","10.1858","0.0006","90","","108.814","0.002","90","","1134.2","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","TW-1-M1 2-(2-pyrazinyl)-imidazole, 1,4-diiodotetrafluorobenzene, I-(CF2)4-I","","- C20 H12 F4 I2 N8 -","- C20 H12 F4 I2 N8 -","- C40 H24 F8 I4 N16 -","2","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0249","0.0219","","","0.058","0.0595","","","","","","1.077","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216670","33.0655","0.0016","9.8284","0.0005","7.3176","0.0003","90","","90","","90","","2378.08","0.19","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","TW-1-59 [2-(2-pyrazinyl)-imidazole]2, 1,3,5-F3-2,4,6-I3-benzene","","- C20 H12 F3 I3 N8 -","- C20 H12 F2.5 I3 N8 -","- C80 H48 F10 I12 N32 -","4","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0269","0.0212","","","0.046","0.048","","","","","","1.046","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216671","7.6527","0.0004","12.7331","0.0007","15.4446","0.0009","67.32","0.001","88.558","0.002","81.616","0.001","1372.95","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","TW-1-69 [2-(2-pyrazinyl)-imidazole]2, 4,4'-diiodo-F8-biphenyl","","- C26 H12 F8 I2 N8 -","- C26 H12 F8 I2 N8 -","- C52 H24 F16 I4 N16 -","2","1","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0234","0.021","","","0.0505","0.0516","","","","","","1.041","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216672","18.175","0.003","8.3359","0.0014","20.6","0.004","90","","91.868","0.003","90","","3119.3","1","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 K La N4 O10.5 S2 -","- C8 H5 K La N4 O10.5 S2 -","- C64 H40 K8 La8 N32 O84 S16 -","8","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0253","0.021","","","0.0499","0.0526","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216673","18.1735","0.0007","8.3436","0.0003","20.5557","0.0008","90","","91.699","0.001","90","","3115.5","0.2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 Ce K N4 O10.5 S2 -","- C8 H5 Ce K N4 O10.5 S2 -","- C64 H40 Ce8 K8 N32 O84 S16 -","8","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.021","0.0187","","","0.0475","0.0494","","","","","","1.089","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216674","18.1389","0.0014","8.3629","0.0006","20.4829","0.0015","90","","91.505","0.001","90","","3106.1","0.4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 K N4 O10.5 Pr S2 -","- C8 H5 K N4 O10.5 Pr S2 -","- C64 H40 K8 N32 O84 Pr8 S16 -","8","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0226","0.0196","","","0.043","0.0446","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216675","18.077","0.004","8.3675","0.0017","20.38","0.004","90","","91.14","0.03","90","","3082.1","1.1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 K N4 Nd O10.5 S2 -","- C8 H5 K N4 Nd O10.5 S2 -","- C64 H40 K8 N32 Nd8 O84 S16 -","8","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0309","0.0227","","","0.0437","0.0464","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216676","18.031","0.0018","8.3836","0.0008","20.254","0.002","90","","90.938","0.001","90","","3061.3","0.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 K N4 O10.5 S2 Sm -","- C8 H5 K N4 O10.5 S2 Sm -","- C64 H40 K8 N32 O84 S16 Sm8 -","8","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0299","0.028","","","0.0645","0.0652","","","","","","1.258","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216677","18.017","0.007","8.423","0.004","20.231","0.008","90","","90.709","0.006","90","","3070","2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 Eu K N4 O10.5 S2 -","- C8 H5 Eu K N4 O10.5 S2 -","- C64 H40 Eu8 K8 N32 O84 S16 -","8","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0212","0.0193","","","0.0452","0.0463","","","","","","1.064","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216678","17.9598","0.0011","8.3889","0.0005","20.1191","0.0013","90","","90.639","0.001","90","","3031","0.3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 Gd K N4 O10.5 S2 -","- C8 H5 Gd K N4 O10.5 S2 -","- C64 H40 Gd8 K8 N32 O84 S16 -","8","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0198","0.0181","","","0.042","0.0428","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216679","17.9851","0.0018","8.41","0.0008","20.1083","0.0019","90","","90.563","0.002","90","","3041.3","0.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 K N4 O10.5 S2 Tb -","- C8 H5 K N4 O10.5 S2 Tb -","- C64 H40 K8 N32 O84 S16 Tb8 -","8","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0199","0.019","","","0.0455","0.0461","","","","","","1.083","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216680","8.2691","0.0006","10.3254","0.0007","10.9614","0.0012","102.769","0.001","109.274","0.001","111.52","0.001","756.93","0.11","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H14 K2 La2 N4 O21 S2 -","- C16 H12 K2 La2 N4 O21 S2 -","- C16 H12 K2 La2 N4 O21 S2 -","1","0.5","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0261","0.0234","","","0.0622","0.0637","","","","","","1.092","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216681","8.2471","0.0012","10.2753","0.0014","10.915","0.002","102.534","0.003","109.195","0.003","112.16","0.002","745","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H14 Ce2 K2 N4 O21 S2 -","- C16 H12 Ce2 K2 N4 O21 S2 -","- C16 H12 Ce2 K2 N4 O21 S2 -","1","0.5","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0444","0.0384","","","0.0814","0.0852","","","","","","1.048","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216682","7.0404","0.0003","13.0015","0.0006","13.7338","0.0006","90","","100.881","0.001","90","","1234.53","0.09","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H4 La2 N6 O14 S3 -","- C12 La2 N6 O14 S3 -","- C24 La4 N12 O28 S6 -","2","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0283","0.0279","","","0.0908","0.091","","","","","","1.102","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216683","6.975","0.005","12.901","0.008","13.551","0.009","90","","100.729","0.011","90","","1198.1","1.4","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H4 Ce2 N6 O14 S3 -","- C12 Ce2 N6 O14 S3 -","- C24 Ce4 N12 O28 S6 -","2","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0766","0.0718","","","0.1759","0.1796","","","","","","1.007","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216684","18.7481","0.0018","20.0714","0.0019","32.865","0.003","90","","98.535","0.001","90","","12230","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C155 H111 Co10 N9 O43 -","- C155 H95 Co10 N9 O43 -","- C310 H190 Co20 N18 O86 -","2","0.5","","Ding, Tao; Ren, Li-Di; Du, Xiao-Di; Quan, Li; Gao, Zi-Wei; Zhang, Wei-Qiang; Zheng, Chang-Zheng","Six new coordination polymers based on a tritopic pyridyldicarboxylate ligand: structural, magnetic and sorption properties","CrystEngComm","2014","16","33","7790","","10.1039/C4CE00890A","","","0.71073","MoKα","","0.1164","0.064","","","0.1975","0.2584","","","","","","1.093","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216685","22.476","0.005","7.706","0.0018","22.255","0.005","90","","102.056","0.011","90","","3769.6","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H28 Co3 N2 O14 -","- C40 H24 Co3 N2 O14 -","- C160 H96 Co12 N8 O56 -","4","0.5","","Ding, Tao; Ren, Li-Di; Du, Xiao-Di; Quan, Li; Gao, Zi-Wei; Zhang, Wei-Qiang; Zheng, Chang-Zheng","Six new coordination polymers based on a tritopic pyridyldicarboxylate ligand: structural, magnetic and sorption properties","CrystEngComm","2014","16","33","7790","","10.1039/C4CE00890A","","","0.71073","MoKα","","0.0315","0.0288","","","0.0798","0.0817","","","","","","1.063","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216686","17.343","0.017","15.231","0.015","8.426","0.012","90","","117.09","0.02","90","","1982","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N2 O5 Zn -","- C19 H11 N O4 Zn -","- C76 H44 N4 O16 Zn4 -","4","0.5","","Ding, Tao; Ren, Li-Di; Du, Xiao-Di; Quan, Li; Gao, Zi-Wei; Zhang, Wei-Qiang; Zheng, Chang-Zheng","Six new coordination polymers based on a tritopic pyridyldicarboxylate ligand: structural, magnetic and sorption properties","CrystEngComm","2014","16","33","7790","","10.1039/C4CE00890A","","","0.71073","MoKα","","0.0404","0.0366","","","0.107","0.1088","","","","","","1.152","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216687","9.69","0.003","11.998","0.004","19.891","0.007","96.548","0.004","99.122","0.004","113.712","0.004","2049.7","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H36 Co2 N4 O12 -","- C38 H22 Co2 N2 O10 -","- C76 H44 Co4 N4 O20 -","2","1","","Ding, Tao; Ren, Li-Di; Du, Xiao-Di; Quan, Li; Gao, Zi-Wei; Zhang, Wei-Qiang; Zheng, Chang-Zheng","Six new coordination polymers based on a tritopic pyridyldicarboxylate ligand: structural, magnetic and sorption properties","CrystEngComm","2014","16","33","7790","","10.1039/C4CE00890A","","","0.71073","MoKα","","0.0571","0.051","","","0.1576","0.166","","","","","","1.129","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216688","9.6769","0.0017","10.0627","0.0018","12.108","0.002","72.146","0.002","66.911","0.002","74.995","0.002","1019.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Mn N2 O6 -","- C22 H18 Mn N2 O6 -","- C44 H36 Mn2 N4 O12 -","2","1","","Ding, Tao; Ren, Li-Di; Du, Xiao-Di; Quan, Li; Gao, Zi-Wei; Zhang, Wei-Qiang; Zheng, Chang-Zheng","Six new coordination polymers based on a tritopic pyridyldicarboxylate ligand: structural, magnetic and sorption properties","CrystEngComm","2014","16","33","7790","","10.1039/C4CE00890A","","","0.71073","MoKα","","0.0796","0.06","","","0.1709","0.203","","","","","","1.122","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216689","10.469","0.01","10.611","0.011","11.429","0.011","89.177","0.014","65.827","0.013","66.661","0.013","1046.8","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Co N2 O5 -","- C22 H18 Co N2 O5 -","- C44 H36 Co2 N4 O10 -","2","1","","Ding, Tao; Ren, Li-Di; Du, Xiao-Di; Quan, Li; Gao, Zi-Wei; Zhang, Wei-Qiang; Zheng, Chang-Zheng","Six new coordination polymers based on a tritopic pyridyldicarboxylate ligand: structural, magnetic and sorption properties","CrystEngComm","2014","16","33","7790","","10.1039/C4CE00890A","","","0.71073","MoKα","","0.0727","0.064","","","0.1829","0.1916","","","","","","1.041","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216690","10.0616","0.0008","12.9846","0.0011","13.0016","0.0011","75.44","0.002","78.837","0.002","83.287","0.002","1608.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H34 Cu3 N16 O20 -","- C48 H34 Cu3 N16 O20 -","- C48 H34 Cu3 N16 O20 -","1","0.5","","Chen, Jin-Xiang; Zhao, Hai-Qing; Li, Huan-Huan; Huang, Sheng-Li; Ding, Ni-Ni; Chen, Wen-Hua; Young, David J.; Zhang, Wen-Hua; Andy Hor, T. S.","Bent tritopic carboxylates for coordination networks: clues to the origin of self-penetration","CrystEngComm","2014","16","33","7722","","10.1039/C4CE00830H","","","0.71073","MoKα","","0.0836","0.0771","","","0.2283","0.2358","","","","","","1.098","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216691","7.1089","0.0014","13.125","0.003","13.376","0.003","93.524","0.003","93.563","0.003","99.823","0.004","1224.1","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 Cu N3 O12 -","- C21 H27 Cu N3 O12 -","- C42 H54 Cu2 N6 O24 -","2","1","","Chen, Jin-Xiang; Zhao, Hai-Qing; Li, Huan-Huan; Huang, Sheng-Li; Ding, Ni-Ni; Chen, Wen-Hua; Young, David J.; Zhang, Wen-Hua; Andy Hor, T. S.","Bent tritopic carboxylates for coordination networks: clues to the origin of self-penetration","CrystEngComm","2014","16","33","7722","","10.1039/C4CE00830H","","","0.71073","MoKα","","0.0364","0.0335","","","0.0901","0.0923","","","","","","1.031","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216692","13.9922","0.0013","15.9422","0.0015","16.2434","0.0015","70.832","0.002","69.321","0.002","88.235","0.002","3187.1","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C105 H69 Cu3 N17 O32 -","- C105 H69 Cu3 N17 O32 -","- C105 H69 Cu3 N17 O32 -","1","0.5","","Chen, Jin-Xiang; Zhao, Hai-Qing; Li, Huan-Huan; Huang, Sheng-Li; Ding, Ni-Ni; Chen, Wen-Hua; Young, David J.; Zhang, Wen-Hua; Andy Hor, T. S.","Bent tritopic carboxylates for coordination networks: clues to the origin of self-penetration","CrystEngComm","2014","16","33","7722","","10.1039/C4CE00830H","","","0.71073","MoKα","","0.0896","0.0737","","","0.2108","0.2254","","","","","","1.069","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216693","30.925","0.003","13.245","0.0011","19.2577","0.0015","90","","106.047","0.002","90","","7580.6","1.1","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H48 Cu3 N10 O21 -","- C66 H48 Cu3 N10 O21 -","- C264 H192 Cu12 N40 O84 -","4","0.5","","Chen, Jin-Xiang; Zhao, Hai-Qing; Li, Huan-Huan; Huang, Sheng-Li; Ding, Ni-Ni; Chen, Wen-Hua; Young, David J.; Zhang, Wen-Hua; Andy Hor, T. S.","Bent tritopic carboxylates for coordination networks: clues to the origin of self-penetration","CrystEngComm","2014","16","33","7722","","10.1039/C4CE00830H","","","0.71073","MoKα","","0.1","0.0787","","","0.2443","0.2613","","","","","","1.062","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216694","10.2704","0.0004","10.7807","0.0005","11.5645","0.0006","73.454","0.001","84.803","0.002","62.697","0.001","1089.47","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 B F2 N3 O -","- C26 H24 B F2 N3 O -","- C52 H48 B2 F4 N6 O2 -","2","1","","Pan, Zhong-Hua; Zhou, Jing-Wei; Luo, Geng-Geng","Experimental and theoretical study of enol-keto prototropic tautomerism and photophysics of azomethine-BODIPY dyads.","Physical chemistry chemical physics : PCCP","2014","16","30","16290","16301","10.1039/c4cp02151g","","","0.71073","MoKα","","0.0749","0.0408","","","0.1139","0.1688","","","","","","1.188","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216695","9.2908","0.0007","10.8702","0.0008","13.9066","0.0012","102.09","0.007","94.075","0.007","114.538","0.007","1229.41","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H26 B F2 N3 O -","- C30 H26 B F2 N3 O -","- C60 H52 B2 F4 N6 O2 -","2","1","","Pan, Zhong-Hua; Zhou, Jing-Wei; Luo, Geng-Geng","Experimental and theoretical study of enol-keto prototropic tautomerism and photophysics of azomethine-BODIPY dyads.","Physical chemistry chemical physics : PCCP","2014","16","30","16290","16301","10.1039/c4cp02151g","","","0.71073","MoKα","","0.0556","0.0397","","","0.0969","0.1045","","","","","","1.027","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216702","22.267","0.003","22.267","0.003","23.162","0.003","90","","90","","90","","11484","3","298","2","298","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C40 H48 Cu4 I4 N16 O10 -","- C40 H48 Cu4 I4 N16 O10 -","- C320 H384 Cu32 I32 N128 O80 -","8","0.5","","Hong, Xu-Jia; Liu, Xiang; Zhang, Jing-Bo; Lin, Chu-Ling; Wu, Xiao; Ou, Yan-Jun; Yang, Jian; Jin, Hong-Guang; Cai, Yue-Peng","Two low-dimensional Schiff base copper(i/ii) complexes: synthesis, characterization and catalytic activity for degradation of organic dyes","CrystEngComm","2014","16","34","7926","","10.1039/C4CE01207K","","","0.71073","MoKα","","0.1293","0.0591","","","0.1323","0.1712","","","","","","1.012","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216703","16.408","0.005","23.207","0.007","16.67","0.005","90","","98.473","0.005","90","","6278","3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H47 Cu6 I6 N17 O8 -","- C42 H47 Cu6 I6 N17 O8 -","- C168 H188 Cu24 I24 N68 O32 -","4","1","","Hong, Xu-Jia; Liu, Xiang; Zhang, Jing-Bo; Lin, Chu-Ling; Wu, Xiao; Ou, Yan-Jun; Yang, Jian; Jin, Hong-Guang; Cai, Yue-Peng","Two low-dimensional Schiff base copper(i/ii) complexes: synthesis, characterization and catalytic activity for degradation of organic dyes","CrystEngComm","2014","16","34","7926","","10.1039/C4CE01207K","","","0.71073","MoKα","","0.1358","0.0589","","","0.1398","0.1799","","","","","","1.002","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7216704","11.541","0.003","13.901","0.003","20.769","0.004","91.178","0.003","90.148","0.003","107.497","0.003","3177","1.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H106 Cu10 I10 N36 O17 -","- C88 H104 Cu10 I10 N36 O17 -","- C88 H104 Cu10 I10 N36 O17 -","1","0.5","","Hong, Xu-Jia; Liu, Xiang; Zhang, Jing-Bo; Lin, Chu-Ling; Wu, Xiao; Ou, Yan-Jun; Yang, Jian; Jin, Hong-Guang; Cai, Yue-Peng","Two low-dimensional Schiff base copper(i/ii) complexes: synthesis, characterization and catalytic activity for degradation of organic dyes","CrystEngComm","2014","16","34","7926","","10.1039/C4CE01207K","","","0.71073","MoKα","","0.108","0.0655","","","0.2214","0.2463","","","","","","0.989","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216705","14.999","0.003","4.603","0.0009","16.068","0.003","90","","108.53","0.03","90","","1051.8","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Urea : 4,4'bipyridine Form I","","","- C11 H12 N4 O -","- C11 H12 N4 O -","- C44 H48 N16 O4 -","4","0.5","","Tothadi, Srinu","Polymorphism in cocrystals of urea:4,4′-bipyridine and salicylic acid:4,4′-bipyridine","CrystEngComm","2014","16","32","7587","","10.1039/C4CE00866A","","","0.71073","MoKα","","0.0481","0.0408","","","0.1373","0.1566","","","","","","1.254","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216706","25.07","0.004","9.1849","0.0015","4.5943","0.0008","90","","90","","90","","1057.9","0.3","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Urea : 4,4'bipyridine Form II","","","- C11 H12 N4 O -","- C11 H12 N4 O -","- C44 H48 N16 O4 -","4","0.5","","Tothadi, Srinu","Polymorphism in cocrystals of urea:4,4′-bipyridine and salicylic acid:4,4′-bipyridine","CrystEngComm","2014","16","32","7587","","10.1039/C4CE00866A","","","0.71073","MoKα","","0.064","0.0513","","","0.131","0.1371","","","","","","1.141","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216707","7.86","0.008","8.308","0.008","8.547","0.008","87.812","0.014","82.149","0.003","65.9","0.014","504.6","0.9","150","2","150","2","","","","","","","","4","P -1","-P 1","2","salicylic acid:4,4'-bipyridine Form I","","","- C24 H20 N2 O6 -","- C24 H20 N2 O6 -","- C24 H20 N2 O6 -","1","0.5","","Tothadi, Srinu","Polymorphism in cocrystals of urea:4,4′-bipyridine and salicylic acid:4,4′-bipyridine","CrystEngComm","2014","16","32","7587","","10.1039/C4CE00866A","","","0.71073","MoKα","","0.0483","0.0442","","","0.1194","0.1228","","","","","","1.077","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216708","9.92","0.009","4.919","0.004","23.046","0.018","90","","114.28","0.03","90","","1025.1","1.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","salicylic acid:4,4'-bipyridine Form II","","","- C24 H20 N2 O6 -","- C24 H20 N2 O6 -","- C48 H40 N4 O12 -","2","0.5","","Tothadi, Srinu","Polymorphism in cocrystals of urea:4,4′-bipyridine and salicylic acid:4,4′-bipyridine","CrystEngComm","2014","16","32","7587","","10.1039/C4CE00866A","","","0.71073","MoKα","","0.0696","0.0582","","","0.1461","0.166","","","","","","1.06","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216709","7.1","0.005","23.968","0.005","10.935","0.005","90","","103.945","0.005","90","","1806","1.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19 N5 Ni O4 -","- C42 H114 N30 Ni6 O24 -","6","3","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro–nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0406","0.0328","","","0.0731","0.0753","","","","","","1.009","","","","has coordinates,has disorder","301864","2025-08-22","15:14:35",""
"7216710","7.119","0.005","23.688","0.005","10.909","0.005","90","","103.36","0.005","90","","1789.9","1.5","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19.3333 N5 Ni O4 -","- C42 H116 N30 Ni6 O24 -","6","1.5","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.032","0.0251","","","0.0575","0.0607","","","","","","1.017","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216711","7.146","0.005","23.684","0.005","10.944","0.005","90","","103.455","0.005","90","","1801.4","1.6","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19.3333 N5 Ni O4 -","- C42 H116 N30 Ni6 O24 -","6","1.5","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0334","0.0252","","","0.0585","0.0624","","","","","","1.025","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216712","7.17","0.005","23.69","0.005","10.982","0.005","90","","103.569","0.005","90","","1813.3","1.6","200","2","200","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19.3333 N5 Ni O4 -","- C42 H116 N30 Ni6 O24 -","6","1.5","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0345","0.0249","","","0.0569","0.0614","","","","","","1.039","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216713","7.202","0.005","23.718","0.005","11.025","0.005","90","","103.746","0.005","90","","1829.3","1.6","250","2","250","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19.3333 N5 Ni O4 -","- C42 H116 N30 Ni6 O24 -","6","1.5","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0409","0.0278","","","0.0609","0.0666","","","","","","1.023","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216714","7.235","0.005","23.768","0.005","11.072","0.005","90","","103.92","0.005","90","","1848","1.6","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19.3333 N5 Ni O4 -","- C42 H116 N30 Ni6 O24 -","6","1.5","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0478","0.0305","","","0.065","0.0724","","","","","","1.022","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216715","7.104","0.005","23.968","0.005","10.941","0.005","90","","103.958","0.005","90","","1807.9","1.6","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19 N5 Ni O4 -","- C42 H114 N30 Ni6 O24 -","6","3","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro–nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0403","0.0318","","","0.071","0.0732","","","","","","0.998","","","","has coordinates,has disorder","301864","2025-08-22","15:14:35",""
"7216716","7.103","0.005","23.963","0.005","10.942","0.005","90","","103.964","0.005","90","","1807.4","1.6","115","2","115","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19 N5 Ni O4 -","- C42 H114 N30 Ni6 O24 -","6","3","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro–nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.042","0.0327","","","0.0719","0.0742","","","","","","0.987","","","","has coordinates,has disorder","301864","2025-08-22","15:14:35",""
"7216717","7.101","0.005","23.928","0.005","10.936","0.005","90","","103.958","0.005","90","","1803.3","1.6","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19 N5 Ni O4 -","- C42 H114 N30 Ni6 O24 -","6","3","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro–nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0522","0.0404","","","0.0988","0.1034","","","","","","0.983","","","","has coordinates,has disorder","301864","2025-08-22","15:14:35",""
"7216718","7.096","0.005","23.843","0.005","10.917","0.005","90","","103.788","0.005","90","","1793.8","1.6","125","2","125","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19 N5 Ni O4 -","- C42 H114 N30 Ni6 O24 -","6","1.5","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0481","0.0359","","","0.0871","0.0911","","","","","","1.023","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216719","7.102","0.005","23.707","0.005","10.91","0.005","90","","103.541","0.005","90","","1785.8","1.5","130","2","130","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19 N5 Ni O4 -","- C42 H114 N30 Ni6 O24 -","6","1.5","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0462","0.0352","","","0.0896","0.0931","","","","","","1.007","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216720","7.108","0.005","23.656","0.005","10.909","0.005","90","","103.439","0.005","90","","1784.1","1.5","135","2","135","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19 N5 Ni O4 -","- C42 H114 N30 Ni6 O24 -","6","1.5","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0414","0.0304","","","0.0757","0.079","","","","","","1.02","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216721","11.3768","0.0009","21.2361","0.0015","12.4255","0.0009","90","","100.766","0.004","90","","2949.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H34.8 N4 O9.4 P3 -","- C23 H34 N4 O9.395 P3 -","- C92 H136 N16 O37.58 P12 -","4","1","","Singh, Udai P.; Narang, Shikha","A supramolecular approach towards the construction of molecular salts using phosphonic acid and pyrazole","CrystEngComm","2014","16","33","7777","","10.1039/C4CE00484A","","","0.71073","MoKα","","0.1468","0.0581","","","0.1338","0.1821","","","","","","0.916","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216722","11.4912","0.0009","9.4729","0.0007","22.7526","0.0018","90","","118.245","0.004","90","","2181.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H30 N4 O8 P2 -","- C13 H24 N4 O7 P2 -","- C52 H96 N16 O28 P8 -","4","1","","Singh, Udai P.; Narang, Shikha","A supramolecular approach towards the construction of molecular salts using phosphonic acid and pyrazole","CrystEngComm","2014","16","33","7777","","10.1039/C4CE00484A","","","0.71073","MoKα","","0.1032","0.0759","","","0.2319","0.2439","","","","","","1.056","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216723","15.269","0.003","8.82","0.002","21.635","0.005","90","","90","","90","","2913.6","1.1","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C25 H41 N8 O6 P -","- C25 H41 N8 O6 P -","- C100 H164 N32 O24 P4 -","4","1","","Singh, Udai P.; Narang, Shikha","A supramolecular approach towards the construction of molecular salts using phosphonic acid and pyrazole","CrystEngComm","2014","16","33","7777","","10.1039/C4CE00484A","","","0.71073","MoKα","","0.0858","0.0541","","","0.1342","0.1532","","","","","","0.933","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216724","26.1677","0.001","16.0917","0.0008","8.6296","0.0004","90","","90","","90","","3633.8","0.3","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C34 H46 N8 O6 P2 -","- C34 H46 N8 O6 P2 -","- C136 H184 N32 O24 P8 -","4","1","","Singh, Udai P.; Narang, Shikha","A supramolecular approach towards the construction of molecular salts using phosphonic acid and pyrazole","CrystEngComm","2014","16","33","7777","","10.1039/C4CE00484A","","","0.71073","MoKα","","0.1077","0.0494","","","0.1125","0.1441","","","","","","1","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216725","10.364","0.003","16.227","0.004","11.093","0.003","90","","102.843","0.012","90","","1818.9","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 N4 O5 P -","- C14 H23 N4 O5 P -","- C56 H92 N16 O20 P4 -","4","1","","Singh, Udai P.; Narang, Shikha","A supramolecular approach towards the construction of molecular salts using phosphonic acid and pyrazole","CrystEngComm","2014","16","33","7777","","10.1039/C4CE00484A","","","0.71073","MoKα","","0.1719","0.0368","","","0.1236","0.1534","","","","","","1.082","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216726","11.6984","0.0005","19.793","0.0008","25.4741","0.0011","90","","92.012","0.002","90","","5894.8","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H44 N4 O7 P2 -","- C20.9975 H44 N4 O7 P2 -","- C167.98 H352 N32 O56 P16 -","8","4","","Singh, Udai P.; Narang, Shikha","A supramolecular approach towards the construction of molecular salts using phosphonic acid and pyrazole","CrystEngComm","2014","16","33","7777","","10.1039/C4CE00484A","","","0.71073","MoKα","","0.0888","0.0485","","","0.1033","0.1211","","","","","","0.995","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216727","24.4212","0.0006","8.3161","0.0002","13.2973","0.0004","90","","92.341","0.002","90","","2698.28","0.12","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 N2 O4 S -","- C13 H10 N2 O4 S -","- C104 H80 N16 O32 S8 -","8","1","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; El-Mosslamy, El-Sayed H.; Mak, Thomas C. W.","Efficient solvent-controlled crystallization of pure polymorphs of 1-nitro-4-(4-nitrophenylmethylthio)benzene","CrystEngComm","2014","16","38","8960","","10.1039/C4CE00753K","","","0.71073","MoKα","","0.1009","0.0461","","","0.1219","0.1494","","","","","","1","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216728","6.1653","0.0007","17.4934","0.0018","12.4757","0.0013","90","","104.928","0.007","90","","1300.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O4 S -","- C13 H10 N2 O4 S -","- C52 H40 N8 O16 S4 -","4","1","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; El-Mosslamy, El-Sayed H.; Mak, Thomas C. W.","Efficient solvent-controlled crystallization of pure polymorphs of 1-nitro-4-(4-nitrophenylmethylthio)benzene","CrystEngComm","2014","16","38","8960","","10.1039/C4CE00753K","","","0.71073","MoKα","","0.1101","0.0838","","","0.2643","0.2906","","","","","","1.185","","","","has coordinates,has disorder","301864","2025-08-22","15:14:35",""
"7216729","4.0558","0.0003","20.4472","0.0016","16.1833","0.0012","90","","102.878","0.005","90","","1308.32","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O4 S -","- C13 H10 N2 O4 S -","- C52 H40 N8 O16 S4 -","4","1","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; El-Mosslamy, El-Sayed H.; Mak, Thomas C. W.","Efficient solvent-controlled crystallization of pure polymorphs of 1-nitro-4-(4-nitrophenylmethylthio)benzene","CrystEngComm","2014","16","38","8960","","10.1039/C4CE00753K","","","0.71073","MoKα","","0.071","0.0489","","","0.1227","0.1365","","","","","","1.078","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216730","13.103","0.0007","13.866","0.0008","15.6862","0.001","81.809","0.004","71.861","0.003","79.628","0.003","2652.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 N2 O4 S -","- C13 H10 N2 O4 S -","- C104 H80 N16 O32 S8 -","8","4","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; El-Mosslamy, El-Sayed H.; Mak, Thomas C. W.","Efficient solvent-controlled crystallization of pure polymorphs of 1-nitro-4-(4-nitrophenylmethylthio)benzene","CrystEngComm","2014","16","38","8960","","10.1039/C4CE00753K","","","0.71073","MoKα","","0.234","0.0877","","","0.2065","0.2894","","","","","","0.987","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216731","3.9606","0.0003","12.1751","0.0008","31.027","0.002","90","","93.629","0.003","90","","1493.14","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N2 O5 S -","- C13 H10 N2 O5 S -","- C52 H40 N8 O20 S4 -","4","1","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; El-Mosslamy, El-Sayed H.; Mak, Thomas C. W.","Efficient solvent-controlled crystallization of pure polymorphs of 1-nitro-4-(4-nitrophenylmethylthio)benzene","CrystEngComm","2014","16","38","8960","","10.1039/C4CE00753K","","","0.71073","MoKα","","0.0702","0.0576","","","0.1757","0.1888","","","","","","1.064","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216732","13.041","0.005","14.26","0.005","20.45","0.005","77.812","0.005","78.2","0.005","66.431","0.005","3376.4","1.9","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H64 N12 Na Nb14 O60 V -","- C10 H50 N12 Na Nb14 O60 V -","- C20 H100 N24 Na2 Nb28 O120 V2 -","2","1","","Huang, Peng; Zhou, En-Long; Wang, Xin-Long; Sun, Chun-Yi; Wang, Hai-Ning; Xing, Yan; Shao, Kui-Zhan; Su, Zhong-Min","New heteropolyniobates based on a bicapped Keggin-type {VNb14} cluster with selective adsorption and photocatalytic properties","CrystEngComm","2014","16","41","9582","","10.1039/C4CE00960F","","","0.71073","MoKα","","0.0657","0.0455","","","0.1298","0.1405","","","","","","1.054","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216733","32.849","0.005","32.849","0.005","13.718","0.005","90","","90","","90","","14803","6","293","2","293","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- H62 K7 N2 Na4 Nb14 O79 V -","- K7 N2 Na4 Nb14 O72 V -","- K56 N16 Na32 Nb112 O576 V8 -","8","1","","Huang, Peng; Zhou, En-Long; Wang, Xin-Long; Sun, Chun-Yi; Wang, Hai-Ning; Xing, Yan; Shao, Kui-Zhan; Su, Zhong-Min","New heteropolyniobates based on a bicapped Keggin-type {VNb14} cluster with selective adsorption and photocatalytic properties","CrystEngComm","2014","16","41","9582","","10.1039/C4CE00960F","","","0.71069","MoKα","","0.0733","0.059","","","0.1524","0.1665","","","","","","1.055","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216734","9.835","0.007","10.222","0.007","16.06","0.01","83.79","0.01","76.41","0.01","87.92","0.01","1560.1","1.8","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C28 H22 -","- C28 H22 -","- C84 H66 -","3","1.5","","Bacchi, A.; Brillante, A.; Crocco, D.; Chierotti, M. R.; Della Valle, R. G.; Girlando, A.; Masino, M.; Pelagatti, P.; Venuti, E.","Exploration of the polymorph landscape for 1,1,4,4-tetraphenyl-1,3-butadiene","CrystEngComm","2014","16","35","8205","","10.1039/C4CE01046A","","","0.71073","MoKα","","0.0782","0.0582","","","0.1615","0.1822","","","","","","1.039","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216735","8.846","0.003","8.839","0.003","10.016","0.003","74.927","0.006","64.092","0.005","68.128","0.006","649.3","0.4","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C34 H34 -","- C34 H34 -","- C34 H34 -","1","0.5","","Bacchi, A.; Brillante, A.; Crocco, D.; Chierotti, M. R.; Della Valle, R. G.; Girlando, A.; Masino, M.; Pelagatti, P.; Venuti, E.","Exploration of the polymorph landscape for 1,1,4,4-tetraphenyl-1,3-butadiene","CrystEngComm","2014","16","35","8205","","10.1039/C4CE01046A","","","0.71073","MoKα","","0.1203","0.0677","","","0.195","0.2321","","","","","","0.976","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216755","13.478","0.004","11.259","0.004","15.046","0.003","90","","93.77","0.03","90","","2278.3","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 Cl4 Cu2 N4 O2 -","- C18 H26 Cl4 Cu2 N4 O2 -","- C72 H104 Cl16 Cu8 N16 O8 -","4","0.5","","Shi, Wen-Bo; Cui, Ai-Li; Kou, Hui-Zhong","Assembly of dinuclear copper(ii) secondary building units into polymeric complexes: crystal structures and magnetic properties","CrystEngComm","2014","16","34","8027","","10.1039/C4CE01082E","","","0.71073","MoKα","","0.0586","0.0544","","","0.1409","0.1464","","","","","","1.039","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216756","9.2753","0.0006","22.6255","0.0017","13.334","0.0008","90","","110.287","0.002","90","","2624.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H30 Cl Cu2 N7 O7 -","- C21 H30 Cl Cu2 N7 O7 -","- C84 H120 Cl4 Cu8 N28 O28 -","4","1","","Shi, Wen-Bo; Cui, Ai-Li; Kou, Hui-Zhong","Assembly of dinuclear copper(ii) secondary building units into polymeric complexes: crystal structures and magnetic properties","CrystEngComm","2014","16","34","8027","","10.1039/C4CE01082E","","","0.71073","MoKα","","0.1638","0.0691","","","0.1434","0.2025","","","","","","1.024","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216757","4.4013","0.0009","8.2656","0.0017","12.976","0.003","82.02","0.03","87","0.03","79.24","0.03","459.1","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H22 Cl2 Cu2 N4 O2 -","- C14 H22 Cl2 Cu2 N4 O2 -","- C14 H22 Cl2 Cu2 N4 O2 -","1","0.5","","Shi, Wen-Bo; Cui, Ai-Li; Kou, Hui-Zhong","Assembly of dinuclear copper(ii) secondary building units into polymeric complexes: crystal structures and magnetic properties","CrystEngComm","2014","16","34","8027","","10.1039/C4CE01082E","","","0.71073","MoKα","","0.0447","0.0382","","","0.098","0.1037","","","","","","1.086","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216758","13.095","0.005","13.001","0.005","13.439","0.005","90","","106.17","0.01","90","","2197.5","1.4","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cu2 N10 O2 -","- C18 H22 Cu2 N10 O2 -","- C72 H88 Cu8 N40 O8 -","4","1","","Shi, Wen-Bo; Cui, Ai-Li; Kou, Hui-Zhong","Assembly of dinuclear copper(ii) secondary building units into polymeric complexes: crystal structures and magnetic properties","CrystEngComm","2014","16","34","8027","","10.1039/C4CE01082E","","","0.710747","MoKα","","0.0996","0.0668","","","0.1691","0.1844","","","","","","1.008","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216759","11.7941","0.0017","10.9501","0.0016","22.359","0.003","90","","90","","90","","2887.6","0.7","298","","298","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Cr4 Gd4 Mo24 O139.92 -","- Cr4 Gd4 Mo24 O139.92 -","- Cr4 Gd4 Mo24 O139.92 -","1","0.25","","Kumar, Dinesh; Ahmad, Shahab; Prakash, G. Vijaya; Ramanujachary, Kandalam V.; Ramanan, Arunachalam","Photoluminescent chromium molybdate cluster coordinated with rare earth cations: synthesis, structure, optical and magnetic properties","CrystEngComm","2014","16","30","7097","","10.1039/C4CE00865K","","","0.71073","MoKα","","0.0286","0.0284","","","0.0647","0.0648","","","","","","1.19","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216760","23.459","0.007","13.337","0.004","24.725","0.008","90","","102.957","0.005","90","","7539","4","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cr Gd Mo6 N2 O36 -","- C12 H10 Cr Gd Mo6 N2 O36 -","- C96 H80 Cr8 Gd8 Mo48 N16 O288 -","8","1","","Kumar, Dinesh; Ahmad, Shahab; Prakash, G. Vijaya; Ramanujachary, Kandalam V.; Ramanan, Arunachalam","Photoluminescent chromium molybdate cluster coordinated with rare earth cations: synthesis, structure, optical and magnetic properties","CrystEngComm","2014","16","30","7097","","10.1039/C4CE00865K","","","0.71073","MoKα","","0.0678","0.0635","","","0.1183","0.1202","","","","","","1.322","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216761","18.389","0.002","12.5427","0.0014","17.963","0.002","90","","104.117","0.002","90","","4018","0.8","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cr Mo6 N2 O38 Tb -","- C12 H10 Cr Mo6 N2 O38 Tb -","- C48 H40 Cr4 Mo24 N8 O152 Tb4 -","4","0.5","","Kumar, Dinesh; Ahmad, Shahab; Prakash, G. Vijaya; Ramanujachary, Kandalam V.; Ramanan, Arunachalam","Photoluminescent chromium molybdate cluster coordinated with rare earth cations: synthesis, structure, optical and magnetic properties","CrystEngComm","2014","16","30","7097","","10.1039/C4CE00865K","","","0.71073","MoKα","","0.0329","0.0313","","","0.0878","0.0972","","","","","","1.297","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216762","18.4316","0.0014","12.5601","0.001","17.9491","0.0014","90","","104.3","0.001","90","","4026.5","0.5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cr Mo6 N2 O38 Sm -","- C12 H10 Cr Mo6 N2 O38 Sm -","- C48 H40 Cr4 Mo24 N8 O152 Sm4 -","4","0.5","","Kumar, Dinesh; Ahmad, Shahab; Prakash, G. Vijaya; Ramanujachary, Kandalam V.; Ramanan, Arunachalam","Photoluminescent chromium molybdate cluster coordinated with rare earth cations: synthesis, structure, optical and magnetic properties","CrystEngComm","2014","16","30","7097","","10.1039/C4CE00865K","","","0.71073","MoKα","","0.0376","0.0323","","","0.0785","0.081","","","","","","1.04","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216763","6.1664","0.0003","23.5787","0.0009","20.6871","0.0007","90","","99.961","0.001","90","","2962.5","0.2","223","","223","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 N2 O3 -","- C33 H36 N2 O3 -","- C132 H144 N8 O12 -","4","1","","Cole, Jacqueline M.; Low, Kian Sing; Ozoe, Hiroaki; Stathi, Panagiota; Kitamura, Chitoshi; Kurata, Hiroyuki; Rudolf, Petra; Kawase, Takeshi","Data mining with molecular design rules identifies new class of dyes for dye-sensitised solar cells.","Physical chemistry chemical physics : PCCP","2014","16","48","26684","26690","10.1039/c4cp02645d","","x-ray","0.71073","MoKα","","0.1492","0.0823","","","0.2219","0.3128","","","","","","1.136","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216769","9.961","0.005","17.323","0.004","10.814","0.005","90","","94.871","0.005","90","","1859.3","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","coordination Polymer","","","- C18 H16 N4 O6 S Zn -","- C18 H12 N4 O6 S Zn -","- C72 H48 N16 O24 S4 Zn4 -","4","1","","Singh, Namita; Anantharaman, Ganapathi","Structural diversity and luminescence properties of coordination polymers based on mixed ligands, 2,5-bis(imidazol-1-yl)thiophene (thim2) and aromatic multicarboxylates","CrystEngComm","2014","16","34","7914","","10.1039/C4CE00927D","","","0.71073","MoKα","","0.074","0.0527","","","0.1315","0.1822","","","","","","1.118","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216770","10.1448","0.0012","11.9933","0.0014","13.9849","0.0016","90","","90","","90","","1701.5","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Coordination polymer","","","- C18 H12 Co N4 O4 S -","- C18 H12 Co N4 O4 S -","- C72 H48 Co4 N16 O16 S4 -","4","1","","Singh, Namita; Anantharaman, Ganapathi","Structural diversity and luminescence properties of coordination polymers based on mixed ligands, 2,5-bis(imidazol-1-yl)thiophene (thim2) and aromatic multicarboxylates","CrystEngComm","2014","16","34","7914","","10.1039/C4CE00927D","","","0.71073","MoKα","","0.0439","0.0372","","","0.084","0.0908","","","","","","1.097","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216771","7.2476","0.0006","17.4087","0.0015","15.9969","0.0014","90","","90.364","0.002","90","","2018.3","0.3","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","coordination polymer","","","- C19 H14 Co N4 O7 S -","- C19 H12 Co N4 O7 S -","- C76 H48 Co4 N16 O28 S4 -","4","1","","Singh, Namita; Anantharaman, Ganapathi","Structural diversity and luminescence properties of coordination polymers based on mixed ligands, 2,5-bis(imidazol-1-yl)thiophene (thim2) and aromatic multicarboxylates","CrystEngComm","2014","16","34","7914","","10.1039/C4CE00927D","","","0.71073","MoKα","","0.1036","0.068","","","0.1669","0.1904","","","","","","1.032","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216772","7.2709","0.0015","17.234","0.003","16.173","0.003","90","","90.215","0.004","90","","2026.6","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","coordination Polymer","","","- C19 H14 N4 O7 S Zn -","- C19 H12 N4 O7 S Zn -","- C76 H48 N16 O28 S4 Zn4 -","4","1","","Singh, Namita; Anantharaman, Ganapathi","Structural diversity and luminescence properties of coordination polymers based on mixed ligands, 2,5-bis(imidazol-1-yl)thiophene (thim2) and aromatic multicarboxylates","CrystEngComm","2014","16","34","7914","","10.1039/C4CE00927D","","","0.71073","MoKα","","0.1077","0.0738","","","0.1935","0.2412","","","","","","1.084","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216773","28.205","0.006","12.181","0.002","15.442","0.003","90","","108.09","0.03","90","","5043.1","1.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Coordination polymer","","","- C24 H20 Co N4 O7 S -","- C24 H16 Co N4 O5 S -","- C192 H128 Co8 N32 O40 S8 -","8","1","","Singh, Namita; Anantharaman, Ganapathi","Structural diversity and luminescence properties of coordination polymers based on mixed ligands, 2,5-bis(imidazol-1-yl)thiophene (thim2) and aromatic multicarboxylates","CrystEngComm","2014","16","34","7914","","10.1039/C4CE00927D","","","0.71073","MoKα","","0.0549","0.0431","","","0.1155","0.1334","","","","","","1.091","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216774","28.266","0.006","12.094","0.002","15.364","0.003","90","","107.51","0.03","90","","5008.8","1.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Coordination polymer","","","- C24 H20 N4 O7 S Zn -","- C24 H16 N4 O5 S Zn -","- C192 H128 N32 O40 S8 Zn8 -","8","1","","Singh, Namita; Anantharaman, Ganapathi","Structural diversity and luminescence properties of coordination polymers based on mixed ligands, 2,5-bis(imidazol-1-yl)thiophene (thim2) and aromatic multicarboxylates","CrystEngComm","2014","16","34","7914","","10.1039/C4CE00927D","","","0.71073","MoKα","","0.0874","0.0529","","","0.1108","0.1207","","","","","","0.98","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216775","9.611","0.004","10.082","0.005","18.355","0.005","80.514","0.005","85.412","0.003","82.853","0.005","1737.4","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Coordination polymer","","","- C36 H26 Mn2 N8 O9 S2 -","- C36 H26 Mn2 N8 O9 S2 -","- C72 H52 Mn4 N16 O18 S4 -","2","1","","Singh, Namita; Anantharaman, Ganapathi","Structural diversity and luminescence properties of coordination polymers based on mixed ligands, 2,5-bis(imidazol-1-yl)thiophene (thim2) and aromatic multicarboxylates","CrystEngComm","2014","16","34","7914","","10.1039/C4CE00927D","","","0.71069","MoKα","","0.0751","0.0529","","","0.1219","0.1419","","","","","","1.072","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216776","37.8858","0.0015","13.3212","0.0006","15.7766","0.0006","90","","101.541","0.002","90","","7801.2","0.6","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H35 Cl3 N5 O5 S -","- C41 H35 Cl3 N5 O5 S -","- C328 H280 Cl24 N40 O40 S8 -","8","2","","Chadha, Renu; Bhandari, Swati; Haneef, Jamshed; Khullar, Sadhika; Mandal, Sanjay","Cocrystals of telmisartan: characterization, structure elucidation, in vivo and toxicity studies","CrystEngComm","2014","16","36","8375","","10.1039/C4CE00797B","","","0.71073","MoKα","","0.178","0.063","","","0.1372","0.1738","","","","","","0.846","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216777","8.7267","0.0018","21.838","0.006","8.408","0.003","90","","118.243","0.008","90","","1411.6","0.7","293.15","","293.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Isopropanol","","- C3 H8 O -","- C3 H8 O -","- C48 H128 O16 -","16","4","","Ridout, Joe; Probert, Michael R.","Low-temperature and high-pressure polymorphs of isopropyl alcohol","CrystEngComm","2014","16","32","7397","","10.1039/C4CE01012D","","x-ray","0.56087","AgKα","K-L~3~","0.1056","0.0585","","","0.1183","0.1429","","","","","","1.109","","","","has coordinates,has disorder","301864","2025-08-22","15:14:35",""
"7216778","6.542","0.003","13.415","0.014","14.469","0.011","90","","99.79","0.02","90","","1251.3","1.7","180","","180","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Isopropanol","","- C3 H8 O -","- C3 H8 O -","- C36 H96 O12 -","12","3","","Ridout, Joe; Probert, Michael R.","Low-temperature and high-pressure polymorphs of isopropyl alcohol","CrystEngComm","2014","16","32","7397","","10.1039/C4CE01012D","","x-ray","0.71073","MoKα","K-L~3~","0.0718","0.0468","","","0.109","0.1231","","","","","","1.002","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216779","15.5703","0.0004","26.9767","0.0007","25.2494","0.0007","90","","96.332","0.001","90","","10540.9","0.5","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H128 Fe2 N4 O44 Ti17 -","- C72 H128 Fe2 N4 O44 Ti17 -","- C288 H512 Fe8 N16 O176 Ti68 -","4","1","","Jarzembska, Katarzyna N.; Chen, Yang; Nasca, Justin N.; Trzop, Elżbieta; Watson, David F.; Coppens, Philip","Relating structure and photoelectrochemical properties: electron injection by structurally and theoretically characterized transition metal-doped phenanthroline-polyoxotitanate nanoparticles.","Physical chemistry chemical physics : PCCP","2014","16","30","15792","15795","10.1039/c4cp02509a","","","0.71073","MoKα","","0.1357","0.065","","","0.0782","0.0881","","","","2.28","2.28","1.77","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216785","26.4001","0.0012","8.6506","0.0004","16.5796","0.0008","90","","115.898","0.001","90","","3406.1","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 N2 Ni O7 -","- C14 H18 N2 Ni O7 -","- C112 H144 N16 Ni8 O56 -","8","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity of 5-methylnicotinate coordination assemblies regulated by metal-ligating tendency and metal-dependent anion effect","CrystEngComm","2014","16","28","6433","","10.1039/c4ce00187g","","","0.71073","MoKα","","0.0308","0.0255","","","0.0663","0.0694","","","","","","1.036","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216786","17.3192","0.0014","14.3739","0.0012","23.819","0.002","90","","90","","90","","5929.6","0.9","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H26 N4 Ni2 O9 -","- C28 H26 N4 Ni2 O9 -","- C224 H208 N32 Ni16 O72 -","8","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity of 5-methylnicotinate coordination assemblies regulated by metal-ligating tendency and metal-dependent anion effect","CrystEngComm","2014","16","28","6433","","10.1039/c4ce00187g","","","0.71073","MoKα","","0.068","0.0344","","","0.0677","0.0799","","","","","","1.025","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216787","13.7216","0.0012","7.2942","0.0006","16.2528","0.0014","90","","92.989","0.001","90","","1624.5","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Cl2 N2 Ni O4 -","- C14 H14 Cl2 N2 Ni O4 -","- C56 H56 Cl8 N8 Ni4 O16 -","4","0.5","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity of 5-methylnicotinate coordination assemblies regulated by metal-ligating tendency and metal-dependent anion effect","CrystEngComm","2014","16","28","6433","","10.1039/c4ce00187g","","","0.71073","MoKα","","0.0376","0.0351","","","0.0974","0.0996","","","","","","1.061","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216788","11.761","0.004","16.623","0.005","13.751","0.003","90","","123.915","0.019","90","","2231","1.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 Cd2 N2 O14 S -","- C14 H24 Cd2 N2 O14 S -","- C56 H96 Cd8 N8 O56 S4 -","4","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity of 5-methylnicotinate coordination assemblies regulated by metal-ligating tendency and metal-dependent anion effect","CrystEngComm","2014","16","28","6433","","10.1039/c4ce00187g","","","0.71073","MoKα","","0.0903","0.0781","","","0.2097","0.2295","","","","","","1.037","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216789","7.5497","0.0009","8.1071","0.001","12.7747","0.0016","108.251","0.002","92.214","0.002","100.358","0.002","726.67","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Cd N2 O5 -","- C14 H14 Cd N2 O5 -","- C28 H28 Cd2 N4 O10 -","2","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity of 5-methylnicotinate coordination assemblies regulated by metal-ligating tendency and metal-dependent anion effect","CrystEngComm","2014","16","28","6433","","10.1039/c4ce00187g","","","0.71073","MoKα","","0.0277","0.0235","","","0.0541","0.0563","","","","","","1.047","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216790","26.521","0.002","8.8621","0.0007","16.7474","0.0013","90","","117.78","0.001","90","","3482.5","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Cu N2 O7 -","- C14 H18 Cu N2 O7 -","- C112 H144 Cu8 N16 O56 -","8","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity of 5-methylnicotinate coordination assemblies regulated by metal-ligating tendency and metal-dependent anion effect","CrystEngComm","2014","16","28","6433","","10.1039/c4ce00187g","","","0.71073","MoKα","","0.0443","0.0346","","","0.0894","0.0955","","","","","","1.042","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216791","26.42","0.002","8.6861","0.0007","16.7178","0.0013","90","","115.668","0.001","90","","3457.9","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Co N2 O7 -","- C14 H18 Co N2 O7 -","- C112 H144 Co8 N16 O56 -","8","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity of 5-methylnicotinate coordination assemblies regulated by metal-ligating tendency and metal-dependent anion effect","CrystEngComm","2014","16","28","6433","","10.1039/c4ce00187g","","","0.71073","MoKα","","0.0289","0.0247","","","0.0657","0.0687","","","","","","1.061","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216792","10.0704","0.0005","10.189","0.0005","7.1745","0.0004","90","","101.797","0.001","90","","720.61","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Mn N2 O6 -","- C14 H16 Mn N2 O6 -","- C28 H32 Mn2 N4 O12 -","2","0.5","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity of 5-methylnicotinate coordination assemblies regulated by metal-ligating tendency and metal-dependent anion effect","CrystEngComm","2014","16","28","6433","","10.1039/c4ce00187g","","","0.71073","MoKα","","0.024","0.023","","","0.0632","0.0639","","","","","","1.099","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216793","12.912","0.002","9.1366","0.0016","14.7843","0.0017","90","","122.411","0.009","90","","1472.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O4 Pb -","- C14 H12 N2 O4 Pb -","- C56 H48 N8 O16 Pb4 -","4","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity of 5-methylnicotinate coordination assemblies regulated by metal-ligating tendency and metal-dependent anion effect","CrystEngComm","2014","16","28","6433","","10.1039/c4ce00187g","","","0.71073","MoKα","","0.0378","0.03","","","0.0743","0.0794","","","","","","1.017","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216794","28.732","0.0001","13.5996","0.0001","17.575","0.0001","90","","90","","90","","6867.32","0.07","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C33 H24 Cl Mn0.5 N4 -","- C33 H24 Cl Mn0.5 N4 -","- C264 H192 Cl8 Mn4 N32 -","8","1","","Hua, Carol; D'Alessandro, Deanna M.","A Mn(ii) coordination framework incorporating the redox-active tris(4-(pyridin-4-yl)phenyl)amine ligand (NPy3): electrochemical and spectral properties","CrystEngComm","2014","16","28","6331","","10.1039/c3ce42603c","","","1.54178","CuKα","","0.0371","0.0342","","","0.0896","0.0941","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216795","15.9628","0.0009","15.9628","0.0009","14.4867","0.0016","90","","90","","120","","3196.8","0.4","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C4 H12 N8 Ni O8 V2 -","- C4 H12 N8 Ni O8 V2 -","- C36 H108 N72 Ni9 O72 V18 -","9","0.5","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Hou, Li-Li; Luan, Jian; Liu, Guo-Cheng","Substituent position-induced diverse architectures of polyoxovanadate-based hybrid materials constructed from a linear trinuclear transition metal complex and a hexanuclear [V6O18]6−cluster","CrystEngComm","2014","16","33","7745","","10.1039/C4CE00988F","","","0.71073","MoKα","","0.0687","0.0523","","","0.1532","0.1633","","","","","","1.074","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216796","9.7732","0.0006","10.5394","0.0006","11.4624","0.0007","105.693","0.001","91.6","0.001","114.386","0.001","1022.05","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H32 N24 Ni3 O22 V6 -","- C12 H32 N24 Ni3 O22 V6 -","- C12 H32 N24 Ni3 O22 V6 -","1","0.5","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Hou, Li-Li; Luan, Jian; Liu, Guo-Cheng","Substituent position-induced diverse architectures of polyoxovanadate-based hybrid materials constructed from a linear trinuclear transition metal complex and a hexanuclear [V6O18]6−cluster","CrystEngComm","2014","16","33","7745","","10.1039/C4CE00988F","","","0.71073","MoKα","","0.0348","0.0293","","","0.0797","0.0822","","","","","","1.02","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216797","9.8432","0.0007","10.5655","0.0007","11.5289","0.0008","105.811","0.001","91.594","0.001","114.252","0.001","1038.38","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H32 Co3 N24 O22 V6 -","- C12 H32 Co3 N24 O22 V6 -","- C12 H32 Co3 N24 O22 V6 -","1","0.5","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Hou, Li-Li; Luan, Jian; Liu, Guo-Cheng","Substituent position-induced diverse architectures of polyoxovanadate-based hybrid materials constructed from a linear trinuclear transition metal complex and a hexanuclear [V6O18]6−cluster","CrystEngComm","2014","16","33","7745","","10.1039/C4CE00988F","","","0.71073","MoKα","","0.0507","0.0402","","","0.1094","0.1143","","","","","","1.04","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216798","9.844","0.0005","10.5676","0.0005","11.543","0.0006","105.887","0.001","91.797","0.001","114.183","0.001","1039.38","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H32 N24 O22 V6 Zn3 -","- C12 H32 N24 O22 V6 Zn3 -","- C12 H32 N24 O22 V6 Zn3 -","1","0.5","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Hou, Li-Li; Luan, Jian; Liu, Guo-Cheng","Substituent position-induced diverse architectures of polyoxovanadate-based hybrid materials constructed from a linear trinuclear transition metal complex and a hexanuclear [V6O18]6−cluster","CrystEngComm","2014","16","33","7745","","10.1039/C4CE00988F","","","0.71073","MoKα","","0.0285","0.0273","","","0.1072","0.1092","","","","","","1.001","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216799","24.8443","0.0007","12.8836","0.0004","15.0538","0.0005","90","","96.709","0.003","90","","4785.5","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H47 Ce2 N3 O21 -","- C33 H23 Ce2 N O17 -","- C132 H92 Ce8 N4 O68 -","4","0.5","","Li, Xiang-Ying; Lin, Zu-Jin; Yang, Yan-Yan; Cao, Rong","Synthesis, structures and luminescent properties of lanthanide coordination polymers involving biphenyl-3,4′,5-tricarboxylate","CrystEngComm","2014","16","28","6425","","10.1039/c4ce00158c","","","0.71073","MoKα","","0.0456","0.0343","","","0.0962","0.1011","","","","","","1.047","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216800","24.7168","0.0007","13.0121","0.0004","14.9778","0.0005","90","","96.682","0.003","90","","4784.4","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H47 N3 O21 Pr2 -","- C33 H23 N O17 Pr2 -","- C132 H92 N4 O68 Pr8 -","4","0.5","","Li, Xiang-Ying; Lin, Zu-Jin; Yang, Yan-Yan; Cao, Rong","Synthesis, structures and luminescent properties of lanthanide coordination polymers involving biphenyl-3,4′,5-tricarboxylate","CrystEngComm","2014","16","28","6425","","10.1039/c4ce00158c","","","0.71073","MoKα","","0.0484","0.0344","","","0.0958","0.1019","","","","","","1.061","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216801","24.5711","0.0007","13.2963","0.0004","14.7313","0.0005","90","","96.735","0.003","90","","4779.6","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H47 Eu2 N3 O21 -","- C33 H23 Eu2 N O17 -","- C132 H92 Eu8 N4 O68 -","4","0.5","","Li, Xiang-Ying; Lin, Zu-Jin; Yang, Yan-Yan; Cao, Rong","Synthesis, structures and luminescent properties of lanthanide coordination polymers involving biphenyl-3,4′,5-tricarboxylate","CrystEngComm","2014","16","28","6425","","10.1039/c4ce00158c","","","0.71073","MoKα","","0.068","0.0488","","","0.132","0.1476","","","","","","1.074","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216802","20.2686","0.0003","18.9736","0.0002","27.9855","0.0004","90","","107.632","0.001","90","","10256.7","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H48.5 La2 N2.5 O20 -","- C40 H38.5 La2 N2.5 O20.5 -","- C320 H308 La16 N20 O164 -","8","1","","Li, Xiang-Ying; Lin, Zu-Jin; Yang, Yan-Yan; Cao, Rong","Synthesis, structures and luminescent properties of lanthanide coordination polymers involving biphenyl-3,4′,5-tricarboxylate","CrystEngComm","2014","16","28","6425","","10.1039/c4ce00158c","","","0.71073","MoKα","","0.1005","0.0819","","","0.2049","0.2214","","","","","","1.013","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216803","19.8953","0.0003","18.6848","0.0002","27.9037","0.0004","90","","107.266","0.001","90","","9905.5","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H48.5 N2.5 O20 Sm2 -","- C40 H38.5 N2.5 O20.5 Sm2 -","- C320 H308 N20 O164 Sm16 -","8","1","","Li, Xiang-Ying; Lin, Zu-Jin; Yang, Yan-Yan; Cao, Rong","Synthesis, structures and luminescent properties of lanthanide coordination polymers involving biphenyl-3,4′,5-tricarboxylate","CrystEngComm","2014","16","28","6425","","10.1039/c4ce00158c","","","0.71073","MoKα","","0.0527","0.0359","","","0.0825","0.0933","","","","","","1.077","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216804","19.8267","0.0003","18.6253","0.0002","27.8685","0.0004","90","","107.1","0.001","90","","9836.3","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H48.5 Eu2 N2.5 O20 -","- C40 H38.5 Eu2 N2.5 O20.5 -","- C320 H308 Eu16 N20 O164 -","8","1","","Li, Xiang-Ying; Lin, Zu-Jin; Yang, Yan-Yan; Cao, Rong","Synthesis, structures and luminescent properties of lanthanide coordination polymers involving biphenyl-3,4′,5-tricarboxylate","CrystEngComm","2014","16","28","6425","","10.1039/c4ce00158c","","","0.71073","MoKα","","0.0859","0.0636","","","0.1451","0.1611","","","","","","1.041","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216805","19.7427","0.0003","18.433","0.0002","27.8981","0.0004","90","","107.333","0.001","90","","9691.6","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H48.5 N2.5 O20 Tb2 -","- C40 H38.5 N2.5 O21.5 Tb2 -","- C320 H308 N20 O172 Tb16 -","8","1","","Li, Xiang-Ying; Lin, Zu-Jin; Yang, Yan-Yan; Cao, Rong","Synthesis, structures and luminescent properties of lanthanide coordination polymers involving biphenyl-3,4′,5-tricarboxylate","CrystEngComm","2014","16","28","6425","","10.1039/c4ce00158c","","","0.71073","MoKα","","0.0754","0.0609","","","0.1556","0.1681","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216806","24.8112","0.0008","13.7461","0.0004","13.6627","0.0004","90","","99.153","0.003","90","","4600.4","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 O9 S2 Sm -","- C18.542 H17.626 O8 S1.771 Sm -","- C148.336 H141.008 O64 S14.168 Sm8 -","8","1","","Li, Xiang-Ying; Lin, Zu-Jin; Yang, Yan-Yan; Cao, Rong","Synthesis, structures and luminescent properties of lanthanide coordination polymers involving biphenyl-3,4′,5-tricarboxylate","CrystEngComm","2014","16","28","6425","","10.1039/c4ce00158c","","","0.71073","MoKα","","0.0471","0.0399","","","0.1111","0.1162","","","","","","1.086","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216807","24.8718","0.0008","13.7591","0.0004","13.6832","0.0004","90","","98.949","0.003","90","","4625.6","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 Nd O9 S2 -","- C18.56 H17.68 Nd O8 S1.78 -","- C148.48 H141.44 Nd8 O64 S14.24 -","8","1","","Li, Xiang-Ying; Lin, Zu-Jin; Yang, Yan-Yan; Cao, Rong","Synthesis, structures and luminescent properties of lanthanide coordination polymers involving biphenyl-3,4′,5-tricarboxylate","CrystEngComm","2014","16","28","6425","","10.1039/c4ce00158c","","","0.71073","MoKα","","0.0446","0.0379","","","0.1085","0.1136","","","","","","1.093","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216808","36.0605","0.0019","5.2677","0.0002","19.4061","0.001","90","","113.793","0.007","90","","3373","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 Co2 N10 O12 -","- C32 H32 Co2 N10 O12 -","- C128 H128 Co8 N40 O48 -","4","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of metal‒organic frameworks based on a semi-rigid bifunctional ligand 5-[(1H-1,2,4-triazol-1-yl)methoxy] isophthalic acid and flexible N-donor bridging ligands","CrystEngComm","2014","16","28","6380","","10.1039/c3ce42625d","","","0.71073","MoKα","","0.0358","0.0309","","","0.0743","0.0772","","","","","","1.06","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216809","36.364","0.002","5.3141","0.0003","19.5932","0.0011","90","","113.105","0.009","90","","3482.5","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 Mn2 N10 O12 -","- C32 H32 Mn2 N10 O12 -","- C128 H128 Mn8 N40 O48 -","4","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of metal‒organic frameworks based on a semi-rigid bifunctional ligand 5-[(1H-1,2,4-triazol-1-yl)methoxy] isophthalic acid and flexible N-donor bridging ligands","CrystEngComm","2014","16","28","6380","","10.1039/c3ce42625d","","","0.71073","MoKα","","0.0556","0.0382","","","0.0819","0.0896","","","","","","1.023","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216810","8.9623","0.0013","10.1747","0.0011","12.1422","0.001","100.966","0.009","110.157","0.011","103.494","0.011","965.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H38 Mn2 N12 O10 -","- C36 H38 Mn2 N12 O10 -","- C36 H38 Mn2 N12 O10 -","1","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of metal‒organic frameworks based on a semi-rigid bifunctional ligand 5-[(1H-1,2,4-triazol-1-yl)methoxy] isophthalic acid and flexible N-donor bridging ligands","CrystEngComm","2014","16","28","6380","","10.1039/c3ce42625d","","","0.71073","MoKα","","0.0504","0.0372","","","0.0781","0.0857","","","","","","1.062","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216811","9.2436","0.0005","11.0384","0.0005","22.7044","0.0009","91.226","0.004","91.585","0.004","113.366","0.005","2124.51","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H40 N10 Ni2 O16 -","- C32 H34 N10 Ni2 O16 -","- C64 H68 N20 Ni4 O32 -","2","1","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of metal‒organic frameworks based on a semi-rigid bifunctional ligand 5-[(1H-1,2,4-triazol-1-yl)methoxy] isophthalic acid and flexible N-donor bridging ligands","CrystEngComm","2014","16","28","6380","","10.1039/c3ce42625d","","","0.71073","MoKα","","0.0876","0.062","","","0.1687","0.1915","","","","","","1.037","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216812","11.5342","0.0008","20.5261","0.0012","19.3153","0.0013","90","","126.053","0.005","90","","3697.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 Cu2 N10 O13 -","- C32 H30 Cu2 N10 O13 -","- C128 H120 Cu8 N40 O52 -","4","1","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of metal‒organic frameworks based on a semi-rigid bifunctional ligand 5-[(1H-1,2,4-triazol-1-yl)methoxy] isophthalic acid and flexible N-donor bridging ligands","CrystEngComm","2014","16","28","6380","","10.1039/c3ce42625d","","","0.71073","MoKα","","0.1123","0.0589","","","0.1016","0.1244","","","","","","1.03","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216813","13.5928","0.0009","8.7066","0.0005","18.2172","0.001","90","","94.9","0.006","90","","2148.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H46 Cu2 N12 O14 -","- C36 H46 Cu2 N12 O14 -","- C72 H92 Cu4 N24 O28 -","2","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of metal‒organic frameworks based on a semi-rigid bifunctional ligand 5-[(1H-1,2,4-triazol-1-yl)methoxy] isophthalic acid and flexible N-donor bridging ligands","CrystEngComm","2014","16","28","6380","","10.1039/c3ce42625d","","","0.71073","MoKα","","0.0958","0.0553","","","0.1","0.117","","","","","","1.024","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216814","9.7409","0.0014","10.3056","0.0016","11.2358","0.0018","116.914","0.016","96.328","0.013","109.365","0.014","902.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 N10 O14 Zn2 -","- C32 H36 N10 O14 Zn2 -","- C32 H36 N10 O14 Zn2 -","1","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of metal‒organic frameworks based on a semi-rigid bifunctional ligand 5-[(1H-1,2,4-triazol-1-yl)methoxy] isophthalic acid and flexible N-donor bridging ligands","CrystEngComm","2014","16","28","6380","","10.1039/c3ce42625d","","","0.71073","MoKα","","0.0875","0.0526","","","0.0769","0.0917","","","","","","1.048","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216815","18.574","0.001","11.8625","0.0006","16.8934","0.0008","90","","112.071","0.006","90","","3449.4","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 N10 O11 Zn2 -","- C32 H28 N10 O11 Zn2 -","- C128 H112 N40 O44 Zn8 -","4","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of metal‒organic frameworks based on a semi-rigid bifunctional ligand 5-[(1H-1,2,4-triazol-1-yl)methoxy] isophthalic acid and flexible N-donor bridging ligands","CrystEngComm","2014","16","28","6380","","10.1039/c3ce42625d","","","0.71073","MoKα","","0.0789","0.0472","","","0.0909","0.1058","","","","","","1.018","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216816","26.713","0.003","10.186","0.0006","26.764","0.003","90","","114.765","0.012","90","","6612.7","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C71 H50 N9 O15 Zn4 -","- C71 H50 N9 O15 Zn4 -","- C284 H200 N36 O60 Zn16 -","4","1","","Du, Peng; Yang, Yan; Kang, Da-Wei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Four cluster-containing highly connected coordination networks: syntheses, structures, and properties","CrystEngComm","2014","16","28","6372","","10.1039/c4ce00098f","","","0.71069","MoKα","","0.1439","0.0693","","","0.1325","0.1653","","","","","","0.993","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216817","10.491","0.0005","14.442","0.0008","15.738","0.0009","97.903","0.004","107.597","0.005","95.036","0.004","2230.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H72 N6 O34 Zn8 -","- C96 H72 N6 O34 Zn8 -","- C96 H72 N6 O34 Zn8 -","1","0.5","","Du, Peng; Yang, Yan; Kang, Da-Wei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Four cluster-containing highly connected coordination networks: syntheses, structures, and properties","CrystEngComm","2014","16","28","6372","","10.1039/c4ce00098f","","","0.71069","MoKα","","0.0467","0.036","","","0.0809","0.0889","","","","","","1.038","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216818","10.412","0.0003","14.861","0.0006","15.616","0.0006","103.206","0.003","92.815","0.003","97.125","0.003","2326.73","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H74 Cd8 N2 O37 -","- C98 H72 Cd8 N2 O37 -","- C98 H72 Cd8 N2 O37 -","1","0.5","","Du, Peng; Yang, Yan; Kang, Da-Wei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Four cluster-containing highly connected coordination networks: syntheses, structures, and properties","CrystEngComm","2014","16","28","6372","","10.1039/c4ce00098f","","","0.71069","MoKα","","0.0385","0.028","","","0.0596","0.0642","","","","","","1.027","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216819","11.014","0.005","13.17","0.005","14.773","0.0008","88.002","0.004","83.199","0.004","86.478","0.003","2123","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H70 Cd5 N24 O22 -","- C84 H58 Cd5 N24 O22 -","- C84 H58 Cd5 N24 O22 -","1","0.5","","Du, Peng; Yang, Yan; Kang, Da-Wei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Four cluster-containing highly connected coordination networks: syntheses, structures, and properties","CrystEngComm","2014","16","28","6372","","10.1039/c4ce00098f","","","0.71069","MoKα","","0.042","0.0324","","","0.0743","0.0801","","","","","","1.033","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216820","10.9347","0.0006","12.6382","0.0007","12.7232","0.0007","61.42","0.001","66.901","0.001","68.104","0.001","1382.4","0.13","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 F N4 O6 -","- C30 H32 F N4 O6 -","- C60 H64 F2 N8 O12 -","2","1","","Zhang, Tingting; Yang, Yan; Zhao, Xiaojun; Jia, Jiangtao; Su, Hongmin; He, Hongming; Gu, Jingkai; Zhu, Guangshan","Dissolution and pharmacokinetic properties of two paliperidone cocrystals with 4-hydroxybenzoic and 4-aminobenzoic acid","CrystEngComm","2014","16","33","7667","","10.1039/C4CE00784K","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","209037","2020-10-21","18:00:00",""
"7216821","10.9374","0.0007","12.6162","0.0008","12.7201","0.0008","61.396","0.001","66.853","0.001","68.137","0.001","1379.57","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H33 F N5 O5 -","- C30 H33 F N5 O5 -","- C60 H66 F2 N10 O10 -","2","1","","Zhang, Tingting; Yang, Yan; Zhao, Xiaojun; Jia, Jiangtao; Su, Hongmin; He, Hongming; Gu, Jingkai; Zhu, Guangshan","Dissolution and pharmacokinetic properties of two paliperidone cocrystals with 4-hydroxybenzoic and 4-aminobenzoic acid","CrystEngComm","2014","16","33","7667","","10.1039/C4CE00784K","","","0.71073","MoKα","","0.0673","0.0549","","","0.1494","0.1577","","","","","","1.068","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216822","18.006","0.001","15.3229","0.0009","20.969","0.001","90","","90","","90","","5785.4","0.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25.5 H26 I N9 O3.5 Zn -","- C25.5 H12 I N9 O3.5 Zn -","- C204 H96 I8 N72 O28 Zn8 -","8","2","","Kojima, Tatsuhiro; Yamada, Tomofumi; Yakiyama, Yumi; Ishikawa, Eri; Morita, Yasushi; Ebihara, Masahiro; Kawano, Masaki","The diversity of Zn(ii) coordination networks composed of multi-interactive ligand TPHAP−via weak intermolecular interaction","CrystEngComm","2014","16","28","6335","","10.1039/c3ce42382d","","","0.71073","MoKα","","0.1367","0.0931","","","0.2607","0.2969","","","","","","1.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216823","26.47","0.02","15.79","0.01","13.591","0.009","90","","105.64","0.02","90","","5470","7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 Cl0.5 I0.5 N9 O8 Zn -","- C22 H14 Cl0.5 I0.5 N9 O8 Zn -","- C176 H112 Cl4 I4 N72 O64 Zn8 -","8","1","","Kojima, Tatsuhiro; Yamada, Tomofumi; Yakiyama, Yumi; Ishikawa, Eri; Morita, Yasushi; Ebihara, Masahiro; Kawano, Masaki","The diversity of Zn(ii) coordination networks composed of multi-interactive ligand TPHAP−via weak intermolecular interaction","CrystEngComm","2014","16","28","6335","","10.1039/c3ce42382d","","","0.71073","MoKα","","0.0913","0.0598","","","0.1471","0.1635","","","","","","1.031","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216824","15.4187","0.0002","12.4644","0.0002","21.6037","0.0003","90","","90.208","0.001","90","","4151.88","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 I N9 O5 Zn -","- C42 H27 I N9 O5 Zn -","- C168 H108 I4 N36 O20 Zn4 -","4","1","","Kojima, Tatsuhiro; Yamada, Tomofumi; Yakiyama, Yumi; Ishikawa, Eri; Morita, Yasushi; Ebihara, Masahiro; Kawano, Masaki","The diversity of Zn(ii) coordination networks composed of multi-interactive ligand TPHAP−via weak intermolecular interaction","CrystEngComm","2014","16","28","6335","","10.1039/c3ce42382d","","","0.68898","synchrotron","","0.1326","0.1162","","","0.3266","0.3389","","","","","","0.933","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216825","21.5","0.011","21.5","0.011","22.454","0.012","90","","90","","90","","10379","9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54.5 H52 I N9 O7.5 Zn -","- C54.5 H37 I N9 O7.5 Zn -","- C436 H296 I8 N72 O60 Zn8 -","8","2","","Kojima, Tatsuhiro; Yamada, Tomofumi; Yakiyama, Yumi; Ishikawa, Eri; Morita, Yasushi; Ebihara, Masahiro; Kawano, Masaki","The diversity of Zn(ii) coordination networks composed of multi-interactive ligand TPHAP−via weak intermolecular interaction","CrystEngComm","2014","16","28","6335","","10.1039/c3ce42382d","","","0.71073","MoKα","","0.1357","0.089","","","0.2329","0.2519","","","","","","0.983","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216826","44.006","0.001","44.006","0.001","28.267","0.001","90","","90","","120","","47406","2","85","2","85","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C40 H46 I N11 O10 Zn -","- C40 H22 I N11 O10 Zn -","- C1440 H792 I36 N396 O360 Zn36 -","36","1","","Kojima, Tatsuhiro; Yamada, Tomofumi; Yakiyama, Yumi; Ishikawa, Eri; Morita, Yasushi; Ebihara, Masahiro; Kawano, Masaki","The diversity of Zn(ii) coordination networks composed of multi-interactive ligand TPHAP−via weak intermolecular interaction","CrystEngComm","2014","16","28","6335","","10.1039/c3ce42382d","","","0.689","synchrotron","","0.161","0.124","","","0.3556","0.3849","","","","","","1.365","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216827","15.1138","0.0001","18.5709","0.0001","15.6792","0.0001","90","","117.212","0.002","90","","3913.71","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H37 I N12 O Zn -","- C41 H34.5 I N12 O Zn -","- C164 H138 I4 N48 O4 Zn4 -","4","1","","Kojima, Tatsuhiro; Yamada, Tomofumi; Yakiyama, Yumi; Ishikawa, Eri; Morita, Yasushi; Ebihara, Masahiro; Kawano, Masaki","The diversity of Zn(ii) coordination networks composed of multi-interactive ligand TPHAP−via weak intermolecular interaction","CrystEngComm","2014","16","28","6335","","10.1039/c3ce42382d","","","0.68899","synchrotron","","0.0752","0.0657","","","0.1794","0.1873","","","","","","1.054","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216828","23.1344","0.0002","14.7104","0.0001","26.8906","0.0003","90","","110.411","0.0003","90","","8576.72","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H83 I6 N23 O11 Zn4 -","- C65 H72 I6 N23 O11 Zn4 -","- C260 H288 I24 N92 O44 Zn16 -","4","1","","Kojima, Tatsuhiro; Yamada, Tomofumi; Yakiyama, Yumi; Ishikawa, Eri; Morita, Yasushi; Ebihara, Masahiro; Kawano, Masaki","The diversity of Zn(ii) coordination networks composed of multi-interactive ligand TPHAP−via weak intermolecular interaction","CrystEngComm","2014","16","28","6335","","10.1039/c3ce42382d","","","0.75002","synchrotron","","0.0831","0.0663","","","0.176","0.1878","","","","","","1.051","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216829","7.0884","0.0003","7.715","0.0002","11.634","0.0005","80.755","0.003","78.037","0.004","83.455","0.003","612.18","0.04","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","bis-1,2,3-Triamino-2,4,6-triazinium ethylenetriaminetetraacetate diaqua","","- C16 H32 N14 O10 -","- C16 H32 N14 O10 -","- C16 H32 N14 O10 -","1","0.5","","Vella-Zarb, Liana; Braga, Dario; Guy Orpen, A.; Baisch, Ulrich","The influence of hydrogen bonding on the planar arrangement of melamine in crystal structures of its solvates, cocrystals and salts","CrystEngComm","2014","16","35","8147","","10.1039/C4CE00748D","","","0.71073","MoKα","","0.0655","0.0339","","","0.0832","0.0892","","","","","","0.897","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216830","7.4296","0.0006","12.3333","0.0011","11.9384","0.0011","90","","114.07","0.006","90","","998.81","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Melamine DMSO solvate","","- C5 H12 N6 O S -","- C5 H12 N6 O S -","- C20 H48 N24 O4 S4 -","4","1","","Vella-Zarb, Liana; Braga, Dario; Guy Orpen, A.; Baisch, Ulrich","The influence of hydrogen bonding on the planar arrangement of melamine in crystal structures of its solvates, cocrystals and salts","CrystEngComm","2014","16","35","8147","","10.1039/C4CE00748D","","","0.71073","MoKα","","0.0662","0.0386","","","0.0774","0.0868","","","","","","1.063","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216831","18.041","0.002","10.6373","0.0014","14.289","0.002","90","","103.652","0.014","90","","2664.7","0.6","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","dimelaminium sulfate","","- C6 H14 N12 O4 S -","- C6 H14 N12 O4 S -","- C48 H112 N96 O32 S8 -","8","1","","Vella-Zarb, Liana; Braga, Dario; Guy Orpen, A.; Baisch, Ulrich","The influence of hydrogen bonding on the planar arrangement of melamine in crystal structures of its solvates, cocrystals and salts","CrystEngComm","2014","16","35","8147","","10.1039/C4CE00748D","","","0.71073","MoKα","","0.2244","0.0493","","","0.0745","0.0972","","","","","","0.771","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216832","7.771","0.0014","9.8924","0.0018","12.186","0.002","90","","101.198","0.009","90","","919","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","melaminium dinitrate","","- C3 H8 N8 O6 -","- C3 H8 N8 O6 -","- C12 H32 N32 O24 -","4","1","","Vella-Zarb, Liana; Braga, Dario; Guy Orpen, A.; Baisch, Ulrich","The influence of hydrogen bonding on the planar arrangement of melamine in crystal structures of its solvates, cocrystals and salts","CrystEngComm","2014","16","35","8147","","10.1039/C4CE00748D","","","1.54178","CuKα","","0.3022","0.0335","","","0.0905","0.1046","","","","","","1.049","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216833","14.3308","0.0008","16.2228","0.001","13.1104","0.001","90","","109.388","0.007","90","","2875.1","0.3","150.15","","150.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tri-theobromine melamine","","- C24 H30 N18 O6 -","- C24 H30 N18 O6 -","- C96 H120 N72 O24 -","4","0.5","","Vella-Zarb, Liana; Braga, Dario; Guy Orpen, A.; Baisch, Ulrich","The influence of hydrogen bonding on the planar arrangement of melamine in crystal structures of its solvates, cocrystals and salts","CrystEngComm","2014","16","35","8147","","10.1039/C4CE00748D","","","1.54184","CuKα","","0.0839","0.0685","","","0.205","0.2244","","","","","","1.033","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216834","38.315","0.003","12.5251","0.001","29.193","0.002","90","","109.401","0.002","90","","13214.2","1.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","ST318","","","- C60 H84.6 Cl2 Mn2 O12.3 S3.3 -","- C60 H81.6 Cl2 Mn2 O12.3 S3.3 -","- C480 H652.8 Cl16 Mn16 O98.4 S26.4 -","8","1","","Taylor, Stephanie M.; Frost, Jamie M.; McLellan, Ross; McIntosh, Ruaraidh D.; Brechin, Euan K.; Dalgarno, Scott J.","Assembly of a calix[4]arene-supported MnIIIMnIIcluster mediated by halogen interactions","CrystEngComm","2014","16","35","8098","","10.1039/C4CE00729H","","","0.71073","MoKα","","0.1447","0.093","","","0.2335","0.2546","","","","","","1.575","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216835","11.9272","0.0015","13.954","0.003","20.185","0.002","90","","90","","90","","3359.4","0.9","150","2","150","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C14.7 H17.3 Cu0.5 N3.4 O3.9 -","- C10.5 H6.5 Cu0.5 N2 O2.5 -","- C84 H52 Cu4 N16 O20 -","8","1","","Coghlan, Campbell J.; Sumby, Christopher J.; Doonan, Christian J.","Utilising hinged ligands in MOF synthesis: a covalent linking strategy for forming 3D MOFs","CrystEngComm","2014","16","28","6364","","10.1039/c4ce00181h","","","0.71073","MoKα","","0.2069","0.1268","","","0.3509","0.3829","","","","","","0.994","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216836","23.269","0.005","10.602","0.002","24.34","0.005","90","","111.28","0.03","90","","5595","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 N5 O5 Zn -","- C21 H13 N4 O4 Zn -","- C168 H104 N32 O32 Zn8 -","8","1","","Coghlan, Campbell J.; Sumby, Christopher J.; Doonan, Christian J.","Utilising hinged ligands in MOF synthesis: a covalent linking strategy for forming 3D MOFs","CrystEngComm","2014","16","28","6364","","10.1039/c4ce00181h","","","0.71073","synchrotron","","0.0767","0.0706","","","0.1961","0.2007","","","","","","1.088","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216837","23.324","0.003","10.2514","0.0006","25.426","0.002","90","","116.19","0.015","90","","5455.3","1.1","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26.25 H25.25 Cd N5.75 O5.75 -","- C21 H13 Cd N4 O4 -","- C168 H104 Cd8 N32 O32 -","8","1","","Coghlan, Campbell J.; Sumby, Christopher J.; Doonan, Christian J.","Utilising hinged ligands in MOF synthesis: a covalent linking strategy for forming 3D MOFs","CrystEngComm","2014","16","28","6364","","10.1039/c4ce00181h","","","0.71073","MoKα","","0.0933","0.0619","","","0.1366","0.1476","","","","","","1.035","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216838","10.0477","0.0003","15.2023","0.001","22.6589","0.0007","90","","90","","90","","3461.1","0.3","109","2","109","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C13.5 H16.5 Co0.5 N3 O4.5 -","- C10.5 H9.5 Co0.5 N2 O3.5 -","- C84 H76 Co4 N16 O28 -","8","1","","Coghlan, Campbell J.; Sumby, Christopher J.; Doonan, Christian J.","Utilising hinged ligands in MOF synthesis: a covalent linking strategy for forming 3D MOFs","CrystEngComm","2014","16","28","6364","","10.1039/c4ce00181h","","","0.71073","MoKα","","0.0755","0.0574","","","0.1698","0.1791","","","","","","1.087","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216839","8.245","0.001","29.405","0.004","10.8415","0.0015","90","","108.285","0.006","90","","2495.7","0.6","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 Cu2 I2 N6 O2 -","- C22 H17 Cu2 I2 N6 O2 -","- C88 H68 Cu8 I8 N24 O8 -","4","1","","Argyle, Victoria J.; Roxburgh, Marina; Hanton, Lyall R.","Use of the oxime‒oximato binding mode to stabilise mixed valence copper iodide polymer networks using dipyridyl ketone oxime ligands","CrystEngComm","2014","16","28","6345","","10.1039/c3ce42481b","","","0.71069","MoKα","","0.0449","0.0434","","","0.1446","0.1473","","","","","","1.206","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216840","8.4693","0.0006","14.305","0.001","15.7364","0.0014","90","","90","","90","","1906.5","0.3","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H16 Cu N6 O2 -","- C22 H16 Cu N6 O2 -","- C88 H64 Cu4 N24 O8 -","4","0.5","","Argyle, Victoria J.; Roxburgh, Marina; Hanton, Lyall R.","Use of the oxime‒oximato binding mode to stabilise mixed valence copper iodide polymer networks using dipyridyl ketone oxime ligands","CrystEngComm","2014","16","28","6345","","10.1039/c3ce42481b","","","0.71069","MoKα","","0.0396","0.0313","","","0.0745","0.0787","","","","","","1.102","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216841","11.639","0.0009","15.3802","0.0012","14.9492","0.0011","90","","99.34","0.0004","90","","2640.6","0.3","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Cu2 I2 N7 O2 -","- C24 H20 Cu2 I2 N7 O2 -","- C96 H80 Cu8 I8 N28 O8 -","4","1","","Argyle, Victoria J.; Roxburgh, Marina; Hanton, Lyall R.","Use of the oxime‒oximato binding mode to stabilise mixed valence copper iodide polymer networks using dipyridyl ketone oxime ligands","CrystEngComm","2014","16","28","6345","","10.1039/c3ce42481b","","","0.71069","MoKα","","0.0163","0.0161","","","0.0383","0.0384","","","","","","1.15","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216842","8.6202","0.0006","9.025","0.0006","9.257","0.0007","69.48","0.004","69.496","0.004","84.874","0.004","631.29","0.08","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H9 Cu I N3 O -","- C11 H9 Cu I N3 O -","- C22 H18 Cu2 I2 N6 O2 -","2","1","","Argyle, Victoria J.; Roxburgh, Marina; Hanton, Lyall R.","Use of the oxime‒oximato binding mode to stabilise mixed valence copper iodide polymer networks using dipyridyl ketone oxime ligands","CrystEngComm","2014","16","28","6345","","10.1039/c3ce42481b","","","0.71069","MoKα","","0.0163","0.0154","","","0.0472","0.063","","","","","","1.397","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216843","12.6943","0.0003","32.7813","0.0007","24.8035","0.0005","90","","97.313","0.002","90","","10237.7","0.4","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C63 H66 Cu8 I8 N15 O7 -","- C63 H66 Cu8 I8 N15 O7 -","- C252 H264 Cu32 I32 N60 O28 -","4","0.5","","Argyle, Victoria J.; Roxburgh, Marina; Hanton, Lyall R.","Use of the oxime‒oximato binding mode to stabilise mixed valence copper iodide polymer networks using dipyridyl ketone oxime ligands","CrystEngComm","2014","16","28","6345","","10.1039/c3ce42481b","","","0.71069","MoKα","","0.0434","0.0364","","","0.0963","0.1006","","","","","","1.054","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216844","10.817","0.013","15.965","0.019","26.71","0.03","90","","112.31","0.04","90","","4267","9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H32 Cd2 N4 O10 -","- C48 H32 Cd2 N4 O10 -","- C192 H128 Cd8 N16 O40 -","4","1","","Hu, Fei-Long; Wang, Shu-Long; Wu, Bing; Yu, Hong; Wang, Fan; Lang, Jian-Ping","Ligand geometry-directed assembly of seven entangled coordination polymers","CrystEngComm","2014","16","28","6354","","10.1039/c3ce42545b","","","0.71073","MoKα","","0.0565","0.0319","","","0.0497","0.0553","","","","","","1.17","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216845","8.804","0.009","14.094","0.015","20.83","0.02","70.715","0.013","86.903","0.013","88.517","0.013","2436","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H42 Co2 N8 O13 -","- C52 H34 Co2 N8 O13 -","- C104 H68 Co4 N16 O26 -","2","1","","Hu, Fei-Long; Wang, Shu-Long; Wu, Bing; Yu, Hong; Wang, Fan; Lang, Jian-Ping","Ligand geometry-directed assembly of seven entangled coordination polymers","CrystEngComm","2014","16","28","6354","","10.1039/c3ce42545b","","","0.71073","MoKα","","0.0878","0.0575","","","0.1452","0.1674","","","","","","1.013","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216846","13.226","0.008","19.61","0.013","23.292","0.015","90","","101.312","0.007","90","","5924","7","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C57 H49 Mn3 N5 O20 -","- C57 H45 Mn3 N5 O20 -","- C228 H180 Mn12 N20 O80 -","4","1","","Hu, Fei-Long; Wang, Shu-Long; Wu, Bing; Yu, Hong; Wang, Fan; Lang, Jian-Ping","Ligand geometry-directed assembly of seven entangled coordination polymers","CrystEngComm","2014","16","28","6354","","10.1039/c3ce42545b","","","0.71073","MoKα","","0.0431","0.0399","","","0.1038","0.1067","","","","","","1.026","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216847","13.6","0.012","16.319","0.014","16.769","0.014","79.265","0.012","80.064","0.012","72.401","0.012","3458","5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H44 Mn2 N8 O10 -","- C64 H44 Mn2 N8 O10 -","- C128 H88 Mn4 N16 O20 -","2","1","","Hu, Fei-Long; Wang, Shu-Long; Wu, Bing; Yu, Hong; Wang, Fan; Lang, Jian-Ping","Ligand geometry-directed assembly of seven entangled coordination polymers","CrystEngComm","2014","16","28","6354","","10.1039/c3ce42545b","","","0.71073","MoKα","","0.1164","0.0561","","","0.0931","0.1031","","","","","","0.991","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216848","8.5322","0.0017","22.025","0.008","15.088","0.003","90","","90","","90","","2835.4","1.3","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C64 H46 Co2 N8 O11 -","- C64 H44 Co2 N8 O11 -","- C128 H88 Co4 N16 O22 -","2","0.25","","Hu, Fei-Long; Wang, Shu-Long; Wu, Bing; Yu, Hong; Wang, Fan; Lang, Jian-Ping","Ligand geometry-directed assembly of seven entangled coordination polymers","CrystEngComm","2014","16","28","6354","","10.1039/c3ce42545b","","","0.71073","MoKα","","0.1238","0.1162","","","0.2665","0.2721","","","","","","1.237","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216849","12.268","0.003","14.467","0.003","17.269","0.004","89.58","0.03","75.03","0.03","77.58","0.03","2887.8","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H90 Co5 N6 O32 -","- C132 H90 Co5 N6 O32 -","- C132 H90 Co5 N6 O32 -","1","0.5","","Hu, Fei-Long; Wang, Shu-Long; Wu, Bing; Yu, Hong; Wang, Fan; Lang, Jian-Ping","Ligand geometry-directed assembly of seven entangled coordination polymers","CrystEngComm","2014","16","28","6354","","10.1039/c3ce42545b","","","0.71073","MoKα","","0.1203","0.0857","","","0.1844","0.2051","","","","","","1.128","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216850","11.624","0.002","13.395","0.003","21.378","0.004","108.23","0.03","96.32","0.03","103.03","0.03","3020.9","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C126 H108 N10 Ni4 O29 -","- C126 H98 N10 Ni4 O29 -","- C126 H98 N10 Ni4 O29 -","1","0.5","","Hu, Fei-Long; Wang, Shu-Long; Wu, Bing; Yu, Hong; Wang, Fan; Lang, Jian-Ping","Ligand geometry-directed assembly of seven entangled coordination polymers","CrystEngComm","2014","16","28","6354","","10.1039/c3ce42545b","","","0.71073","MoKα","","0.116","0.0848","","","0.2499","0.2634","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216851","8.2996","0.0005","31.6381","0.0018","27.3595","0.0016","90","","95.45","0.001","90","","7151.7","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H12 Ag14 F30 N6 O20 -","- C48 H12 Ag14 F30 N6 O20 -","- C192 H48 Ag56 F120 N24 O80 -","4","1","","Hu, Ting; Yang, Jin; Mak, Thomas C. W.","Assembly of organometallic networks with multinuclear silver(i)‒ethynediide supramolecular synthon, trifluoroacetate and ligands derived from isomeric dicyanobenzenes","CrystEngComm","2014","16","28","6316","","10.1039/c3ce41671b","","","0.71073","MoKα","","0.0907","0.0804","","","0.1952","0.2043","","","","","","1.099","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216852","19.8943","0.0009","26.2204","0.0012","17.9454","0.0013","90","","119.636","0.001","90","","8136.4","0.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H16 Ag15 F30 N9 O23 -","- C56 H16 Ag15 F30 N9 O23 -","- C224 H64 Ag60 F120 N36 O92 -","4","0.5","","Hu, Ting; Yang, Jin; Mak, Thomas C. W.","Assembly of organometallic networks with multinuclear silver(i)‒ethynediide supramolecular synthon, trifluoroacetate and ligands derived from isomeric dicyanobenzenes","CrystEngComm","2014","16","28","6316","","10.1039/c3ce41671b","","","0.71073","MoKα","","0.0623","0.054","","","0.1477","0.1573","","","","","","1.07","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216853","6.9041","0.0005","18.7425","0.0016","22.4191","0.0019","90","","97.687","0.001","90","","2875","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 Ag6 F6 O13 -","- C22 H12 Ag6 F6 O13 -","- C88 H48 Ag24 F24 O52 -","4","1","","Hu, Ting; Yang, Jin; Mak, Thomas C. W.","Assembly of organometallic networks with multinuclear silver(i)‒ethynediide supramolecular synthon, trifluoroacetate and ligands derived from isomeric dicyanobenzenes","CrystEngComm","2014","16","28","6316","","10.1039/c3ce41671b","","","0.71073","MoKα","","0.0589","0.0483","","","0.1261","0.136","","","","","","1.022","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216854","18.999","0.003","17.422","0.002","8.2616","0.0011","90","","96.619","0.002","90","","2716.4","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H9 Ag6 F6 N O10 -","- C22 H9 Ag6 F6 N O10 -","- C88 H36 Ag24 F24 N4 O40 -","4","1","","Hu, Ting; Yang, Jin; Mak, Thomas C. W.","Assembly of organometallic networks with multinuclear silver(i)‒ethynediide supramolecular synthon, trifluoroacetate and ligands derived from isomeric dicyanobenzenes","CrystEngComm","2014","16","28","6316","","10.1039/c3ce41671b","","","0.71073","MoKα","","0.1126","0.0981","","","0.2317","0.2472","","","","","","1.077","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216855","8.2222","0.0007","16.2247","0.0014","16.4614","0.0014","93.275","0.002","95.797","0.001","97.895","0.001","2158.4","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H16 Ag8 F12 N2 O16 -","- C26 H8 Ag8 F12 N2 O16 -","- C52 H16 Ag16 F24 N4 O32 -","2","1","","Hu, Ting; Yang, Jin; Mak, Thomas C. W.","Assembly of organometallic networks with multinuclear silver(i)‒ethynediide supramolecular synthon, trifluoroacetate and ligands derived from isomeric dicyanobenzenes","CrystEngComm","2014","16","28","6316","","10.1039/c3ce41671b","","","0.71073","MoKα","","0.1017","0.0901","","","0.2299","0.2435","","","","","","1.052","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216856","27.31","0.003","8.4645","0.0008","32.75","0.003","90","","109.776","0.002","90","","7124.2","1.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H20 Ag16 F18 N4 O24 -","- C56 H20 Ag16 F18 N4 O24 -","- C224 H80 Ag64 F72 N16 O96 -","4","1","","Hu, Ting; Yang, Jin; Mak, Thomas C. W.","Assembly of organometallic networks with multinuclear silver(i)‒ethynediide supramolecular synthon, trifluoroacetate and ligands derived from isomeric dicyanobenzenes","CrystEngComm","2014","16","28","6316","","10.1039/c3ce41671b","","","0.71073","MoKα","","0.1059","0.0854","","","0.2163","0.2364","","","","","","1.114","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216857","23.0358","0.0018","11.6305","0.0009","14.5521","0.0012","90","","114.492","0.001","90","","3548","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 N2 O6 Zn -","- C18 H14 N2 O6 Zn -","- C144 H112 N16 O48 Zn8 -","8","1","","Cui, Pei-Pei; Zhao, Yue; Lv, Gao-Chao; Liu, Qing; Zhao, Xiao-Liang; Lu, Yi; Sun, Wei-Yin","Synthesis, characterization and selective hysteretic sorption property of metal‒organic frameworks with 3,5-di(pyridine-4-yl)benzoate","CrystEngComm","2014","16","28","6300","","10.1039/c3ce42260g","","","0.71073","MoKα","","0.0458","0.0394","","","0.1135","0.1183","","","","","","1.034","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216858","15.0968","0.0014","23.363","0.002","16.7676","0.0016","90","","90","","90","","5914","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C34 H22 Cd N4 O4 -","- C34 H22 Cd N4 O4 -","- C272 H176 Cd8 N32 O32 -","8","1","","Cui, Pei-Pei; Zhao, Yue; Lv, Gao-Chao; Liu, Qing; Zhao, Xiao-Liang; Lu, Yi; Sun, Wei-Yin","Synthesis, characterization and selective hysteretic sorption property of metal‒organic frameworks with 3,5-di(pyridine-4-yl)benzoate","CrystEngComm","2014","16","28","6300","","10.1039/c3ce42260g","","","0.71073","MoKα","","0.0613","0.0456","","","0.1353","0.1505","","","","","","1.053","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216859","18.601","0.003","13.5351","0.0019","14.0326","0.0019","90","","94.773","0.002","90","","3520.7","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 Co N2 O5 -","- C21 H15 Co N2 O5 -","- C168 H120 Co8 N16 O40 -","8","1","","Cui, Pei-Pei; Zhao, Yue; Lv, Gao-Chao; Liu, Qing; Zhao, Xiao-Liang; Lu, Yi; Sun, Wei-Yin","Synthesis, characterization and selective hysteretic sorption property of metal‒organic frameworks with 3,5-di(pyridine-4-yl)benzoate","CrystEngComm","2014","16","28","6300","","10.1039/c3ce42260g","","","0.71073","MoKα","","0.1368","0.0512","","","0.1016","0.1307","","","","","","0.94","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216862","14.8357","0.0007","14.8357","0.0007","6.7854","0.0006","90","","90","","90","","1493.45","0.17","291","2","291","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C32 H16 Ca4 F16 O24 -","- C32 H16 Ca4 F16 O24 -","- C32 H16 Ca4 F16 O24 -","1","0.125","","Chen, Sheng-Chun; Tian, Feng; Huang, Kun-Lin; Li, Cheng-Peng; Zhong, Jing; He, Ming-Yang; Zhang, Zhi-Hui; Wang, Hong-Ning; Du, Miao; Chen, Qun","Solvent-mediated assembly of chiral/achiral hydrophilic Ca(ii)-tetrafluoroterephthalate coordination frameworks: 3D chiral water aggregation, structural transformation and selective CO2adsorption","CrystEngComm","2014","16","33","7673","","10.1039/C4CE01019A","","","0.71073","MoKα","","0.056","0.0525","","","0.1281","0.1287","","","","","","1.042","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216863","10.95","0.02","17.7","0.03","7.843","0.015","90","","102.33","0.04","90","","1485","5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Ca F4 O6 -","- C10 H8 Ca F4 O6 -","- C40 H32 Ca4 F16 O24 -","4","0.5","","Chen, Sheng-Chun; Tian, Feng; Huang, Kun-Lin; Li, Cheng-Peng; Zhong, Jing; He, Ming-Yang; Zhang, Zhi-Hui; Wang, Hong-Ning; Du, Miao; Chen, Qun","Solvent-mediated assembly of chiral/achiral hydrophilic Ca(ii)-tetrafluoroterephthalate coordination frameworks: 3D chiral water aggregation, structural transformation and selective CO2adsorption","CrystEngComm","2014","16","33","7673","","10.1039/C4CE01019A","","","0.71073","MoKα","","0.0796","0.0639","","","0.1978","0.2168","","","","","","1.035","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216864","3.7395","0.0012","22.568","0.007","6.767","0.002","90","","93.286","0.006","90","","570.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 H8 Ca F4 O8 -","- C8 H8 Ca F4 O8 -","- C16 H16 Ca2 F8 O16 -","2","0.5","","Chen, Sheng-Chun; Tian, Feng; Huang, Kun-Lin; Li, Cheng-Peng; Zhong, Jing; He, Ming-Yang; Zhang, Zhi-Hui; Wang, Hong-Ning; Du, Miao; Chen, Qun","Solvent-mediated assembly of chiral/achiral hydrophilic Ca(ii)-tetrafluoroterephthalate coordination frameworks: 3D chiral water aggregation, structural transformation and selective CO2adsorption","CrystEngComm","2014","16","33","7673","","10.1039/C4CE01019A","","","0.71073","MoKα","","0.0302","0.0298","","","0.0791","0.0794","","","","","","1.067","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7217008","5.288","0.0001","31.171","0.002","11.312","0.001","90","","90.158","0.002","90","","1864.6","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H11.5 Br0.5 N O2 -","- C9 H11.5 Br0.5 N O2 -","- C72 H92 Br4 N8 O16 -","8","4","","Surekha, R.; Gunaseelan, R.; Sagayaraj, P.; Ambujam, K.","l-Phenylalaninel-phenylalaninium bromide – a new nonlinear optical material","CrystEngComm","2014","16","34","7979","","10.1039/C4CE00718B","","","0.71073","MoKα","","0.0799","0.0578","","","0.1379","0.1475","","","","","","1.06","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217009","16.821","0.0006","16.821","0.0006","55.396","0.002","90","","90","","120","","13574.2","0.8","140","2","140","2","","","","","","","synthesis","6","R -3 c :H","-R 3 2""c","167","[Fe3La(tea)2(dpm)6]","","","- C78 H138 Fe3 La N2 O18 -","- C78 H138 Fe3 La N2 O18 -","- C468 H828 Fe18 La6 N12 O108 -","6","0.166667","","Rigamonti, Luca; Cornia, Andrea; Nava, Andrea; Perfetti, Mauro; Boulon, Marie-Emmanuelle; Barra, Anne-Laure; Zhong, Xiaoliang; Park, Kyungwha; Sessoli, Roberta","Mapping of single-site magnetic anisotropy tensors in weakly coupled spin clusters by torque magnetometry.","Physical chemistry chemical physics : PCCP","2014","16","32","17220","17230","10.1039/c4cp02462a","","","0.71073","MoKα","","0.0477","0.0375","","","0.101","0.1101","","","","","","1.075","","","","has coordinates,has disorder","180501","2020-10-21","18:00:00",""
"7217013","12.9551","0.0002","11.293","0.00015","14.6992","0.0003","90","","115.648","0.002","90","","1938.63","0.06","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 N3 -","- C26 H19 N3 -","- C104 H76 N12 -","4","1","","Percino, M. Judith; Cerón, Margarita; Soriano-Moro, Guillermo; Castro, M. Eugenia; Chapela, Víctor M.; Bonilla, José; Reyes-Reyes, Marisol; López-Sandoval, Román","The effect of the supramolecular network of (Z)-3-(4-(diphenylamino)phenyl)-2-(pyridin-2-yl)-acrylonitrile on the fluorescence behavior of a single crystal: experimental and theoretical studies","CrystEngComm","2014","16","36","8591","","10.1039/C4CE00327F","","","0.71073","MoKα","","0.0427","0.038","","","0.0972","0.1","","","","","","1.066","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217023","9.6133","0.0002","45.6542","0.0012","10.5801","0.0003","90","","113.202","0.001","90","","4267.92","0.19","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H39 N4 Ni O8.5 P2 S4 -","- C38 H39 N4 Ni O8.5 P2 S4 -","- C152 H156 N16 Ni4 O34 P8 S16 -","4","2","","Crespo Alonso, M.; Arca, M.; Isaia, F.; Lai, R.; Lippolis, V.; Callear, S. K.; Caricato, M.; Pasini, D.; Coles, S. J.; Aragoni, M. C.","Stereospecific generation of homochiral helices in coordination polymers built from enantiopure binaphthyl-based ligands","CrystEngComm","2014","16","36","8582","","10.1039/C4CE01101E","","","0.71073","MoKα","","0.0894","0.0587","","","0.1199","0.1325","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217024","15.332","0.002","8.6055","0.001","34.795","0.004","90","","90","","90","","4590.8","1","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H46 N4 Ni O8 P2 S4 -","- C42 H46 N4 Ni O8 P2 S4 -","- C168 H184 N16 Ni4 O32 P8 S16 -","4","1","","Crespo Alonso, M.; Arca, M.; Isaia, F.; Lai, R.; Lippolis, V.; Callear, S. K.; Caricato, M.; Pasini, D.; Coles, S. J.; Aragoni, M. C.","Stereospecific generation of homochiral helices in coordination polymers built from enantiopure binaphthyl-based ligands","CrystEngComm","2014","16","36","8582","","10.1039/C4CE01101E","","","0.71073","MoKα","","0.2125","0.1495","","","0.2815","0.3147","","","","","","1.162","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217025","8.157","0.003","9.405","0.004","12.802","0.008","105.22","0.008","98.276","0.008","107.826","0.006","874.9","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","1","","","- C20 H15 Co N4 O5 -","- C20 H15 Co N4 O5 -","- C40 H30 Co2 N8 O10 -","2","1","","Su, Feng; Lu, Liping; Feng, Sisi; Zhu, Miaoli","Self-assembly and magnetic properties of Ni(ii)/Co(ii) coordination polymers based on 1,4-bis(imidazol-1-yl)benzene and varying biphenyltetracarboxylates","CrystEngComm","2014","16","34","7990","","10.1039/C4CE01020E","","","0.71073","MoKα","","0.0429","0.0321","","","0.0718","0.0765","","","","","","1.082","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217026","8.1587","0.0009","9.3411","0.0012","12.7338","0.0012","105.254","0.002","98.139","0.002","107.777","0.002","865.17","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","2","","","- C20 H15 N4 Ni O5 -","- C20 H15 N4 Ni O5 -","- C40 H30 N8 Ni2 O10 -","2","1","","Su, Feng; Lu, Liping; Feng, Sisi; Zhu, Miaoli","Self-assembly and magnetic properties of Ni(ii)/Co(ii) coordination polymers based on 1,4-bis(imidazol-1-yl)benzene and varying biphenyltetracarboxylates","CrystEngComm","2014","16","34","7990","","10.1039/C4CE01020E","","","0.71073","MoKα","","0.1183","0.0592","","","0.1375","0.1717","","","","","","0.851","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217027","11.0648","0.0016","12.6093","0.0017","15.0869","0.0017","90","","119.371","0.008","90","","1834.4","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3","","","- C20 H17 Co N4 O6 -","- C20 H17 Co N4 O6 -","- C80 H68 Co4 N16 O24 -","4","1","","Su, Feng; Lu, Liping; Feng, Sisi; Zhu, Miaoli","Self-assembly and magnetic properties of Ni(ii)/Co(ii) coordination polymers based on 1,4-bis(imidazol-1-yl)benzene and varying biphenyltetracarboxylates","CrystEngComm","2014","16","34","7990","","10.1039/C4CE01020E","","","0.71073","MoKα","","0.077","0.0402","","","0.0722","0.0854","","","","","","1.011","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217028","24.343","0.009","12.291","0.004","18.868","0.008","90","","121.369","0.01","90","","4820","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4","","","- C40 H48 N12 Ni2 O15 -","- C40 H48 N12 Ni2 O15 -","- C160 H192 N48 Ni8 O60 -","4","0.5","","Su, Feng; Lu, Liping; Feng, Sisi; Zhu, Miaoli","Self-assembly and magnetic properties of Ni(ii)/Co(ii) coordination polymers based on 1,4-bis(imidazol-1-yl)benzene and varying biphenyltetracarboxylates","CrystEngComm","2014","16","34","7990","","10.1039/C4CE01020E","","","0.71073","MoKα","","0.1017","0.0583","","","0.1464","0.1743","","","","","","1.028","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217029","24.579","0.005","11.8337","0.0018","18.816","0.003","90","","121.09","0.005","90","","4686.7","1.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","5","","","- C26 H20 N6 Ni O5 -","- C26 H20 N6 Ni O5 -","- C208 H160 N48 Ni8 O40 -","8","1","","Su, Feng; Lu, Liping; Feng, Sisi; Zhu, Miaoli","Self-assembly and magnetic properties of Ni(ii)/Co(ii) coordination polymers based on 1,4-bis(imidazol-1-yl)benzene and varying biphenyltetracarboxylates","CrystEngComm","2014","16","34","7990","","10.1039/C4CE01020E","","","0.71073","MoKα","","0.1322","0.0751","","","0.2206","0.2673","","","","","","0.997","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217032","7.7413","0.0007","17.8726","0.0016","11.0065","0.001","90","","97.879","0.001","90","","1508.5","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","sulfacetamide4-aminopyridineSalt","N-4-aminophenylsulfonylacetamidePyridine-4-amine","","- C13 H16 N4 O3 S -","- C13 H16 N4 O3 S -","- C52 H64 N16 O12 S4 -","4","1","","Rajesh Goud, N.; Khan, Ronaq Ali; Nangia, Ashwini","Modulating the solubility of sulfacetamide by means of cocrystals","CrystEngComm","2014","16","26","5859","","10.1039/c4ce00103f","","","0.71073","MoKα","","0.0552","0.0496","","","0.1195","0.1226","","","","","","1.191","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217033","11.6469","0.0009","10.467","0.0006","12.4421","0.0009","90","","116.51","0.01","90","","1357.3","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","sulfacetamide4,4'bipyridinecocrystal","N-4-aminophenylsulfonylacetamide4,4'bipyridine","","- C13 H14 N3 O3 S -","- C13 H14 N3 O3 S -","- C52 H56 N12 O12 S4 -","4","1","","Rajesh Goud, N.; Khan, Ronaq Ali; Nangia, Ashwini","Modulating the solubility of sulfacetamide by means of cocrystals","CrystEngComm","2014","16","26","5859","","10.1039/c4ce00103f","","","0.71073","MoKα","","0.0501","0.0404","","","0.1059","0.1131","","","","","","1.035","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217034","7.1821","0.0006","30.43","0.003","8.8188","0.0007","90","","107.679","0.001","90","","1836.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","SulfacetamideCaffeinecocrystal","N-4-aminophenylsulfonylacetamide3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione","","- C16 H20 N6 O5 S -","- C16 H20 N6 O5 S -","- C64 H80 N24 O20 S4 -","4","1","","Rajesh Goud, N.; Khan, Ronaq Ali; Nangia, Ashwini","Modulating the solubility of sulfacetamide by means of cocrystals","CrystEngComm","2014","16","26","5859","","10.1039/c4ce00103f","","","0.71073","MoKα","","0.0464","0.0436","","","0.1138","0.1158","","","","","","1.074","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217035","10.7667","0.0004","9.7508","0.0004","21.1014","0.0007","90","","96.176","0.003","90","","2202.45","0.14","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","SulfacetamideIsonicotinamidecocrystal","N-4-aminophenylsulfonylacetamidePyridine-4-carboxamide","","- C20 H22 N6 O5 S -","- C20 H22 N6 O5 S -","- C80 H88 N24 O20 S4 -","4","1","","Rajesh Goud, N.; Khan, Ronaq Ali; Nangia, Ashwini","Modulating the solubility of sulfacetamide by means of cocrystals","CrystEngComm","2014","16","26","5859","","10.1039/c4ce00103f","","","0.71073","MoKα","","0.0545","0.0407","","","0.0963","0.1057","","","","","","1.065","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217036","8.664","0.0007","14.9675","0.0013","15.3632","0.0015","110.234","0.002","106.365","0.001","97.283","0.001","1737.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","SulfacetamideTheophyllinecocrystal","N-4-aminophenylsulfonylacetamide1,3-dimethyl-7H-purine-2,6-dione","","- C15 H18 N6 O5 S -","- C15 H18 N6 O5 S -","- C60 H72 N24 O20 S4 -","4","2","","Rajesh Goud, N.; Khan, Ronaq Ali; Nangia, Ashwini","Modulating the solubility of sulfacetamide by means of cocrystals","CrystEngComm","2014","16","26","5859","","10.1039/c4ce00103f","","","0.71073","MoKα","","0.059","0.0505","","","0.1232","0.1297","","","","","","0.953","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217037","15.9288","0.0003","6.9261","0.0002","7.8324","0.0002","90","","90","","90","","864.11","0.04","170","2","170","2","","","","","","","","4","P n m a","-P 2ac 2n","62","1,1,3-trichloro-1H-isoindole","","","- C8 H4 Cl3 N -","- C8 H4 Cl3 N -","- C32 H16 Cl12 N4 -","4","0.5","","Ayhan, Mehmet Menaf; Zorlu, Yunus; Gökdemir, Özlem; Gürek, Ayşe Gül; Dumoulin, Fabienne; Ahsen, Vefa; Hirel, Catherine","Optimized synthesis and crystal growth by sublimation of 1,3,3-trichloroisoindolenines, key building blocks for crosswise phthalocyanines","CrystEngComm","2014","16","29","6556","","10.1039/c4ce00189c","","","0.71073","MoKα","","0.023","0.022","","","0.0615","0.0623","","","","","","1.172","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217038","7.8916","0.0007","7.1079","0.0007","9.4988","0.0011","90","","97.514","0.007","90","","528.24","0.09","299","2","299","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","1,1,3,4,5,6,7-heptachloro-1H-isoindole","","","- C8 H2 Cl5 N -","- C8 H2 Cl5 N -","- C16 H4 Cl10 N2 -","2","0.5","","Ayhan, Mehmet Menaf; Zorlu, Yunus; Gökdemir, Özlem; Gürek, Ayşe Gül; Dumoulin, Fabienne; Ahsen, Vefa; Hirel, Catherine","Optimized synthesis and crystal growth by sublimation of 1,3,3-trichloroisoindolenines, key building blocks for crosswise phthalocyanines","CrystEngComm","2014","16","29","6556","","10.1039/c4ce00189c","","","0.71073","MoKα","","0.0376","0.0322","","","0.0946","0.0984","","","","","","1.143","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217039","7.408","0.001","14.011","0.002","21.402","0.004","90","","90","","90","","2221.4","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","{[Cu2(Hsersal)2(H2O)].H2O}n","","","- C20 H26 Cu2 N2 O10 -","- C20 H26 Cu2 N2 O10 -","- C80 H104 Cu8 N8 O40 -","4","1","","Kumar, Navnita; Khullar, Sadhika; Singh, Yogesh; Mandal, Sanjay K.","Hierarchical importance of coordination and hydrogen bonds in the formation of homochiral 2D coordination polymers and 2D supramolecular assemblies","CrystEngComm","2014","16","29","6730","","10.1039/c4ce00387j","","","0.71073","MoKα","","0.0561","0.0415","","","0.0882","0.0954","","","","","","0.966","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217040","7.4137","0.0004","13.3645","0.0007","13.4407","0.0007","90","","103.816","0.002","90","","1293.18","0.12","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Cu2(Hser-5Cl-sal)2(H2O)].CH3OH","","","- C21 H26 Cl2 Cu2 N2 O10 -","- C21 H26 Cl2 Cu2 N2 O10 -","- C42 H52 Cl4 Cu4 N4 O20 -","2","1","","Kumar, Navnita; Khullar, Sadhika; Singh, Yogesh; Mandal, Sanjay K.","Hierarchical importance of coordination and hydrogen bonds in the formation of homochiral 2D coordination polymers and 2D supramolecular assemblies","CrystEngComm","2014","16","29","6730","","10.1039/c4ce00387j","","","0.71073","MoKα","","0.0213","0.0202","","","0.0408","0.041","","","","","","1.148","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217041","25.187","0.005","6.6672","0.0013","10.488","0.002","90","","100.653","0.011","90","","1730.9","0.6","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","[Cu2(4,4?-bpy)(Hsersal)2].2H2O","","","- C30 H34 Cu2 N4 O10 -","- C30 H30 Cu2 N4 O10 -","- C60 H60 Cu4 N8 O20 -","2","0.5","","Kumar, Navnita; Khullar, Sadhika; Singh, Yogesh; Mandal, Sanjay K.","Hierarchical importance of coordination and hydrogen bonds in the formation of homochiral 2D coordination polymers and 2D supramolecular assemblies","CrystEngComm","2014","16","29","6730","","10.1039/c4ce00387j","","","0.71073","MoKα","","0.0558","0.0524","","","0.1632","0.1657","","","","","","1.091","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217042","24.8013","0.0018","6.8049","0.0006","10.5081","0.0007","90","","100.988","0.004","90","","1740.9","0.2","180","2","180","2","","","","","","","","5","C 1 2 1","C 2y","5","[Cu2(4,4'-bpy)(Hser-5-OMe-sal)2].CH3OH","","","- C33 H38 Cu2 N4 O11 -","- C33 H37 Cu2 N4 O11 -","- C66 H74 Cu4 N8 O22 -","2","0.5","","Kumar, Navnita; Khullar, Sadhika; Singh, Yogesh; Mandal, Sanjay K.","Hierarchical importance of coordination and hydrogen bonds in the formation of homochiral 2D coordination polymers and 2D supramolecular assemblies","CrystEngComm","2014","16","29","6730","","10.1039/c4ce00387j","","","0.71073","MoKα","","0.0534","0.049","","","0.1434","0.1518","","","","","","1.098","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217043","23.4854","0.0018","6.8789","0.0005","13.6839","0.0011","90","","101.685","0.004","90","","2164.9","0.3","180","2","180","2","","","","","","","","6","C 1 2 1","C 2y","5","[Cu2(4,4'-bpy)(Hser-5-NO2-sal)2].3DMSO","","","- C36 H46 Cu2 N6 O15 S3 -","- C36 H40 Cu2 N6 O15 S3 -","- C72 H80 Cu4 N12 O30 S6 -","2","0.5","","Kumar, Navnita; Khullar, Sadhika; Singh, Yogesh; Mandal, Sanjay K.","Hierarchical importance of coordination and hydrogen bonds in the formation of homochiral 2D coordination polymers and 2D supramolecular assemblies","CrystEngComm","2014","16","29","6730","","10.1039/c4ce00387j","","","0.71073","MoKα","","0.0654","0.0494","","","0.1315","0.1451","","","","","","0.935","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217044","6.8225","0.0006","8.6115","0.0009","10.7203","0.0012","67.906","0.01","86.057","0.008","78.308","0.008","571.46","0.11","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 F N2 O5 -","- C11 H9 F N2 O5 -","- C22 H18 F2 N4 O10 -","2","1","","Li, Song; Chen, Jia-Mei; Lu, Tong-Bu","Synthon polymorphs of 1 : 1 co-crystal of 5-fluorouracil and 4-hydroxybenzoic acid: their relative stability and solvent polarity dependence of grinding outcomes","CrystEngComm","2014","16","28","6450","","10.1039/c4ce00221k","","","1.54178","CuKα","","0.063","0.0456","","","0.1106","0.1266","","","","","","1.054","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217045","7.0356","0.0003","14.9022","0.0013","10.2665","0.0004","90","","99.418","0.004","90","","1061.89","0.11","150.02","0.11","150.02","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 F N2 O5 -","- C11 H9 F N2 O5 -","- C44 H36 F4 N8 O20 -","4","1","","Li, Song; Chen, Jia-Mei; Lu, Tong-Bu","Synthon polymorphs of 1 : 1 co-crystal of 5-fluorouracil and 4-hydroxybenzoic acid: their relative stability and solvent polarity dependence of grinding outcomes","CrystEngComm","2014","16","28","6450","","10.1039/c4ce00221k","","","1.54178","CuKα","","0.1014","0.0617","","","0.149","0.1844","","","","","","1.055","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217046","18.65","0.03","7.982","0.011","27.53","0.04","90","","109.469","0.016","90","","3864","10","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H32 Cd2 N4 O18 -","- C41 H32 Cd2 N4 O18 -","- C164 H128 Cd8 N16 O72 -","4","0.5","","Chang, Xin-Hong; Zhao, Ying; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Five Cd(ii) coordination polymers based on 2,3′,5,5′-biphenyltetracarboxylic acid and N-donor coligands: syntheses, structures and fluorescent properties","CrystEngComm","2014","16","28","6417","","10.1039/c4ce00355a","","","0.71073","MoKα","","0.1269","0.0806","","","0.1987","0.2398","","","","","","1.064","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217047","10.3863","0.0012","12.9737","0.0015","10.8834","0.0013","90","","113.582","0.001","90","","1344.1","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 Cd2 N4 O10 -","- C26 H24 Cd2 N4 O10 -","- C52 H48 Cd4 N8 O20 -","2","1","","Chang, Xin-Hong; Zhao, Ying; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Five Cd(ii) coordination polymers based on 2,3′,5,5′-biphenyltetracarboxylic acid and N-donor coligands: syntheses, structures and fluorescent properties","CrystEngComm","2014","16","28","6417","","10.1039/c4ce00355a","","","0.71073","MoKα","","0.0191","0.0182","","","0.0388","0.0391","","","","","","1.032","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217048","11.128","0.005","14.055","0.006","22.979","0.01","90","","103.992","0.005","90","","3487","3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Cd2 N4 O13 -","- C30 H30 Cd2 N4 O13 -","- C120 H120 Cd8 N16 O52 -","4","1","","Chang, Xin-Hong; Zhao, Ying; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Five Cd(ii) coordination polymers based on 2,3′,5,5′-biphenyltetracarboxylic acid and N-donor coligands: syntheses, structures and fluorescent properties","CrystEngComm","2014","16","28","6417","","10.1039/c4ce00355a","","","0.71073","MoKα","","0.0454","0.0305","","","0.064","0.0698","","","","","","1.028","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217049","17.246","0.006","17.018","0.006","10.945","0.004","90","","91.414","0.004","90","","3211","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Cd N4 O9 -","- C36 H28 Cd N4 O9 -","- C144 H112 Cd4 N16 O36 -","4","1","","Chang, Xin-Hong; Zhao, Ying; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Five Cd(ii) coordination polymers based on 2,3′,5,5′-biphenyltetracarboxylic acid and N-donor coligands: syntheses, structures and fluorescent properties","CrystEngComm","2014","16","28","6417","","10.1039/c4ce00355a","","","0.71073","MoKα","","0.0624","0.037","","","0.0665","0.0753","","","","","","1.021","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217050","13.3294","0.0017","16.202","0.002","20.283","0.003","90","","99.496","0.002","90","","4320.4","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 Cd2 N6 O9 -","- C31 H20 Cd2 N6 O9 -","- C124 H80 Cd8 N24 O36 -","4","1","","Chang, Xin-Hong; Zhao, Ying; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Five Cd(ii) coordination polymers based on 2,3′,5,5′-biphenyltetracarboxylic acid and N-donor coligands: syntheses, structures and fluorescent properties","CrystEngComm","2014","16","28","6417","","10.1039/c4ce00355a","","","0.71073","MoKα","","0.1021","0.059","","","0.1463","0.1622","","","","","","0.987","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217051","32.366","0.005","32.366","0.005","32.366","0.005","90","","90","","90","","33905","9","173","2","173","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C312 H176 N8 O148 Zn28 -","- C312 H120 O124 Zn28 -","- C312 H120 O124 Zn28 -","1","0.0208333","","Kim, Dongwook; Liu, Xinfang; Oh, Minhak; Song, Xiaokai; Zou, Yang; Singh, Devendra; Kim, Kwang S.; Lah, Myoung Soo","Isoreticular MOFs based on a rhombic dodecahedral MOP as a tertiary building unit","CrystEngComm","2014","16","28","6391","","10.1039/c4ce00017j","","","0.71073","MoKα","","0.3461","0.2841","","","0.5272","0.556","","","","","","1.693","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217052","31.102","0.004","31.102","0.004","31.102","0.004","90","","90","","90","","30086","7","100","2","100","2","","","","","","","","5","P m -3","-P 2 2 3","200","","","","- C288 H200 N32 O172 Zn28 -","- C288 H144 N24 O148 Zn28 -","- C288 H144 N24 O148 Zn28 -","1","0.0416667","","Kim, Dongwook; Liu, Xinfang; Oh, Minhak; Song, Xiaokai; Zou, Yang; Singh, Devendra; Kim, Kwang S.; Lah, Myoung Soo","Isoreticular MOFs based on a rhombic dodecahedral MOP as a tertiary building unit","CrystEngComm","2014","16","28","6391","","10.1039/c4ce00017j","","","1","synchrotron","","0.1366","0.1101","","","0.266","0.2876","","","","","","1.062","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7217053","7.8156","0.0008","10.3153","0.0017","20.747","0.002","101.272","0.011","100.209","0.008","97.106","0.012","1592.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 Cu N2 O6 -","- C34 H38 Cu N2 O6 -","- C68 H76 Cu2 N4 O12 -","2","1","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71073","MoKα","","0.0854","0.0467","","","0.1188","0.1336","","","","","","1.029","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217054","31.05","0.14","9.83","0.04","20.58","0.09","90","","101.19","0.08","90","","6162","5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H76 Mn2 N4 O10 -","- C70 H76 Mn2 N4 O10 -","- C280 H304 Mn8 N16 O40 -","4","0.5","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71073","MoKα","","0.0687","0.0577","","","0.1522","0.1628","","","","","","1.057","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217055","31.01","0.07","9.72","0.02","20.78","0.05","90","","101.99","0.03","90","","6127","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H76 N4 O12 Zn2 -","- C68 H76 N4 O12 Zn2 -","- C272 H304 N16 O48 Zn8 -","4","0.5","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71073","MoKα","","0.0519","0.0479","","","0.1346","0.1456","","","","","","1.191","","","","has coordinates,has disorder","301864","2025-08-22","15:14:36",""
"7217056","20.2631","0.0003","20.2631","0.0003","13.8155","0.0005","90","","90","","90","","5672.6","0.2","150","2","150","2","","","","","","","","5","I 41","I 4bw","80","","","","- C32 H32 Mn N2 O5 -","- C32 H32 Mn N2 O5 -","- C256 H256 Mn8 N16 O40 -","8","1","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71073","MoKα","","0.0319","0.0273","","","0.0614","0.0631","","","","","","1.019","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217057","20.572","0.0008","20.572","0.0014","13.725","0.002","90","","90","","90","","5808.5","1","293","2","293","2","","","","","","","","5","I 41","I 4bw","80","","","","- C32 H32 Cu N2 O5 -","- C32 H32 Cu N2 O5 -","- C256 H256 Cu8 N16 O40 -","8","1","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71073","MoKα","","0.1035","0.0432","","","0.091","0.1063","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217058","12.0429","0.0009","11.3433","0.0005","14.8837","0.0007","90","","98.784","0.005","90","","2009.4","0.2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C42 H54 N2 O4 Zn -","- C42 H54 N2 O4 Zn -","- C84 H108 N4 O8 Zn2 -","2","0.25","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71073","MoKα","","0.0504","0.0383","","","0.1023","0.1075","","","","","","1.064","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217059","13.211","0.008","11.69","0.007","14.445","0.009","90","","99.835","0.011","90","","2198","2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 Mn N2 O5 -","- C23 H26 Mn N2 O5 -","- C92 H104 Mn4 N8 O20 -","4","1","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71075","MoKα","","0.0954","0.0814","","","0.1557","0.1625","","","","","","1.194","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217060","28.204","0.0018","11.495","0.0015","15.042","0.0009","90","","114.001","0.005","90","","4455","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H50 N4 O9 S Zn2 -","- C46 H50 N4 O9 S Zn2 -","- C184 H200 N16 O36 S4 Zn8 -","4","0.5","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71073","MoKα","","0.0561","0.0321","","","0.0793","0.0882","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217061","22.74","0.12","28.36","0.13","10.39","0.05","90","","101.66","0.08","90","","6562","6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 N2 O8 P2 Zn -","- C34 H28 N2 O8 P2 Zn -","- C272 H224 N16 O64 P16 Zn8 -","8","1","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71073","MoKα","","0.1634","0.1326","","","0.3206","0.3494","","","","","","1.31","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217062","9.6304","0.0007","9.6386","0.0007","10.013","0.0007","85.443","0.001","72.785","0.001","72.761","0.001","847.89","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H21 N5 O14 S2 Sm2 -","- C34 H21 N5 O14 S2 Sm2 -","- C34 H21 N5 O14 S2 Sm2 -","1","0.5","","Zhang, Yi-Hua; Li, Xia; Song, Shuang; Yang, Hong-Yu; Ma, Dou; Liu, Yi-Heng","Lanthanide coordination frameworks: crystal structure, down- and up-conversion luminescence and white light emission","CrystEngComm","2014","16","36","8390","","10.1039/C4CE00923A","","","0.71073","MoKα","","0.028","0.0253","","","0.0607","0.0624","","","","","","1.038","","","","has coordinates,has disorder","180501","2020-10-21","18:00:00",""
"7217063","10.551","0.002","10.62","0.002","15.094","0.004","74.956","0.018","69.597","0.011","72.234","0.011","1487.2","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H21 Eu N5 O8 S2 -","- C31 H21 Eu N5 O8 S2 -","- C62 H42 Eu2 N10 O16 S4 -","2","1","","Zhang, Yi-Hua; Li, Xia; Song, Shuang; Yang, Hong-Yu; Ma, Dou; Liu, Yi-Heng","Lanthanide coordination frameworks: crystal structure, down- and up-conversion luminescence and white light emission","CrystEngComm","2014","16","36","8390","","10.1039/C4CE00923A","","","0.71073","MoKα","","0.0879","0.0568","","","0.128","0.1412","","","","","","1.083","","","","has coordinates,has disorder","180501","2020-10-21","18:00:00",""
"7217064","10.544","0.0014","10.5785","0.0015","15.068","0.002","92.469","0.003","110.42","0.002","107.942","0.003","1476.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H21 Gd N5 O8 S2 -","- C31 H21 Gd N5 O8 S2 -","- C62 H42 Gd2 N10 O16 S4 -","2","1","","Zhang, Yi-Hua; Li, Xia; Song, Shuang; Yang, Hong-Yu; Ma, Dou; Liu, Yi-Heng","Lanthanide coordination frameworks: crystal structure, down- and up-conversion luminescence and white light emission","CrystEngComm","2014","16","36","8390","","10.1039/C4CE00923A","","","0.71073","MoKα","","0.0827","0.0568","","","0.1091","0.1215","","","","","","1.012","","","","has coordinates,has disorder","180501","2020-10-21","18:00:00",""
"7217065","10.5381","0.0014","10.5712","0.0013","15.041","0.002","75.114","0.004","69.497","0.002","72.006","0.002","1471.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H21 N5 O8 S2 Tb -","- C31 H21 N5 O8 S2 Tb -","- C62 H42 N10 O16 S4 Tb2 -","2","1","","Zhang, Yi-Hua; Li, Xia; Song, Shuang; Yang, Hong-Yu; Ma, Dou; Liu, Yi-Heng","Lanthanide coordination frameworks: crystal structure, down- and up-conversion luminescence and white light emission","CrystEngComm","2014","16","36","8390","","10.1039/C4CE00923A","","","0.71073","MoKα","","0.0875","0.0583","","","0.1155","0.1308","","","","","","0.999","","","","has coordinates,has disorder","180501","2020-10-21","18:00:00",""
"7217066","10.542","0.003","10.561","0.003","14.961","0.004","75.527","0.006","69.711","0.006","71.721","0.006","1464.7","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H21 Er N5 O8 S2 -","- C31 H21 Er N5 O8 S2 -","- C62 H42 Er2 N10 O16 S4 -","2","1","","Zhang, Yi-Hua; Li, Xia; Song, Shuang; Yang, Hong-Yu; Ma, Dou; Liu, Yi-Heng","Lanthanide coordination frameworks: crystal structure, down- and up-conversion luminescence and white light emission","CrystEngComm","2014","16","36","8390","","10.1039/C4CE00923A","","","0.71073","MoKα","","0.1437","0.0818","","","0.1494","0.1837","","","","","","0.956","","","","has coordinates,has disorder","180501","2020-10-21","18:00:00",""
"7217067","10.5522","0.0009","10.5726","0.001","14.9134","0.0013","75.774","0.002","69.835","0.001","71.559","0.001","1464.1","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H21 N5 O8 S2 Yb -","- C31 H21 N5 O8 S2 Yb -","- C62 H42 N10 O16 S4 Yb2 -","2","1","","Zhang, Yi-Hua; Li, Xia; Song, Shuang; Yang, Hong-Yu; Ma, Dou; Liu, Yi-Heng","Lanthanide coordination frameworks: crystal structure, down- and up-conversion luminescence and white light emission","CrystEngComm","2014","16","36","8390","","10.1039/C4CE00923A","","","0.71073","MoKα","","0.0393","0.0333","","","0.0811","0.0849","","","","","","0.98","","","","has coordinates,has disorder","180501","2020-10-21","18:00:00",""
"7217068","9.2918","0.0008","20.1508","0.0017","25.42","0.002","90","","90","","90","","4759.6","0.7","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H54 Cl2 O2 P2 Pd -","- C58 H54 Cl2 O2 P2 Pd -","- C232 H216 Cl8 O8 P8 Pd4 -","4","1","","Wang, Hui; Hu, Ruo Xin; Pang, Xue; Gao, Hai Yue; Jin, Wei Jun","The phosphorescent co-crystals of 1,4-diiodotetrafluorobenzene and bent 3-ring-N-heterocyclic hydrocarbons by C‒I⋯N and C‒I⋯π halogen bonds","CrystEngComm","2014","16","34","7942","","10.1039/C4CE00813H","","","0.71073","MoKα","","0.0297","0.0258","","","0.0599","0.0621","","","","","","1.015","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217069","9.7484","0.0007","19.9815","0.0015","25.907","0.0019","90","","90","","90","","5046.4","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C59 H55 Cl O2 P2 Pd -","- C59 H55 Cl O2 P2 Pd -","- C236 H220 Cl4 O8 P8 Pd4 -","4","1","","Wang, Hui; Hu, Ruo Xin; Pang, Xue; Gao, Hai Yue; Jin, Wei Jun","The phosphorescent co-crystals of 1,4-diiodotetrafluorobenzene and bent 3-ring-N-heterocyclic hydrocarbons by C‒I⋯N and C‒I⋯π halogen bonds","CrystEngComm","2014","16","34","7942","","10.1039/C4CE00813H","","","0.71073","MoKα","","0.0349","0.0311","","","0.0744","0.0761","","","","","","1.036","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217070","11.3703","0.0005","18.4887","0.001","13.6456","0.0008","90","","113.629","0.003","90","","2628.1","0.2","143","2","416","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H55 Cl O8 P2 Pd -","- C56 H55 Cl O8 P2 Pd -","- C112 H110 Cl2 O16 P4 Pd2 -","2","1","","Wang, Hui; Hu, Ruo Xin; Pang, Xue; Gao, Hai Yue; Jin, Wei Jun","The phosphorescent co-crystals of 1,4-diiodotetrafluorobenzene and bent 3-ring-N-heterocyclic hydrocarbons by C‒I⋯N and C‒I⋯π halogen bonds","CrystEngComm","2014","16","34","7942","","10.1039/C4CE00813H","","","1.54178","CuKα","","0.1837","0.0896","","","0.2273","0.2672","","","","","","0.932","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217071","25.8844","0.0002","14.2964","0.0002","14.2795","0.0002","90","","122.98","0.01","90","","4432.7","0.5","298","2","298","","","","100","","","","","4","C 1 2 1","C 2y","5","Rifampicin","(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-pentahydroxy-11- methoxy-3,7,12,14,16,18,22-heptamethyl-26-{(E)-[(4-methylpiperazin-1-yl)imino] methyl}-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1 (28),2,4,9,19,21,25(29),26-octaen-13-yl acetate","","- C43 H58 N4 O12 -","- C43 H58 N4 O12 -","- C172 H232 N16 O48 -","4","1","","Ibiapino, Amanda Laura; Seiceira, Rafael Cardoso; Pitaluga, Altivo; Trindade, Antonio Carlos; Ferreira, Fabio Furlan","Structural characterization of form I of anhydrous rifampicin","CrystEngComm","2014","16","36","8555","","10.1039/C4CE01157K","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.00847","0.01984","1.767","","","","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217074","21.9035","0.0006","14.5496","0.0004","27.9653","0.0006","90","","90","","90","","8912.2","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H41 Cd3 N3 O21 -","- C42 H41 Cd3 N3 O21 -","- C336 H328 Cd24 N24 O168 -","8","1","","Yang, De-Liang; Zhang, Xin; Yao, Yuan-Gen; Zhang, Jian","Structure versatility of coordination polymers constructed from a semirigid ligand and polynuclear metal clusters","CrystEngComm","2014","16","34","8047","","10.1039/C4CE01032A","","","0.71073","MoKα","","0.0709","0.0492","","","0.1372","0.1608","","","","","","0.999","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217075","12.0047","0.0007","10.9563","0.0007","21.0767","0.0015","90","","106.389","0.007","90","","2659.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Ca Cd N2 O11 -","- C24 H24 Ca Cd N2 O11 -","- C96 H96 Ca4 Cd4 N8 O44 -","4","1","","Yang, De-Liang; Zhang, Xin; Yao, Yuan-Gen; Zhang, Jian","Structure versatility of coordination polymers constructed from a semirigid ligand and polynuclear metal clusters","CrystEngComm","2014","16","34","8047","","10.1039/C4CE01032A","","","0.71073","MoKα","","0.0465","0.0362","","","0.0804","0.0868","","","","","","1.099","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217076","9.9912","0.0003","21.7677","0.0009","10.2461","0.0004","90","","91.975","0.003","90","","2227.05","0.14","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 Ca Cd N O12 -","- C20 H19 Ca Cd N O12 -","- C80 H76 Ca4 Cd4 N4 O48 -","4","1","","Yang, De-Liang; Zhang, Xin; Yao, Yuan-Gen; Zhang, Jian","Structure versatility of coordination polymers constructed from a semirigid ligand and polynuclear metal clusters","CrystEngComm","2014","16","34","8047","","10.1039/C4CE01032A","","","0.71073","MoKα","","0.0407","0.0322","","","0.068","0.0728","","","","","","1.05","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217077","10.2726","0.0004","13.3346","0.0005","15.2745","0.0006","100.554","0.004","107.524","0.004","99.341","0.003","1907.96","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Ba2 N O22 Zn0 -","- C36 H28 Ba2 N O22 -","- C72 H56 Ba4 N2 O44 -","2","1","","Yang, De-Liang; Zhang, Xin; Yao, Yuan-Gen; Zhang, Jian","Structure versatility of coordination polymers constructed from a semirigid ligand and polynuclear metal clusters","CrystEngComm","2014","16","34","8047","","10.1039/C4CE01032A","","","0.71073","MoKα","","0.0418","0.0328","","","0.0769","0.0824","","","","","","1.03","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217078","10.2724","0.0006","13.3126","0.0007","15.2949","0.001","100.307","0.005","107.572","0.006","100.414","0.005","1899.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H28 Ba2 N O22 -","- C35 H28 Ba2 N O22 -","- C70 H56 Ba4 N2 O44 -","2","1","","Yang, De-Liang; Zhang, Xin; Yao, Yuan-Gen; Zhang, Jian","Structure versatility of coordination polymers constructed from a semirigid ligand and polynuclear metal clusters","CrystEngComm","2014","16","34","8047","","10.1039/C4CE01032A","","","0.71073","MoKα","","0.0672","0.0447","","","0.0941","0.1102","","","","","","1.006","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217081","9.8077","0.0009","5.595","0.0005","16.0481","0.0015","90","","91.848","0.002","90","","880.17","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O8 P2 U -","- C14 H12 O8 P2 U -","- C28 H24 O16 P4 U2 -","2","0.5","","Yang, Weiting; Wang, Hao; Du, Zi-Yi; Tian, Wan-Guo; Sun, Zhong-Ming","Isolation of a series of uranium organophosphinates","CrystEngComm","2014","16","34","8073","","10.1039/C4CE01172D","","","0.71073","MoKα","","0.0774","0.0378","","","0.0777","0.0944","","","","","","0.962","","","","has coordinates,has disorder","180501","2020-10-21","18:00:00",""
"7217082","9.382","0.002","11.204","0.003","12.243","0.003","67.981","0.006","85.397","0.006","71.885","0.006","1133","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H42 N4 O16 P4 U2 -","- C40 H42 N4 O16 P4 U2 -","- C40 H42 N4 O16 P4 U2 -","1","0.5","","Yang, Weiting; Wang, Hao; Du, Zi-Yi; Tian, Wan-Guo; Sun, Zhong-Ming","Isolation of a series of uranium organophosphinates","CrystEngComm","2014","16","34","8073","","10.1039/C4CE01172D","","","0.71073","MoKα","","0.0626","0.0469","","","0.0802","0.0872","","","","","","0.983","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217083","10.5513","0.0007","17.4551","0.0011","11.0376","0.0007","90","","118.459","0.001","90","","1787.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C14 H13 N2 O7 P U -","- C14 H11 N2 O7 P U -","- C56 H44 N8 O28 P4 U4 -","4","1","","Yang, Weiting; Wang, Hao; Du, Zi-Yi; Tian, Wan-Guo; Sun, Zhong-Ming","Isolation of a series of uranium organophosphinates","CrystEngComm","2014","16","34","8073","","10.1039/C4CE01172D","","","0.71073","MoKα","","0.0514","0.0354","","","0.0966","0.1065","","","","","","1.056","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217084","21.949","0.006","17.918","0.004","24.002","0.006","90","","113.989","0.004","90","","8624","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H74 N4 O34 P6 U4 -","- C76 H74 N4 O34 P6 U4 -","- C304 H296 N16 O136 P24 U16 -","4","1","","Yang, Weiting; Wang, Hao; Du, Zi-Yi; Tian, Wan-Guo; Sun, Zhong-Ming","Isolation of a series of uranium organophosphinates","CrystEngComm","2014","16","34","8073","","10.1039/C4CE01172D","","","0.71073","MoKα","","0.1119","0.0515","","","0.114","0.1398","","","","","","0.954","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217085","8.946","0.006","11.706","0.007","13.404","0.008","87.195","0.01","76.239","0.012","85.236","0.012","1358.1","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H22 N2 O7 P U -","- C27 H22 N2 O7 P U -","- C54 H44 N4 O14 P2 U2 -","2","1","","Yang, Weiting; Wang, Hao; Du, Zi-Yi; Tian, Wan-Guo; Sun, Zhong-Ming","Isolation of a series of uranium organophosphinates","CrystEngComm","2014","16","34","8073","","10.1039/C4CE01172D","","","0.71073","MoKα","","0.0703","0.0515","","","0.1123","0.1217","","","","","","1.016","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217090","25.3903","0.0015","14.1304","0.0006","9.1996","0.0006","90","","99.658","0.005","90","","3253.8","0.3","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H9 Br Hg I2 N2 O -","- C12 H9 Br Hg I2 N2 O -","- C96 H72 Br8 Hg8 I16 N16 O8 -","8","1","","Khavasi, Hamid Reza; Esmaeili, Maryam","Temperature-dependent halogen⋯halogen synthon crossover in coordination compounds","CrystEngComm","2014","16","36","8479","","10.1039/C4CE00692E","","","0.71073","MoKα","","0.0862","0.064","","","0.1406","0.1517","","","","","","1.023","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217091","24.3489","0.0018","4.92","0.0006","28.395","0.002","90","","125.751","0.004","90","","2760.6","0.5","294","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Br2 Hg I2 N4 O2 -","- C24 H18 Br2 Hg I2 N4 O2 -","- C96 H72 Br8 Hg4 I8 N16 O8 -","4","0.5","","Khavasi, Hamid Reza; Esmaeili, Maryam","Temperature-dependent halogen⋯halogen synthon crossover in coordination compounds","CrystEngComm","2014","16","36","8479","","10.1039/C4CE00692E","","","0.71073","MoKα","","0.0772","0.0489","","","0.1203","0.128","","","","","","0.885","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217092","37.962","0.009","21.391","0.004","24.996","0.004","90","","119.84","0.004","90","","17607","6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 Cu N12 O41 P W12 -","- C36 H34 Cu N12 O41 P W12 -","- C288 H272 Cu8 N96 O328 P8 W96 -","8","1","","Luo, Yu-Hui; Lu, Xin-Xin; Zhang, Hong","An ultrastable, flexible POM-based coordination polymer with redox properties","CrystEngComm","2014","16","34","7865","","10.1039/C4CE01123F","","","0.71073","MoKα","","0.1202","0.0763","","","0.2168","0.2394","","","","","","1.028","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217115","14.333","0.006","21.282","0.008","17.076","0.007","90","","91.043","0.007","90","","5208","4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 Br8 N8 O10 Zn2 -","- C40 H40 Br8 N8 O10 Zn2 -","- C160 H160 Br32 N32 O40 Zn8 -","4","1","","Yan, Zhi-Hao; Han, Lu-Lu; Zhao, Ya-Qin; Li, Xiao-Yu; Wang, Xing-Po; Wang, Lei; Sun, Di","Three mixed-ligand coordination networks modulated by flexible N-donor ligands: syntheses, topological structures, and temperature-sensitive luminescence properties","CrystEngComm","2014","16","37","8747","","10.1039/C4CE01270D","","","0.71073","MoKα","","0.1736","0.1","","","0.2657","0.3123","","","","","","1.04","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217116","8.491","0.011","9.107","0.013","9.21","0.012","71.18","0.02","84.23","0.02","65.21","0.018","611.5","1.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 Br4 Cd N6 O8 -","- C16 H20 Br4 Cd N6 O8 -","- C16 H20 Br4 Cd N6 O8 -","1","0.5","","Yan, Zhi-Hao; Han, Lu-Lu; Zhao, Ya-Qin; Li, Xiao-Yu; Wang, Xing-Po; Wang, Lei; Sun, Di","Three mixed-ligand coordination networks modulated by flexible N-donor ligands: syntheses, topological structures, and temperature-sensitive luminescence properties","CrystEngComm","2014","16","37","8747","","10.1039/C4CE01270D","","","0.71073","MoKα","","0.0343","0.0297","","","0.075","0.077","","","","","","1.053","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217117","9.6238","0.0008","17.24","0.0014","12.7886","0.001","90","","91.914","0.002","90","","2120.6","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Br4 N6 O4 Zn -","- C15 H10 Br4 N6 O4 Zn -","- C60 H40 Br16 N24 O16 Zn4 -","4","1","","Yan, Zhi-Hao; Han, Lu-Lu; Zhao, Ya-Qin; Li, Xiao-Yu; Wang, Xing-Po; Wang, Lei; Sun, Di","Three mixed-ligand coordination networks modulated by flexible N-donor ligands: syntheses, topological structures, and temperature-sensitive luminescence properties","CrystEngComm","2014","16","37","8747","","10.1039/C4CE01270D","","","0.71073","MoKα","","0.0618","0.0341","","","0.0683","0.0773","","","","","","0.955","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217118","10.271","0.005","18.615","0.003","10.814","0.005","90","","105.695","0.005","90","","1990.5","1.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Co N2 O6 -","- C22 H16 Co N2 O6 -","- C88 H64 Co4 N8 O24 -","4","1","","Ahmad, Musheer; Das, Raja; Mrozinski, Jerzy; Bienko, Alina; Poddar, Pankaj; Bharadwaj, Parimal K.","Interchain relay of antiferromagnetic ordering in 1D Co(ii) coordination polymers via π‒π interactions","CrystEngComm","2014","16","36","8523","","10.1039/C4CE01010H","","","0.71073","MoKα","","0.0886","0.0603","","","0.1542","0.1825","","","","","","1.072","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217119","8.515","0.005","12.058","0.005","17.046","0.005","90","","101.675","0.005","90","","1714","1.3","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C20 H12 Co N2 O6 -","- C20 H12 Co N2 O6 -","- C80 H48 Co4 N8 O24 -","4","1","","Ahmad, Musheer; Das, Raja; Mrozinski, Jerzy; Bienko, Alina; Poddar, Pankaj; Bharadwaj, Parimal K.","Interchain relay of antiferromagnetic ordering in 1D Co(ii) coordination polymers via π‒π interactions","CrystEngComm","2014","16","36","8523","","10.1039/C4CE01010H","","","0.71073","MoKα","","0.0641","0.0465","","","0.1229","0.1608","","","","","","1.163","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217120","7.286","0.008","12.218","0.014","24.76","0.03","90","","90.484","0.014","90","","2204","4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H42 N8 Ni2 O15 S2 -","- C44 H42 N8 Ni2 O15 S2 -","- C88 H84 N16 Ni4 O30 S4 -","2","0.5","","Gao, Xiao Lin; Gong, Yun; Zhang, Pan; Yang, Yong Xi; Meng, Jiang Ping; Zhang, Miao Miao; Yin, Jun Li; Lin, Jian Hua","Metal(ii) complexes based on 4-(2,6-di(pyridin-4-yl)pyridin-4-yl)benzonitrile: structures and electrocatalysis in hydrogen evolution reaction from water","CrystEngComm","2014","16","36","8492","","10.1039/C4CE01259C","","","0.71073","MoKα","","0.0831","0.0468","","","0.1052","0.1279","","","","","","1.035","","","","has coordinates,has disorder","180502","2020-10-21","18:00:00",""
"7217121","14.616","0.0014","12.1893","0.0011","25.892","0.003","90","","106.274","0.002","90","","4428.1","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Co2 N8 O15 S2 -","- C44 H42 Co2 N8 O15 S2 -","- C176 H168 Co8 N32 O60 S8 -","4","1","","Gao, Xiao Lin; Gong, Yun; Zhang, Pan; Yang, Yong Xi; Meng, Jiang Ping; Zhang, Miao Miao; Yin, Jun Li; Lin, Jian Hua","Metal(ii) complexes based on 4-(2,6-di(pyridin-4-yl)pyridin-4-yl)benzonitrile: structures and electrocatalysis in hydrogen evolution reaction from water","CrystEngComm","2014","16","36","8492","","10.1039/C4CE01259C","","","0.71073","MoKα","","0.098","0.0553","","","0.1146","0.1347","","","","","","1.054","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217122","14.8543","0.0014","12.3149","0.0011","26.163","0.003","90","","106.126","0.002","90","","4597.7","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H42 Cd2 N8 O15 S2 -","- C44 H42 Cd2 N8 O15 S2 -","- C176 H168 Cd8 N32 O60 S8 -","4","1","","Gao, Xiao Lin; Gong, Yun; Zhang, Pan; Yang, Yong Xi; Meng, Jiang Ping; Zhang, Miao Miao; Yin, Jun Li; Lin, Jian Hua","Metal(ii) complexes based on 4-(2,6-di(pyridin-4-yl)pyridin-4-yl)benzonitrile: structures and electrocatalysis in hydrogen evolution reaction from water","CrystEngComm","2014","16","36","8492","","10.1039/C4CE01259C","","","0.71073","MoKα","","0.1198","0.0595","","","0.1384","0.1871","","","","","","1.098","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217123","10.944","0.003","13.623","0.004","13.884","0.004","64.73","0.004","73.057","0.005","69.711","0.004","1730.5","0.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H44 Cu4 N24 Na O41 P W12 -","- C28 H44 Cu4 N24 Na O41 P W12 -","- C28 H44 Cu4 N24 Na O41 P W12 -","1","0.5","","Zhang, He; Yu, Kai; Gao, Song; Wang, Chun-Mei; Wang, Chun-Xiao; Wang, Hai-Yan; Zhou, Bai-Bin","Two unusual organic‒inorganic hybrid 3-D frameworks based on Keggin-type heteropoly blue anion-chains, 40-membered macrocycles, and sodium linker units","CrystEngComm","2014","16","36","8449","","10.1039/C4CE01029A","","","0.71073","MoKα","","0.0512","0.0661","","","0.0987","0.1032","","","","","","1.176","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217124","10.9694","0.0011","13.6637","0.0014","13.9341","0.0014","64.8306","0.0013","73.1694","0.0015","69.7887","0.0015","1748.6","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H44 Ag4 N24 Na O41 P W12 -","- C28 H44 Ag4 N24 Na O41 P W12 -","- C28 H44 Ag4 N24 Na O41 P W12 -","1","0.5","","Zhang, He; Yu, Kai; Gao, Song; Wang, Chun-Mei; Wang, Chun-Xiao; Wang, Hai-Yan; Zhou, Bai-Bin","Two unusual organic‒inorganic hybrid 3-D frameworks based on Keggin-type heteropoly blue anion-chains, 40-membered macrocycles, and sodium linker units","CrystEngComm","2014","16","36","8449","","10.1039/C4CE01029A","","","0.71","MoKα","","0.0513","0.0659","","","0.0942","0.1076","","","","","","1.167","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217125","7.7124","0.0004","8.9272","0.0004","14.9003","0.0007","90","","97.869","0.003","90","","1016.23","0.08","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C44 H48 N8 O8 -","4","1","","Majhi, Debashis; Das, Sudhir Kumar; Sahu, Prabhat Kumar; Pratik, Saied Md; Kumar, Arun; Sarkar, Moloy","Probing the aggregation behavior of 4-aminophthalimide and 4-(N,N-dimethyl) amino-N-methylphthalimide: a combined photophysical, crystallographic, microscopic and theoretical (DFT) study.","Physical chemistry chemical physics : PCCP","2014","16","34","18349","","10.1039/c4cp01912a","","","0.71073","MoKα","","0.0712","0.0531","","","0.1471","0.1591","","","","","","1.042","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217126","8.9158","0.0003","11.144","0.0004","14.0968","0.0006","83.256","0.002","72.321","0.002","84.057","0.002","1321.83","0.09","110","2","110","2","","","","","","","","6","P 1","P 1","1","","","","- C49 H27 I4 Mn N6 O2 -","- C49 H27 I4 Mn N6 O2 -","- C49 H27 I4 Mn N6 O2 -","1","1","","Nandi, Goutam; Goldberg, Israel","The effects of halogen bonding and molecular design on the self-assembly of coordination polymers of Mn(iii)-tetraarylporphyrin with axial bridging ligands","CrystEngComm","2014","16","36","8327","","10.1039/C4CE01125B","","","0.71073","MoKα","","0.05","0.0394","","","0.0972","0.1018","","","","","","1.053","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217127","34.108","0.002","9.5282","0.0006","19.5702","0.0013","90","","116.626","0.002","90","","5685.6","0.6","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H28 I4 Mn N5 O2 -","- C50 H28 I4 Mn N5 O2 -","- C200 H112 I16 Mn4 N20 O8 -","4","0.5","","Nandi, Goutam; Goldberg, Israel","The effects of halogen bonding and molecular design on the self-assembly of coordination polymers of Mn(iii)-tetraarylporphyrin with axial bridging ligands","CrystEngComm","2014","16","36","8327","","10.1039/C4CE01125B","","","0.71073","MoKα","","0.0373","0.0328","","","0.1006","0.1039","","","","","","0.92","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217128","8.3814","0.0002","10.2345","0.0002","13.8672","0.0009","90","","105.897","0.008","90","","1144.03","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8-acety1-1-dimethylaminonaphthalene, 7","","- C14 H15 N O -","- C14 H15 N O -","- C56 H60 N4 O4 -","4","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N–C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.71075","MoKα","","0.0419","0.0378","","","0.0974","0.0998","","","","","","1.071","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217129","9.37","0.02","9.34","0.02","15.72","0.04","90","","90","","90","","1376","5","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-dimethylamino-8-isopropylnaphthalene 8","","- C16 H19 N O -","- C16 H19 N O -","- C64 H76 N4 O4 -","4","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N–C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.6889","","","0.0492","0.0476","","","0.1335","0.1347","","","","","","1.214","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217130","10.4848","0.0006","12.0004","0.0007","12.0396","0.0008","73.685","0.005","85.342","0.006","83.541","0.006","1442.66","0.16","100","2","100","","","","","","","","","4","P -1","-P 1","2","","1-dimethylamino-8-(2,2-dimethylpropanoyl)naphthalene 9","","- C17 H21 N O -","- C17 H21 N O -","- C68 H84 N4 O4 -","4","2","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N–C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.71075","MoKα","","0.0484","0.0393","","","0.1026","0.1059","","","","","","1.106","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217131","9.0485","0.0004","11.967","0.0005","14.4409","0.0006","90","","107.512","0.005","90","","1491.24","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8-Benzoyl-1-dimethylaminonaphthalene, 10","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N–C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.71073","MoKα","","0.0776","0.0559","","","0.1052","0.1138","","","","","","1.075","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217132","12.5626","0.0008","7.4932","0.0004","13.1887","0.0009","90","","98.319","0.006","90","","1228.44","0.13","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-dimethylamino-8-trifluoroacetylnaphthalene 11","","- C14 H12 F3 N O -","- C14 H12 F3 N O -","- C56 H48 F12 N4 O4 -","4","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N–C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.71073","MoKα","","0.0806","0.0517","","","0.0884","0.1017","","","","","","1.046","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217133","7.2319","0.0013","8.6574","0.0013","19.901","0.003","90","","90","","90","","1246","0.3","294","1","294","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-Dimethylamino-4-trifluoroacetylnaphthalene 13","","- C14 H12 F3 N O -","- C14 H12 F3 N O -","- C56 H48 F12 N4 O4 -","4","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N–C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.71073","","","0.092","0.0602","","","0.114","0.1298","","","","","","1.067","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217134","11.3796","0.0003","10.5436","0.0002","11.0577","0.0003","90","","97.604","0.002","90","","1315.06","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-1,1,2-trimethyl-1,2-dihydrobenzo[cd]indol-1-ium chloride monohydrate, 7-H.Cl.H2O","","- C14 H18 Cl N O2 -","- C14 H18 Cl N O2 -","- C56 H72 Cl4 N4 O8 -","4","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N–C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.7107","MoKα","","0.0529","0.0417","","","0.0963","0.1043","","","","","","1.047","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217135","13.8475","0.001","7.7466","0.0004","15.6785","0.0009","90","","106.669","0.006","90","","1611.17","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-2-methyl-1,1-dimethyl-1,2-dihydrobenzo[cd]indol-1-ium triflate at 150K 7-H.triflate","","- C15 H16 F3 N O4 S -","- C15 H16 F3 N O4 S -","- C60 H64 F12 N4 O16 S4 -","4","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N–C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.7107","MoKα","","0.1289","0.1027","","","0.211","0.2254","","","","","","1.235","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217136","6.2039","0.0002","10.6675","0.0003","23.5777","0.0008","90","","97.541","0.003","90","","1546.88","0.09","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-Hydroxy-2-isopropyl-1,1-dimethyl-1,2-dihydrobenzo[cd]indol-1-ium tetrafluoroborate, 8-H.BF4","","- C16 H20 B F4 N O -","- C16 H20 B F4 N O -","- C64 H80 B4 F16 N4 O4 -","4","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N–C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.71073","MoKα","","0.0777","0.0582","","","0.1321","0.1424","","","","","","1.047","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217137","21.072","0.004","11.828","0.003","16.397","0.004","90","","112.765","0.014","90","","3768.4","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-dimethylammonium-8-(2,2-dimethylpropanoyl)naphthalene triflate 9-H.triflate","","- C18 H22 F3 N O4 S -","- C18 H22 F3 N O4 S -","- C144 H176 F24 N8 O32 S8 -","8","2","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N–C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.71075","MoKα","","0.0476","0.0419","","","0.0846","0.0882","","","","","","1.036","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217138","13.6452","0.0005","13.5547","0.0004","18.2545","0.0008","90","","90","","90","","3376.3","0.2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","N,N-Dimethyl-N-(8-benzoylnaphth-1-yl)ammonium tetrafluoroborate, 10-H.BF4","","- C19 H18 B F4 N O -","- C19 H18 B F4 N O -","- C152 H144 B8 F32 N8 O8 -","8","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N–C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.71073","MoKα","","0.1055","0.0767","","","0.1518","0.166","","","","","","1.114","","","","has coordinates,has disorder","301864","2025-08-22","15:14:36",""
"7217139","10.3782","0.0007","17.4219","0.0008","9.9913","0.0004","90","","103.321","0.007","90","","1757.9","0.17","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-2-trifluoromethyl-1,1-dimethyl-1,2-dihydrobenzo[cd]indol-1-ium triflate monohydrate 11-H.triflate.H2O","","- C15 H15 F6 N O5 S -","- C15 H15 F6 N O5 S -","- C60 H60 F24 N4 O20 S4 -","4","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N–C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.71075","MoKα","","0.0395","0.0322","","","0.0753","0.0783","","","","","","1.057","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217140","26.3596","0.0011","5.8523","0.0003","32.3137","0.0011","90","","105.987","0.004","90","","4792.1","0.4","240","0.1","240","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 F2 N8 O11 S2 -","- C16 H20 F2 N8 O11 S2 -","- C128 H160 F16 N64 O88 S16 -","8","1","","Wang, Lin; Wen, Xiaonan; Li, Ping; Wang, Jianming; Yang, Ping; Zhang, Hailu; Deng, Zongwu","2 : 1 5-Fluorocytosine‒acesulfame CAB cocrystal and 1 : 1 5-fluorocytosine‒acesulfame salt hydrate with enhanced stability against hydration","CrystEngComm","2014","16","36","8537","","10.1039/C4CE01150C","","","0.71073","MoKα","","0.0672","0.0451","","","0.0978","0.1066","","","","","","1.01","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217141","7.2613","0.0002","10.5289","0.0003","11.6662","0.0004","66.818","0.0011","82.022","0.0012","78.567","0.0012","801.81","0.04","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H13 F2 N7 O6 S -","- C12 H13 F2 N7 O6 S -","- C24 H26 F4 N14 O12 S2 -","2","1","","Wang, Lin; Wen, Xiaonan; Li, Ping; Wang, Jianming; Yang, Ping; Zhang, Hailu; Deng, Zongwu","2 : 1 5-Fluorocytosine–acesulfame CAB cocrystal and 1 : 1 5-fluorocytosine–acesulfame salt hydrate with enhanced stability against hydration","CrystEngComm","2014","16","36","8537","","10.1039/C4CE01150C","","","0.71073","MoKα","","0.0335","0.0305","","","0.084","0.0866","","","","","","1.057","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217146","5.809","0.0007","20.942","0.003","6.6746","0.0008","90","","107.509","0.002","90","","774.36","0.17","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N,N'</i>-(1,4-phenylenedimethylidyne)<i>bis</i>[2-fluorobenzenamine]","","- C20 H14 F2 N2 -","- C20 H14 F2 N2 -","- C40 H28 F4 N4 -","2","0.5","","Ojala, William H.; Balidemaj, Barjeta; Johnson, Jenna A.; Larson, Sarah N.; Ojala, Charles R.","Molecular symmetry and fluorine-containing supramolecular synthons as structure-differentiating agents in some “bridge-flipped” isomeric bis-benzylideneanilines","CrystEngComm","2014","16","31","7226","","10.1039/C3CE42540A","","","0.71073","MoKα","","0.0591","0.0389","","","0.0876","0.0951","","","","","","1.047","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217147","9.4317","0.0014","3.952","0.0006","20.303","0.003","90","","94.204","0.002","90","","754.7","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N,N'</i>-(1,4-phenylenedimethylidyne)<i>bis</i>[3-fluorobenzenamine]","","- C20 H14 F2 N2 -","- C20 H14 F2 N2 -","- C40 H28 F4 N4 -","2","0.5","","Ojala, William H.; Balidemaj, Barjeta; Johnson, Jenna A.; Larson, Sarah N.; Ojala, Charles R.","Molecular symmetry and fluorine-containing supramolecular synthons as structure-differentiating agents in some “bridge-flipped” isomeric bis-benzylideneanilines","CrystEngComm","2014","16","31","7226","","10.1039/C3CE42540A","","","0.71073","MoKα","","0.0611","0.0539","","","0.1382","0.1416","","","","","","1.139","","","","has coordinates,has disorder","301864","2025-08-22","15:14:36",""
"7217148","7.468","0.0011","5.6986","0.0008","36.149","0.005","90","","95.239","0.002","90","","1532","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N,N'</i>-(1,4-phenylenedimethylidyne)<i>bis</i>[4-fluorobenzenamine]","","- C20 H14 F2 N2 -","- C20 H14 F2 N2 -","- C80 H56 F8 N8 -","4","1","","Ojala, William H.; Balidemaj, Barjeta; Johnson, Jenna A.; Larson, Sarah N.; Ojala, Charles R.","Molecular symmetry and fluorine-containing supramolecular synthons as structure-differentiating agents in some “bridge-flipped” isomeric bis-benzylideneanilines","CrystEngComm","2014","16","31","7226","","10.1039/C3CE42540A","","","0.71073","MoKα","","0.054","0.0411","","","0.1154","0.1243","","","","","","1.055","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217149","6.9517","0.0006","11.5713","0.001","10.0545","0.0008","90","","104.618","0.001","90","","782.61","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N,N'</i>-<i>bis</i>[(2-fluorophenyl)methylene]-1,4-benzenediamine","","- C20 H14 F2 N2 -","- C20 H14 F2 N2 -","- C40 H28 F4 N4 -","2","0.5","","Ojala, William H.; Balidemaj, Barjeta; Johnson, Jenna A.; Larson, Sarah N.; Ojala, Charles R.","Molecular symmetry and fluorine-containing supramolecular synthons as structure-differentiating agents in some “bridge-flipped” isomeric bis-benzylideneanilines","CrystEngComm","2014","16","31","7226","","10.1039/C3CE42540A","","","0.71073","MoKα","","0.0498","0.0387","","","0.0925","0.0994","","","","","","1.074","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217150","17.2826","0.0017","6.1796","0.0006","7.0765","0.0007","90","","92.71","0.001","90","","754.92","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N,N'</i>-<i>bis</i>[(3-fluorophenyl)methylene]-1,4-benzenediamine","","- C20 H14 F2 N2 -","- C20 H14 F2 N2 -","- C40 H28 F4 N4 -","2","0.5","","Ojala, William H.; Balidemaj, Barjeta; Johnson, Jenna A.; Larson, Sarah N.; Ojala, Charles R.","Molecular symmetry and fluorine-containing supramolecular synthons as structure-differentiating agents in some “bridge-flipped” isomeric bis-benzylideneanilines","CrystEngComm","2014","16","31","7226","","10.1039/C3CE42540A","","","0.71073","MoKα","","0.0453","0.0379","","","0.1027","0.1092","","","","","","1.05","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217151","7.17","0.003","7.181","0.003","9.831","0.004","73.511","0.004","73.892","0.004","89.122","0.004","465.2","0.3","176","2","176","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 As N2 O6 U -","- C4 As N2 O6 U -","- C8 As2 N4 O12 U2 -","2","1","","Wylie, E. M.; Smith, P. A.; Peruski, K. M.; Smith, J. S.; Dustin, M. K.; Burns, P. C.","Effects of ionic liquid media on the cation selectivity of uranyl structural units in five new compounds produced using the ionothermal technique","CrystEngComm","2014","16","31","7236","","10.1039/C4CE00270A","","","0.71073","MoKα","","0.0412","0.0319","","","0.0627","0.0659","","","","","","1.013","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217152","18.86","0.002","18.01","0.002","11.1408","0.0013","90","","90","","90","","3784.2","0.7","174","2","174","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 N4 O23 Se5 U4 -","- C16 N4 O23 Se5 U4 -","- C64 N16 O92 Se20 U16 -","4","0.5","","Wylie, E. M.; Smith, P. A.; Peruski, K. M.; Smith, J. S.; Dustin, M. K.; Burns, P. C.","Effects of ionic liquid media on the cation selectivity of uranyl structural units in five new compounds produced using the ionothermal technique","CrystEngComm","2014","16","31","7236","","10.1039/C4CE00270A","","","0.71073","MoKα","","0.068","0.0499","","","0.1046","0.1103","","","","","","1.149","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217153","9.954","0.007","10.264","0.007","19.566","0.014","90","","101.758","0.01","90","","1957","2","174","2","174","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 N4 O22 P4 U3 -","- C20 N4 O22 P4 U3 -","- C40 N8 O44 P8 U6 -","2","0.5","","Wylie, E. M.; Smith, P. A.; Peruski, K. M.; Smith, J. S.; Dustin, M. K.; Burns, P. C.","Effects of ionic liquid media on the cation selectivity of uranyl structural units in five new compounds produced using the ionothermal technique","CrystEngComm","2014","16","31","7236","","10.1039/C4CE00270A","","","0.71073","MoKα","","0.1448","0.0497","","","0.1014","0.1326","","","","","","0.979","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217154","9.987","0.007","10.251","0.007","20.957","0.014","90","","90","","90","","2146","3","174","2","174","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10 N2 O16 Se3 U2 -","- C10 N2 O16 Se3 U2 -","- C40 N8 O64 Se12 U8 -","4","0.5","","Wylie, E. M.; Smith, P. A.; Peruski, K. M.; Smith, J. S.; Dustin, M. K.; Burns, P. C.","Effects of ionic liquid media on the cation selectivity of uranyl structural units in five new compounds produced using the ionothermal technique","CrystEngComm","2014","16","31","7236","","10.1039/C4CE00270A","","","0.71073","MoKα","","0.0941","0.0647","","","0.1623","0.1784","","","","","","1.033","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217155","9.5152","0.0009","33.144","0.003","9.6569","0.001","90","","93.211","0.001","90","","3040.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 N2 O31 P4 U5 -","- C4 N2 O31 P4 U5 -","- C16 N8 O124 P16 U20 -","4","1","","Wylie, E. M.; Smith, P. A.; Peruski, K. M.; Smith, J. S.; Dustin, M. K.; Burns, P. C.","Effects of ionic liquid media on the cation selectivity of uranyl structural units in five new compounds produced using the ionothermal technique","CrystEngComm","2014","16","31","7236","","10.1039/C4CE00270A","","","0.71073","MoKα","","0.0684","0.045","","","0.1036","0.1163","","","","","","1.015","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217156","38.4736","0.0012","12.0047","0.001","19.0031","0.0016","90","","104.334","0.003","90","","8503.6","1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H62 Cd3 N28 O8 S5 W2 -","- C70 H62 Cd3 N28 O8 S5 W2 -","- C280 H248 Cd12 N112 O32 S20 W8 -","4","0.5","","Yang, Dan; Zhou, Hu; Yuan, Ai-Hua; Li, Yi-Zhi","Sandwich-like octacyanometalate-based cadmium assemblies with the 4,4′-dipyridyl sulfide ligand","CrystEngComm","2014","16","36","8344","","10.1039/C4CE00965G","","","0.71073","MoKα","","0.0464","0.0461","","","0.1163","0.1164","","","","","","1.073","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217157","38.0659","0.0011","11.9553","0.0012","18.9714","0.001","90","","103.936","0.0012","90","","8379.5","1","340","2","340","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H56 Cd3 N28 O5 S5 W2 -","- C70 H56 Cd3 N28 O5 S5 W2 -","- C280 H224 Cd12 N112 O20 S20 W8 -","4","1","","Yang, Dan; Zhou, Hu; Yuan, Ai-Hua; Li, Yi-Zhi","Sandwich-like octacyanometalate-based cadmium assemblies with the 4,4′-dipyridyl sulfide ligand","CrystEngComm","2014","16","36","8344","","10.1039/C4CE00965G","","","0.71073","MoKα","","0.0452","0.0409","","","0.1001","0.1004","","","","","","1.017","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217158","37.855","0.005","11.8053","0.0015","18.885","0.002","90","","104.534","0.002","90","","8169.4","1.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C66 H56 Cd3 N26 O8 S5 W2 -","- C66 H56 Cd3 N26 O8 S5 W2 -","- C264 H224 Cd12 N104 O32 S20 W8 -","4","0.5","","Yang, Dan; Zhou, Hu; Yuan, Ai-Hua; Li, Yi-Zhi","Sandwich-like octacyanometalate-based cadmium assemblies with the 4,4′-dipyridyl sulfide ligand","CrystEngComm","2014","16","36","8344","","10.1039/C4CE00965G","","","0.71073","MoKα","","0.0532","0.0389","","","0.0869","0.0915","","","","","","1.071","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217159","37.571","0.005","11.9361","0.0015","19.196","0.002","90","","104.686","0.002","90","","8327.2","1.8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H60 Cd3 N26 O6 S5 W2 -","- C70 H60 Cd3 N26 O6 S5 W2 -","- C280 H240 Cd12 N104 O24 S20 W8 -","4","0.5","","Yang, Dan; Zhou, Hu; Yuan, Ai-Hua; Li, Yi-Zhi","Sandwich-like octacyanometalate-based cadmium assemblies with the 4,4′-dipyridyl sulfide ligand","CrystEngComm","2014","16","36","8344","","10.1039/C4CE00965G","","","0.71073","MoKα","","0.0354","0.0259","","","0.0628","0.0658","","","","","","1.043","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217171","11.4682","0.0002","8.8977","0.0001","15.6872","0.0002","90","","94.074","0.001","90","","1596.69","0.04","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C29 H33 Cu2 N5 O14 -","- C29 H33 Cu2 N5 O14 -","- C58 H66 Cu4 N10 O28 -","2","1","","Llano-Tomé, Francisco; Bazán, Begoña; Urtiaga, Miren-Karmele; Barandika, Gotzone; Lezama, Luis; Arriortua, María-Isabel","CuII‒PDC-bpe frameworks (PDC = 2,5-pyridinedicarboxylate, bpe = 1,2-di(4-pyridyl)ethylene): mapping of herringbone-type structures","CrystEngComm","2014","16","37","8726","","10.1039/C4CE00989D","","","1.54184","CuKα","","0.0317","0.0296","","","0.0767","0.0782","","","","","","1.041","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217172","11.3256","0.0003","8.9352","0.0002","15.1672","0.0004","90","","93.037","0.003","90","","1532.71","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 Cu N2 O7 -","- C13 H10 Cu N2 O7 -","- C52 H40 Cu4 N8 O28 -","4","1","","Llano-Tomé, Francisco; Bazán, Begoña; Urtiaga, Miren-Karmele; Barandika, Gotzone; Lezama, Luis; Arriortua, María-Isabel","CuII‒PDC-bpe frameworks (PDC = 2,5-pyridinedicarboxylate, bpe = 1,2-di(4-pyridyl)ethylene): mapping of herringbone-type structures","CrystEngComm","2014","16","37","8726","","10.1039/C4CE00989D","","","1.54184","CuKα","","0.0542","0.0481","","","0.1372","0.1445","","","","","","1.014","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217173","15.0263","0.0003","15.0263","0.0003","17.6363","0.0006","90","","90","","120","","3448.6","0.15","296","2","296","2","","","","","","","","5","P 6/m","-P 6","175","[Ba~5~(L)~3~(H~2~O)~6~].25H~2~O.10DMF.2Me~2~NH~2~^+^","","","- C154 H214 Ba5 N12 O65 -","- C120 H72 Ba5 O30 -","- C120 H72 Ba5 O30 -","1","0.0833333","","Chen, Xiao; He, Sha; Chen, Feiyan; Feng, Yunlong","Synthesis, characterization, and luminescence modulation of a rare barium-tetracarboxylate framework with I2O1connectivity","CrystEngComm","2014","16","37","8706","","10.1039/C4CE01059K","","","0.71073","MoKα","","0.0772","0.0504","","","0.1651","0.1785","","","","","","1","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217174","25.926","0.005","13.837","0.003","15.243","0.003","90","","90","","90","","5468.2","1.9","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","{[Mn3L2(pbbm)]CH3CN}n","","","- C63 H45 Mn3 N5 O12 -","- C63 H45 Mn3 N5 O12 -","- C252 H180 Mn12 N20 O48 -","4","1","","Liu, Lu; Lv, Xiaofeng; Zhang, Lin; Guo, Li'an; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Mn(ii) coordination polymers assembled from 8 or 9-connected trinuclear secondary building units: topology analysis and research of magnetic properties","CrystEngComm","2014","16","37","8736","","10.1039/C4CE01184H","","","0.71073","MoKα","","0.1189","0.0885","","","0.1574","0.1754","","","","","","1.001","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217175","8.8451","0.0018","10.334","0.002","11.762","0.002","77.05","0.03","81.5","0.03","75.82","0.03","1010.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","[Mn3L2(CH3CN)2]n","","","- C46 H28 Mn3 N2 O12 -","- C46 H28 Mn3 N2 O12 -","- C46 H28 Mn3 N2 O12 -","1","0.5","","Liu, Lu; Lv, Xiaofeng; Zhang, Lin; Guo, Li'an; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Mn(ii) coordination polymers assembled from 8 or 9-connected trinuclear secondary building units: topology analysis and research of magnetic properties","CrystEngComm","2014","16","37","8736","","10.1039/C4CE01184H","","","0.71073","MoKα","","0.0651","0.051","","","0.121","0.1377","","","","","","0.995","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217180","28.3148","0.0006","15.8506","0.0003","18.226","0.0004","90","","118.09","0.01","90","","7216.4","0.7","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70.5 H95.5 Cl1.5 N4 O7 S2 -","- C70.5 H95.5 Cl1.5 N4 O7 S2 -","- C282 H382 Cl6 N16 O28 S8 -","4","0.5","","Qureshi, Naseem; Yufit, Dimitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding effects in anion binding calixarenes","CrystEngComm","2014","16","36","8413","","10.1039/C4CE01240B","","","0.71073","Mo-Kα","","0.1129","0.0962","","","0.2708","0.2888","","","","","","1.071","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7217181","12.6122","0.0005","30.9836","0.0012","18.6901","0.0007","90","","92.349","0.01","90","","7297.4","0.5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C75.5 H87.5 Cl4.5 N6 O6 -","- C75.5 H87.5 Cl4.5 N6 O6 -","- C302 H350 Cl18 N24 O24 -","4","1","","Qureshi, Naseem; Yufit, Dimitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding effects in anion binding calixarenes","CrystEngComm","2014","16","36","8413","","10.1039/C4CE01240B","","x-ray","0.71073","MoKα","K-L~3~","0.1638","0.0852","","","0.233","0.2683","","","","","","1.004","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7217182","19.5803","0.0005","20.1679","0.0005","18.2981","0.0005","90","","111.82","0.03","90","","6708.1","1.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69 H91 N4 O8 S2 -","- C69 H91 N4 O8 S2 -","- C276 H364 N16 O32 S8 -","4","1","","Qureshi, Naseem; Yufit, Dimitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding effects in anion binding calixarenes","CrystEngComm","2014","16","36","8413","","10.1039/C4CE01240B","","x-ray","0.71073","MoKα","K-L~3~","0.1991","0.0936","","","0.2441","0.2932","","","","","","1.056","","","","has coordinates,has disorder","301864","2025-08-22","15:14:36",""
"7217183","12.1816","0.0003","24.5969","0.0007","26.7522","0.0007","102.923","0.01","95.542","0.01","98.546","0.01","7655.6","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H100 N8 O8 S2 -","- C80 H100 N8 O8 S2 -","- C320 H400 N32 O32 S8 -","4","2","","Qureshi, Naseem; Yufit, Dimitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding effects in anion binding calixarenes","CrystEngComm","2014","16","36","8413","","10.1039/C4CE01240B","","","0.71073","Mo-Kα","","0.1123","0.06","","","0.1502","0.1766","","","","","","1.031","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7217184","21.951","0.004","12.163","0.003","21.185","0.003","90","","91.17","0.01","90","","5655","1.9","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C61 H84 N2 O7 -","- C61 H84 N2 O7 -","- C244 H336 N8 O28 -","4","0.5","","Qureshi, Naseem; Yufit, Dimitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding effects in anion binding calixarenes","CrystEngComm","2014","16","36","8413","","10.1039/C4CE01240B","","","0.71073","Mo-Kα","","0.0784","0.0649","","","0.1746","0.1923","","","","","","1.029","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7217185","10.0646","0.0011","15.6235","0.0017","20.246","0.002","90","","90","","90","","3183.6","0.6","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H36 Cl2 N2 O4 -","- C37 H36 Cl2 N2 O4 -","- C148 H144 Cl8 N8 O16 -","4","1","","Qureshi, Naseem; Yufit, Dimitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding effects in anion binding calixarenes","CrystEngComm","2014","16","36","8413","","10.1039/C4CE01240B","","","0.71073","MoKα","","0.07","0.047","","","0.0789","0.086","","","","","","0.982","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217186","27.48","0.02","20.311","0.015","19.585","0.014","90","","92.34","0.06","90","","10922","14","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","06kma022","","","- C60 H82 N2 O4 -","- C60 H82 N2 O4 -","- C480 H656 N16 O32 -","8","1","","Qureshi, Naseem; Yufit, Dimitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding effects in anion binding calixarenes","CrystEngComm","2014","16","36","8413","","10.1039/C4CE01240B","","","0.71073","MoKα","","0.1672","0.0648","","","0.1364","0.1687","","","","","","0.792","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217187","13.4692","0.0015","15.0701","0.0016","15.3241","0.0016","91.994","0.002","115.71","0.002","109.003","0.002","2592.6","0.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H74 N2 O4 -","- C56 H74 N2 O4 -","- C112 H148 N4 O8 -","2","1","","Qureshi, Naseem; Yufit, Dimitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding effects in anion binding calixarenes","CrystEngComm","2014","16","36","8413","","10.1039/C4CE01240B","","","0.71073","MoKα","","0.1334","0.0713","","","0.1566","0.1845","","","","","","1.016","","","","has coordinates,has disorder","301864","2025-08-22","15:14:36",""
"7217188","11.9751","0.0016","13.956","0.002","16.948","0.002","103.541","0.004","106.768","0.004","105.443","0.004","2461.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 N5 Ni S4 -","- C21 H22 N5 Ni S4 -","- C84 H88 N20 Ni4 S16 -","4","2","","Chen, Xuan-Rong; Sui, Yun-Xia; Zhai, Lu; Ning, Wei-Hua; Ren, Xiao-Ming","Influence of the molecular structures of dithiolate ligands on crystal packing modes and magnetic properties in salts (Bz-Et3N)[Ni(dmit)x(mnt)2−x] (x = 0‒2)","CrystEngComm","2014","16","37","8717","","10.1039/C4CE01168F","","","0.71073","MoKα","","0.1988","0.0999","","","0.2502","0.3107","","","","","","0.991","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217189","9.6795","0.0009","11.1962","0.0011","12.7101","0.0013","85.342","0.003","74.876","0.003","85.864","0.003","1323.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H22 N Ni S10 -","- C19 H22 N Ni S10 -","- C38 H44 N2 Ni2 S20 -","2","1","","Chen, Xuan-Rong; Sui, Yun-Xia; Zhai, Lu; Ning, Wei-Hua; Ren, Xiao-Ming","Influence of the molecular structures of dithiolate ligands on crystal packing modes and magnetic properties in salts (Bz-Et3N)[Ni(dmit)x(mnt)2−x] (x = 0‒2)","CrystEngComm","2014","16","37","8717","","10.1039/C4CE01168F","","","0.71073","MoKα","","0.0454","0.034","","","0.0786","0.0853","","","","","","1.037","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217190","7.9725","0.001","14.7293","0.0017","44.097","0.005","90","","90","","90","","5178.3","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N3 Ni S7 -","- C20 H22 N3 Ni S7 -","- C160 H176 N24 Ni8 S56 -","8","2","","Chen, Xuan-Rong; Sui, Yun-Xia; Zhai, Lu; Ning, Wei-Hua; Ren, Xiao-Ming","Influence of the molecular structures of dithiolate ligands on crystal packing modes and magnetic properties in salts (Bz-Et3N)[Ni(dmit)x(mnt)2−x] (x = 0‒2)","CrystEngComm","2014","16","37","8717","","10.1039/C4CE01168F","","","0.71073","MoKα","","0.2155","0.0612","","","0.0697","0.0915","","","","","","0.963","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7217192","12.4555","0.001","14.7313","0.0012","15.9151","0.0012","63.621","0.002","81.425","0.002","83.341","0.002","2582.8","0.4","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H48 Cl F4 Ir N14 O -","- C54 H48 Cl F4 Ir N14 O -","- C108 H96 Cl2 F8 Ir2 N28 O2 -","2","1","","Rawson, Jeremy M.; Donato, Loïc; Zysman-Colman, Eli","Triazole-directed hydrogen-bonded structures of cationic iridium(iii) complexes","CrystEngComm","2014","16","36","8531","","10.1039/C4CE00980K","","","0.71073","MoKα","","0.0497","0.0373","","","0.0831","0.0893","","","","","","1.049","","","","has coordinates,has disorder","180502","2020-10-21","18:00:00",""
"7217197","19.4966","0.0008","19.4966","0.0008","58.604","0.003","90","","90","","120","","19291.9","1.5","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C72 H51 Cr N12 O105 P2 W24 -","- C72 H51 Cr N12 O105 P2 W24 -","- C216 H153 Cr3 N36 O315 P6 W72 -","3","0.166667","","Liao, Jian-Zhen; Dui, Xue-Jing; Zhang, Hai-Long; Wu, Xiao-Yuan; Lu, Can-Zhong","Polyoxometalate anion‒π interaction-directed assembly of a three-dimensional hydrogen-bonded supramolecular framework with nanoscale porosity","CrystEngComm","2014","16","46","10530","","10.1039/C4CE01283F","","","0.71073","MoKα","","0.122","0.0836","","","0.2451","0.2871","","","","","","1.009","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217199","10.054","0.002","10.073","0.002","12.755","0.003","107.386","0.003","97.437","0.003","96.535","0.002","1206.4","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H36 N4 O2 -","- C26 H36 N4 O2 -","- C52 H72 N8 O4 -","2","1","","Sathish Kumar, B.; Panda, Pradeepta K.","1D water chain stabilized by meso-expanded calix[4]pyrrole","CrystEngComm","2014","16","37","8669","","10.1039/C4CE01502A","","","0.71073","MoKα","","0.058","0.0532","","","0.1479","0.1517","","","","","","1.114","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217200","5.2963","0.001","7.4802","0.0014","11.401","0.002","90","","99.512","0.003","90","","445.47","0.14","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N2 -","- C10 H12 N2 -","- C20 H24 N4 -","2","0.5","","Sathish Kumar, B.; Panda, Pradeepta K.","1D water chain stabilized by meso-expanded calix[4]pyrrole","CrystEngComm","2014","16","37","8669","","10.1039/C4CE01502A","","","0.71073","MoKα","","0.1278","0.1198","","","0.346","0.3593","","","","","","1.581","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217201","15.7215","0.0016","12.0839","0.0012","16.2077","0.0017","90","","106.856","0.002","90","","2946.8","0.5","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C68 H72 Cl0 Mo2 N2 O8 -","- C68 H72 Mo2 N2 O8 -","- C136 H144 Mo4 N4 O16 -","2","1","","Chen, Yu; Ma, Li; Bian, Zheng; Jin, Rizhe; Kang, Chuanqing; Li, Zongjun; Gao, Xiang; Han, Fushe; Qiu, Xuepeng; Gao, Lianxun","The crystallographic observation of mesitylene‒mesitylene and mesitylene‒CH2Cl2‒mesitylene adducts trapped in an irregular cavity","CrystEngComm","2014","16","37","8652","","10.1039/C4CE01403K","","","0.71073","MoKα","","0.0513","0.0428","","","0.0863","0.091","","","","","","1.014","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217202","14.6862","0.0018","15.6249","0.0018","13.2871","0.0016","90","","90","","90","","3049","0.6","185","2","185","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C69 H74 Cl2 Mo2 N2 O8 -","- C69 H74 Cl2 Mo2 N2 O8 -","- C138 H148 Cl4 Mo4 N4 O16 -","2","0.5","","Chen, Yu; Ma, Li; Bian, Zheng; Jin, Rizhe; Kang, Chuanqing; Li, Zongjun; Gao, Xiang; Han, Fushe; Qiu, Xuepeng; Gao, Lianxun","The crystallographic observation of mesitylene–mesitylene and mesitylene–CH2Cl2–mesitylene adducts trapped in an irregular cavity","CrystEngComm","2014","16","37","8652","","10.1039/C4CE01403K","","","0.71073","MoKα","","0.0989","0.0591","","","0.1202","0.1372","","","","","","1.022","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217203","7.5319","0.0013","20.56","0.003","8.9505","0.0014","90","","114.813","0.008","90","","1258.1","0.4","190","2","190","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,2-Dibromotetrafluorobenzene N-Methylacetamide","","- C9 H7 Br2 F4 N O -","- C9 H7 Br2 F4 N O -","- C36 H28 Br8 F16 N4 O4 -","4","1","","Vasylyeva, Vera; Nayak, Susanta K.; Terraneo, Giancarlo; Cavallo, Gabriella; Metrangolo, Pierangelo; Resnati, Giuseppe","Orthogonal halogen and hydrogen bonds involving a peptide bond model","CrystEngComm","2014","16","35","8102","","10.1039/C4CE01514B","","","0.71073","MoKα","","0.1071","0.0483","","","0.1094","0.1389","","","","","","0.956","","","","has coordinates,has disorder","301864","2025-08-22","15:14:36",""
"7217204","7.7932","0.0006","19.6616","0.0014","8.8023","0.0006","90","","115.553","0.004","90","","1216.82","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,3-Dibromotetrafluorobenzene N-Methylacetamide","","- C9 H7 Br2 F4 N O -","- C9 H7 Br2 F4 N O -","- C36 H28 Br8 F16 N4 O4 -","4","1","","Vasylyeva, Vera; Nayak, Susanta K.; Terraneo, Giancarlo; Cavallo, Gabriella; Metrangolo, Pierangelo; Resnati, Giuseppe","Orthogonal halogen and hydrogen bonds involving a peptide bond model","CrystEngComm","2014","16","35","8102","","10.1039/C4CE01514B","","","0.71073","MoKα","","0.0462","0.0274","","","0.0538","0.0587","","","","","","1.048","","","","has coordinates,has disorder","301864","2025-08-22","15:14:36",""
"7217205","5.8653","0.0003","9.0752","0.0005","22.3773","0.0013","90","","95.126","0.003","90","","1186.35","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,4-Dibromotetrafluorobenzene N-Methylacetamide","","- C9 H7 Br2 F4 N O -","- C9 H7 Br2 F4 N O -","- C36 H28 Br8 F16 N4 O4 -","4","1","","Vasylyeva, Vera; Nayak, Susanta K.; Terraneo, Giancarlo; Cavallo, Gabriella; Metrangolo, Pierangelo; Resnati, Giuseppe","Orthogonal halogen and hydrogen bonds involving a peptide bond model","CrystEngComm","2014","16","35","8102","","10.1039/C4CE01514B","","","0.71073","MoKα","","0.0462","0.0364","","","0.0955","0.1103","","","","","","1.173","","","","has coordinates,has disorder","301864","2025-08-22","15:14:36",""
"7217206","7.2201","0.0003","8.6847","0.0003","21.5893","0.0008","85.66","0.002","81.022","0.002","74.403","0.002","1287.11","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","1,2-Diiodotetrafluorobenzene N-Methylacetamide","","- C9 H7 F4 I2 N O -","- C9 H7 F4 I2 N O -","- C36 H28 F16 I8 N4 O4 -","4","2","","Vasylyeva, Vera; Nayak, Susanta K.; Terraneo, Giancarlo; Cavallo, Gabriella; Metrangolo, Pierangelo; Resnati, Giuseppe","Orthogonal halogen and hydrogen bonds involving a peptide bond model","CrystEngComm","2014","16","35","8102","","10.1039/C4CE01514B","","","0.71073","MoKα","","0.037","0.0278","","","0.0709","0.0809","","","","","","1.234","","","","has coordinates,has disorder","301864","2025-08-22","15:14:36",""
"7217207","8.0655","0.0005","18.2945","0.001","9.1049","0.0005","90","","105.695","0.003","90","","1293.38","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,3-Diiodotetrafluorobenzene N-Methylacetamide","","- C9 H7 F4 I2 N O -","- C9 H7 F4 I2 N O -","- C36 H28 F16 I8 N4 O4 -","4","1","","Vasylyeva, Vera; Nayak, Susanta K.; Terraneo, Giancarlo; Cavallo, Gabriella; Metrangolo, Pierangelo; Resnati, Giuseppe","Orthogonal halogen and hydrogen bonds involving a peptide bond model","CrystEngComm","2014","16","35","8102","","10.1039/C4CE01514B","","","0.71073","MoKα","","0.0326","0.021","","","0.0398","0.0431","","","","","","1.021","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217208","21.263","0.009","4.7949","0.0019","12.348","0.006","90","","91.64","0.02","90","","1258.4","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1,4-Diiodotetrafluorobenzene N-Methylacetamide","","- C9 H7 F4 I2 N O -","- C9 H7 F4 I2 N O -","- C36 H28 F16 I8 N4 O4 -","4","0.5","","Vasylyeva, Vera; Nayak, Susanta K.; Terraneo, Giancarlo; Cavallo, Gabriella; Metrangolo, Pierangelo; Resnati, Giuseppe","Orthogonal halogen and hydrogen bonds involving a peptide bond model","CrystEngComm","2014","16","35","8102","","10.1039/C4CE01514B","","","0.71073","MoKα","","0.0255","0.0188","","","0.0413","0.0543","","","","","","1.249","","","","has coordinates,has disorder","301864","2025-08-22","15:14:36",""
"7217209","9.6481","0.0012","6.3391","0.0008","7.1825","0.0009","90","","90","","90","","439.28","0.1","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","N-methylacetamide","","- C3 H7 N O -","- C3 H7 N O -","- C12 H28 N4 O4 -","4","0.5","","Vasylyeva, Vera; Nayak, Susanta K.; Terraneo, Giancarlo; Cavallo, Gabriella; Metrangolo, Pierangelo; Resnati, Giuseppe","Orthogonal halogen and hydrogen bonds involving a peptide bond model","CrystEngComm","2014","16","35","8102","","10.1039/C4CE01514B","","","0.71073","MoKα","","0.0546","0.0471","","","0.1305","0.1344","","","","","","1.073","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217210","13.008","0.004","16.887","0.005","18.288","0.007","114.561","0.006","92.22","0.013","95.181","0.009","3626","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C140 H129 Cu13 N50 O6 -","- C140 H120 Cu13 N50 O6 -","- C140 H120 Cu13 N50 O6 -","1","0.5","","Fang, Zhen-Lan; Wu, Xiao-Yuan; Yu, Rong-Min; Lu, Can-Zhong","A microporous cationic metal‒organic framework constructed from metallamacrocycle-based nanocages: structures and luminescence properties","CrystEngComm","2014","16","37","8769","","10.1039/C4CE01185F","","","0.71073","MoKα","","0.1185","0.0808","","","0.1779","0.2098","","","","","","1.079","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217216","17.06","0.0014","29.727","0.003","7.9426","0.0006","90","","90","","90","","4028","0.6","296","2","296","2","","","","","","","","2","I b a 2","I 2 -2c","45","","1-(anthracen-9-yl)pyrene","","- C30 H18 -","- C30 H18 -","- C240 H144 -","8","1","","Nagarajan, Kalaivanan; Rajagopal, Shinaj K.; Hariharan, Mahesh","C–H⋯H–C and C–H⋯π contacts aid transformation of dimeric to monomeric anthracene in the solid state","CrystEngComm","2014","16","38","8946","","10.1039/C4CE01278J","","","0.71073","MoKα","","0.1139","0.0477","","","0.1091","0.169","","","","","","1.022","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217217","7.357","0.005","10.583","0.005","25.606","0.005","90","","96.097","0.005","90","","1982.4","1.7","296","2","296","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","1-(anthracen-9-yl)pyrene","","- C30 H18 -","- C30 H18 -","- C120 H72 -","4","1","","Nagarajan, Kalaivanan; Rajagopal, Shinaj K.; Hariharan, Mahesh","C–H⋯H–C and C–H⋯π contacts aid transformation of dimeric to monomeric anthracene in the solid state","CrystEngComm","2014","16","38","8946","","10.1039/C4CE01278J","","","0.71073","MoKα","","0.0579","0.0412","","","0.1162","0.137","","","","","","1.091","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217218","16.2326","0.0019","14.5987","0.0019","36.175","0.004","90","","94.93","0.009","90","","8540.9","1.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H22 N4 O8 Zn2 -","- C30 H22 N4 O8 Zn2 -","- C240 H176 N32 O64 Zn16 -","8","1","","Safarifard, Vahid; Morsali, Ali","Influence of an amine group on the highly efficient reversible adsorption of iodine in two novel isoreticular interpenetrated pillared-layer microporous metal‒organic frameworks","CrystEngComm","2014","16","37","8660","","10.1039/C4CE01331J","","","0.71073","MoKα","","0.1355","0.0973","","","0.2692","0.2957","","","","","","1.126","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217219","17.1558","0.0006","13.4604","0.0004","36.1586","0.0011","90","","97.233","0.002","90","","8283.4","0.5","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39.38 H45.88 N9.13 O11.13 Zn2 -","- C29.921 H19.931 N5.989 O8 Zn2 -","- C239.368 H159.448 N47.912 O64 Zn16 -","8","1","","Safarifard, Vahid; Morsali, Ali","Influence of an amine group on the highly efficient reversible adsorption of iodine in two novel isoreticular interpenetrated pillared-layer microporous metal‒organic frameworks","CrystEngComm","2014","16","37","8660","","10.1039/C4CE01331J","","","0.71073","MoKα","","0.1033","0.0722","","","0.2239","0.24","","","","","","1.15","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217220","5.4732","0.0011","14.309","0.003","11.659","0.002","90","","99.48","0.03","90","","900.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C36 H48 N4 O8 -","2","0.5","","Batisai, Eustina; Ayamine, Alban; Kilinkissa, Ornella E. Y.; Báthori, Nikoletta B.","Melting point–solubility–structure correlations in multicomponent crystals containing fumaric or adipic acid","CrystEngComm","2014","16","43","9992","","10.1039/C4CE01298D","","","0.71073","MoKα","","0.0671","0.0461","","","0.116","0.1292","","","","","","1.051","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217221","8.746","0.0017","7.217","0.0014","12.799","0.003","90","","92.68","0.03","90","","807","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C32 H36 N4 O8 -","2","0.5","","Batisai, Eustina; Ayamine, Alban; Kilinkissa, Ornella E. Y.; Báthori, Nikoletta B.","Melting point–solubility–structure correlations in multicomponent crystals containing fumaric or adipic acid","CrystEngComm","2014","16","43","9992","","10.1039/C4CE01298D","","","0.71073","MoKα","","0.0558","0.0409","","","0.1048","0.114","","","","","","1.052","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217222","9.805","0.002","4.8099","0.001","16.66","0.003","90","","98.91","0.03","90","","776.2","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C32 H36 N4 O8 -","2","0.5","","Batisai, Eustina; Ayamine, Alban; Kilinkissa, Ornella E. Y.; Báthori, Nikoletta B.","Melting point–solubility–structure correlations in multicomponent crystals containing fumaric or adipic acid","CrystEngComm","2014","16","43","9992","","10.1039/C4CE01298D","","","0.71073","MoKα","","0.0511","0.0382","","","0.1054","0.1125","","","","","","1.077","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217223","6.9477","0.0014","7.1623","0.0014","10.509","0.002","78.17","0.03","73.89","0.03","62.48","0.03","443.7","0.2","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","1","1","","Batisai, Eustina; Ayamine, Alban; Kilinkissa, Ornella E. Y.; Báthori, Nikoletta B.","Melting point–solubility–structure correlations in multicomponent crystals containing fumaric or adipic acid","CrystEngComm","2014","16","43","9992","","10.1039/C4CE01298D","","","0.71073","MoKα","","0.0429","0.0364","","","0.1037","0.111","","","","","","1.07","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217225","12.4818","0.0014","21.763","0.003","16.509","0.002","90","","103.577","0.005","90","","4359.2","0.9","200","2","200","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H41 Ce2 N3 O16 -","- C45 H40 Ce2 N3 O16 -","- C180 H160 Ce8 N12 O64 -","4","0.5","","Liu, Yen-Hsiang; Chien, Po-Hsiu","A series of lanthanide‒organic frameworks possessing arrays of 2D intersecting channels within a 3D pillar-supported packed double-decker network and Co2±induced luminescence modulation","CrystEngComm","2014","16","37","8852","","10.1039/C4CE00461B","","x-ray","0.71073","MoKα","","0.1265","0.0728","","","0.1404","0.1595","","","","","","1.05","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217226","16.135","0.003","26.792","0.005","18.63","0.004","90","","110.57","0.03","90","","7540","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C156 H174 Ca5 O44 -","- C156 H174 Ca5 O44 -","- C312 H348 Ca10 O88 -","2","0.5","","Noh, Kyungkyou; Ko, Nakeun; Park, Hye Jeong; Park, SangYoun; Kim, Jaheon","Two porous metal‒organic frameworks containing zinc‒calcium clusters and calcium cluster chains","CrystEngComm","2014","16","37","8664","","10.1039/C4CE01237B","","","0.8","synchrotron","","0.1006","0.0864","","","0.2614","0.2786","","","","","","1.196","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217227","16.55","0.002","16.55","0.002","14.748","0.003","90","","90","","120","","3498.3","0.9","100","2","100","2","","","","","","","chemical reaction","5","P -3 1 c","-P 3 2c","163","ZnCaBTB","ZnCaBTB","","- C69.25 H65.28 Ca O19.14 Zn2 -","- C69.258 H65.316 Ca O19.136 Zn2 -","- C138.516 H130.632 Ca2 O38.272 Zn4 -","2","0.166667","","Noh, Kyungkyou; Ko, Nakeun; Park, Hye Jeong; Park, SangYoun; Kim, Jaheon","Two porous metal‒organic frameworks containing zinc‒calcium clusters and calcium cluster chains","CrystEngComm","2014","16","37","8664","","10.1039/C4CE01237B","","","0.63","synchrotron","","0.0707","0.0701","","","0.2006","0.201","","","","","","1.187","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217228","22.87","0.005","34.647","0.007","9.535","0.002","90","","90","","90","","7555","3","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C8 H9 Ag2 Cr2 N12 O7.5 -","- C8 H9 Ag2 Cr2 N12 O7.5 -","- C128 H144 Ag32 Cr32 N192 O120 -","16","1","","Li, Xinxiong; Gong, Yaqiong; Zhao, Huaixia; Wang, Ruihu","Solvent-mediated crystal-to-crystal transformations from a cationic homometallic metal‒organic framework to heterometallic frameworks","CrystEngComm","2014","16","37","8818","","10.1039/C4CE01035C","","","0.71073","MoKα","","0.0204","0.0199","","","0.0474","0.0477","","","","","","1.005","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217229","12.8374","0.0001","13","","13.2175","0.0005","118.924","0.008","102.91","0.015","99.902","0.012","1777.6","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H36 Ag9 Cr8 F6 N36 O34 P -","- C24 H36 Ag9 Cr8 F6 N36 O34 P -","- C24 H36 Ag9 Cr8 F6 N36 O34 P -","1","0.5","","Li, Xinxiong; Gong, Yaqiong; Zhao, Huaixia; Wang, Ruihu","Solvent-mediated crystal-to-crystal transformations from a cationic homometallic metal‒organic framework to heterometallic frameworks","CrystEngComm","2014","16","37","8818","","10.1039/C4CE01035C","","","0.71073","MoKα","","0.0346","0.0321","","","0.0859","0.0877","","","","","","1.061","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217230","15.049","0.005","15.269","0.005","22.867","0.005","75.758","0.005","72.92","0.005","70.938","0.005","4681","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H70 N19 O54 P W11 Zn2.5 -","- C59 H62 N19 O54 P W11 Zn2.5 -","- C118 H124 N38 O108 P2 W22 Zn5 -","2","1","","Song, Bai-Qiao; Wang, Xin-Long; Liang, Jun; Zhang, Yu-Teng; Shao, Kui-Zhan; Su, Zhong-Min","Two hybrid materials assembled from transition metal mono-substituted Keggin polyoxoanions as photocatalysts under visible light","CrystEngComm","2014","16","39","9163","","10.1039/C4CE01148A","","","0.71069","MoKα","","0.0843","0.0465","","","0.0829","0.0966","","","","","","0.99","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217231","15.078","0.005","15.311","0.005","22.73","0.005","76.136","0.005","72.873","0.005","70.769","0.005","4675","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H70 Co2.5 N19 O54 P W11 -","- C59 H60 Co2.5 N19 O53 P W11 -","- C118 H120 Co5 N38 O106 P2 W22 -","2","1","","Song, Bai-Qiao; Wang, Xin-Long; Liang, Jun; Zhang, Yu-Teng; Shao, Kui-Zhan; Su, Zhong-Min","Two hybrid materials assembled from transition metal mono-substituted Keggin polyoxoanions as photocatalysts under visible light","CrystEngComm","2014","16","39","9163","","10.1039/C4CE01148A","","","0.71069","MoKα","","0.0675","0.0465","","","0.1101","0.1227","","","","","","1.015","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217251","17.297","0.002","30.446","0.004","14.7303","0.0019","90","","90","","90","","7757.3","1.7","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C20 H17 N3 Ni O6 -","- C20 H17 N3 Ni O6 -","- C320 H272 N48 Ni16 O96 -","16","1","","Liu, Shuang-De; Kuo, Bing-Chiuan; Liu, Yen-Wen; Lee, Jing-Yi; Wong, Kwun Yip; Lee, Hon Man","Tuning of net architectures of Ni(ii) and Zn(ii) coordination polymers using isomeric organic linkers","CrystEngComm","2014","16","37","8874","","10.1039/C4CE01072H","","x-ray","0.71073","MoKα","","0.0733","0.0684","","","0.1784","0.1824","","","","","","1.165","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217252","11.723","0.002","22.957","0.006","31.011","0.011","90","","90","","90","","8346","4","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C40 H28 N6 Ni2 O9 -","- C40 H28 N6 Ni2 O9 -","- C320 H224 N48 Ni16 O72 -","8","0.5","","Liu, Shuang-De; Kuo, Bing-Chiuan; Liu, Yen-Wen; Lee, Jing-Yi; Wong, Kwun Yip; Lee, Hon Man","Tuning of net architectures of Ni(ii) and Zn(ii) coordination polymers using isomeric organic linkers","CrystEngComm","2014","16","37","8874","","10.1039/C4CE01072H","","x-ray","0.71073","MoKα","","0.046","0.0432","","","0.1066","0.1076","","","","","","1.142","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217253","10.4229","0.0005","10.5611","0.0006","12.2119","0.0006","114.782","0.003","109.889","0.004","96.087","0.003","1097.92","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 N3 O7 Zn2 -","- C24 H16 N3 O7 Zn2 -","- C48 H32 N6 O14 Zn4 -","2","1","","Liu, Shuang-De; Kuo, Bing-Chiuan; Liu, Yen-Wen; Lee, Jing-Yi; Wong, Kwun Yip; Lee, Hon Man","Tuning of net architectures of Ni(ii) and Zn(ii) coordination polymers using isomeric organic linkers","CrystEngComm","2014","16","37","8874","","10.1039/C4CE01072H","","x-ray","0.71073","MoKα","","0.0583","0.0537","","","0.1472","0.1533","","","","","","1.106","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217254","7.5106","0.0002","31.1959","0.0007","10.5537","0.0003","90","","118.658","0.002","90","","2169.82","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N3 O9 Zn2 -","- C22 H15 N3 O9 Zn2 -","- C88 H60 N12 O36 Zn8 -","4","1","","Liu, Shuang-De; Kuo, Bing-Chiuan; Liu, Yen-Wen; Lee, Jing-Yi; Wong, Kwun Yip; Lee, Hon Man","Tuning of net architectures of Ni(ii) and Zn(ii) coordination polymers using isomeric organic linkers","CrystEngComm","2014","16","37","8874","","10.1039/C4CE01072H","","x-ray","0.71073","MoKα","","0.0867","0.0774","","","0.213","0.2229","","","","","","1.198","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217255","7.2889","0.0004","9.7098","0.0005","13.6547","0.0007","95.558","0.001","90.979","0.001","93.688","0.001","959.59","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 N3 O8 Zn -","- C21 H15 N3 O8 Zn -","- C42 H30 N6 O16 Zn2 -","2","1","","Liu, Shuang-De; Kuo, Bing-Chiuan; Liu, Yen-Wen; Lee, Jing-Yi; Wong, Kwun Yip; Lee, Hon Man","Tuning of net architectures of Ni(ii) and Zn(ii) coordination polymers using isomeric organic linkers","CrystEngComm","2014","16","37","8874","","10.1039/C4CE01072H","","x-ray","0.71073","MoKα","","0.1166","0.0788","","","0.203","0.2498","","","","","","1.025","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217256","20.233","0.004","10.901","0.002","20.355","0.004","90","","115.467","0.01","90","","4053.3","1.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H28 N6 O15 Zn4 -","- C42 H26 N6 O15 Zn4 -","- C168 H104 N24 O60 Zn16 -","4","0.5","","Liu, Shuang-De; Kuo, Bing-Chiuan; Liu, Yen-Wen; Lee, Jing-Yi; Wong, Kwun Yip; Lee, Hon Man","Tuning of net architectures of Ni(ii) and Zn(ii) coordination polymers using isomeric organic linkers","CrystEngComm","2014","16","37","8874","","10.1039/C4CE01072H","","x-ray","0.71073","MoKα","","0.0906","0.0842","","","0.2378","0.2432","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217257","14.2985","0.0004","12.5882","0.0003","14.4371","0.0004","90","","112.007","0.001","90","","2409.23","0.11","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Co N4 O10 -","- C20 H22 Co N4 O10 -","- C80 H88 Co4 N16 O40 -","4","1","","Maity, Dilip Kumar; Bhattacharya, Biswajit; Mondal, Rajarshi; Ghoshal, Debajyoti","Five diverse bivalent metal coordination polymers based on benzene dicarboxylate and bent dipyridyl ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2014","16","37","8896","","10.1039/C4CE00966E","","","0.71073","MoKα","","0.0565","0.0424","","","0.124","0.1347","","","","","","1.057","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217258","6.728","0.0002","8.6182","0.0002","10.0558","0.0003","97.302","0.001","97.195","0.001","92.055","0.001","572.99","0.03","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 Co N4 O6 -","- C22 H22 Co N4 O6 -","- C22 H22 Co N4 O6 -","1","0.5","","Maity, Dilip Kumar; Bhattacharya, Biswajit; Mondal, Rajarshi; Ghoshal, Debajyoti","Five diverse bivalent metal coordination polymers based on benzene dicarboxylate and bent dipyridyl ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2014","16","37","8896","","10.1039/C4CE00966E","","","0.71073","MoKα","","0.0305","0.0295","","","0.0852","0.0861","","","","","","1.079","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217259","19.004","0.0004","6.6043","0.0001","15.8025","0.0004","90","","111.595","0.002","90","","1844.13","0.07","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 N4 O4 Zn -","- C20 H14 N4 O4 Zn -","- C80 H56 N16 O16 Zn4 -","4","0.5","","Maity, Dilip Kumar; Bhattacharya, Biswajit; Mondal, Rajarshi; Ghoshal, Debajyoti","Five diverse bivalent metal coordination polymers based on benzene dicarboxylate and bent dipyridyl ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2014","16","37","8896","","10.1039/C4CE00966E","","","0.71073","MoKα","","0.0364","0.0316","","","0.0879","0.0907","","","","","","1.091","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217260","10.088","0.005","12.001","0.005","12.044","0.005","84.583","0.005","67.262","0.005","82.802","0.005","1332.5","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H25 N6 O4 Zn -","- C29 H25 N6 O4 Zn -","- C58 H50 N12 O8 Zn2 -","2","1","","Maity, Dilip Kumar; Bhattacharya, Biswajit; Mondal, Rajarshi; Ghoshal, Debajyoti","Five diverse bivalent metal coordination polymers based on benzene dicarboxylate and bent dipyridyl ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2014","16","37","8896","","10.1039/C4CE00966E","","","0.71073","MoKα","","0.0564","0.0396","","","0.0882","0.0947","","","","","","1.046","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217261","15.976","0.005","6.097","0.005","20.824","0.005","90","0.005","100.578","0.005","90","0.005","1993.9","1.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Cd N4 O5 -","- C20 H16 Cd N4 O5 -","- C80 H64 Cd4 N16 O20 -","4","0.5","","Maity, Dilip Kumar; Bhattacharya, Biswajit; Mondal, Rajarshi; Ghoshal, Debajyoti","Five diverse bivalent metal coordination polymers based on benzene dicarboxylate and bent dipyridyl ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2014","16","37","8896","","10.1039/C4CE00966E","","","0.71073","MoKα","","0.0299","0.0258","","","0.0556","0.0574","","","","","","1.043","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217262","13.296","0.001","20.271","0.002","18.723","0.001","90","","114.535","0.003","90","","4590.6","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 Cl4 O5 P2 Zn2 -","- C44 H42 Cl4 O5 P2 Zn2 -","- C176 H168 Cl16 O20 P8 Zn8 -","4","1","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.201","0.0868","","","0.1801","0.2413","","","","","","1.027","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217263","19.851","0.001","19.805","0.001","12.606","0.001","90","","105.37","0.003","90","","4778.8","0.5","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C84 H88 Cd2 Cl8 Cu2 O14 P4 -","- C84 H88 Cd2 Cl8 Cu2 O14 P4 -","- C168 H176 Cd4 Cl16 Cu4 O28 P8 -","2","0.25","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.1684","0.0392","","","0.0699","0.0985","","","","","","0.845","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217264","13.439","0.004","12.495","0.004","21.984","0.005","90","","90.006","0.005","90","","3691.6","1.8","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H44 Cl2 Hg O6 P2 -","- C36 H44 Cl2 Hg O6 P2 -","- C144 H176 Cl8 Hg4 O24 P8 -","4","0.5","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.0495","0.0413","","","0.0798","0.0825","","","","","","1.132","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217265","18.38","0.01","12.946","0.007","18.556","0.01","90","","97.26","0.01","90","","4380","4","198","2","198","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H50 Cd Cl2 O8 P2 -","- C44 H50 Cd Cl2 O8 P2 -","- C176 H200 Cd4 Cl8 O32 P8 -","4","1","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.1267","0.0702","","","0.1691","0.1924","","","","","","0.943","","","","has coordinates,has disorder","301864","2025-08-22","15:14:36",""
"7217266","19.11","0.002","19.11","0.002","17.309","0.002","90","","90","","90","","6321.1","1.2","150","2","150","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C64 H66 Cd Cl4 O8 P4 -","- C64 H66 Cd Cl4 O8 P4 -","- C256 H264 Cd4 Cl16 O32 P16 -","4","0.25","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.0463","0.0332","","","0.0616","0.0648","","","","","","0.931","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217267","9.565","0.001","9.761","0.001","23.907","0.003","90","","91.139","0.002","90","","2231.6","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 Cl2 O3 P Zn -","- C22 H23 Cl2 O3 P Zn -","- C88 H92 Cl8 O12 P4 Zn4 -","4","1","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.0316","0.0268","","","0.0705","0.0729","","","","","","1.047","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217268","9.822","0.001","9.894","0.001","12.303","0.001","76.679","0.001","80.871","0.001","76.246","0.001","1123.22","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H42 Cl4 Hg2 O4 P2 -","- C44 H42 Cl4 Hg2 O4 P2 -","- C44 H42 Cl4 Hg2 O4 P2 -","1","0.5","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.0233","0.0204","","","0.0491","0.0506","","","","","","1.007","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217269","18.129","0.003","12.883","0.002","18.871","0.003","90","","98.154","0.002","90","","4362.9","1.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H46 Cl2 O6 P2 Zn -","- C44 H46 Cl2 O6 P2 Zn -","- C176 H184 Cl8 O24 P8 Zn4 -","4","2","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.1553","0.0551","","","0.1185","0.1443","","","","","","0.829","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217270","13.1156","0.0004","14.2632","0.0004","14.7819","0.0004","95.833","0.001","101.823","0.001","115.618","0.001","2383.17","0.12","198","2","198","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H100 Cd2 Cl8 O20 P4 Zn2 -","- C84 H76 Cd2 Cl8 O8 P4 Zn2 -","- C84 H76 Cd2 Cl8 O8 P4 Zn2 -","1","0.5","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.0623","0.0421","","","0.1187","0.124","","","","","","0.972","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217271","13.1245","0.0005","17.9402","0.0006","18.6539","0.0007","90","","90","","90","","4392.2","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H52 Cl2 O11 P2 Zn -","- C42 H52 Cl2 O11 P2 Zn -","- C168 H208 Cl8 O44 P8 Zn4 -","4","1","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.0322","0.0279","","","0.0694","0.0715","","","","","","1.036","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217272","9.991","0.003","10.612","0.003","24.958","0.006","90","","104.45","0.009","90","","2562.5","1.2","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C54 H50 Cd Cl2 O6 P2 -","- C54 H46 Cd Cl2 O6.01 P2 -","- C108 H92 Cd2 Cl4 O12.02 P4 -","2","0.5","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.0584","0.0471","","","0.1583","0.1653","","","","","","1.162","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217273","12.296","0.001","15.163","0.002","16.486","0.002","91.587","0.001","95.492","0.001","104.08","0.001","2963.6","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C126 H124 Cl2 Cu2 O21 P4 -","- C126 H120 Cl2 Cu2 O21 P4 -","- C126 H120 Cl2 Cu2 O21 P4 -","1","0.5","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.0906","0.0554","","","0.1393","0.1525","","","","","","0.985","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217274","13.451","0.002","12.557","0.002","22.015","0.003","90","","90.216","0.002","90","","3718.4","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H44 Cl2 O6 P2 Zn -","- C36 H44 Cl2 O6 P2 Zn -","- C144 H176 Cl8 O24 P8 Zn4 -","4","0.5","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.0472","0.0421","","","0.1226","0.1264","","","","","","1.006","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217280","27.1582","0.0014","28.5362","0.0013","24.0085","0.0011","90","","113.869","0.001","90","","17015","1.4","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","PPh4-Aletbat","","","- C86.5 H113 Al Cl5 O4 P -","- C86.5 H113 Al Cl5 O4 P -","- C692 H904 Al8 Cl40 O32 P8 -","8","1","","Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F.","Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions","Green Chem.","2014","16","11","4696","","10.1039/C4GC00928B","","","0.71073","MoKα","","0.1435","0.0843","","","0.2228","0.2696","","","","","","1.013","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7217281","16.4252","0.001","16.4896","0.001","29.6929","0.0018","90","","102.666","0.001","90","","7846.5","0.8","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Li(thf)4-Aletbat","","","- C77 H122 Al Cl2 Li O8 -","- C77 H122 Al Cl2 Li O8 -","- C308 H488 Al4 Cl8 Li4 O32 -","4","1","","Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F.","Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions","Green Chem.","2014","16","11","4696","","10.1039/C4GC00928B","","","0.71073","MoKα","","0.1094","0.0789","","","0.2113","0.2375","","","","","","1.013","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217282","14.1898","0.0002","14.7188","0.0003","19.354","0.0004","83.112","0.001","89.299","0.001","71.328","0.001","3800.35","0.13","200","2","200","2","","","","","","","","5","P -1","-P 1","2","Na(thf)4 Aletbat","","","- C76 H120 Al Na O8 -","- C76 H120 Al Na O8 -","- C152 H240 Al2 Na2 O16 -","2","1","","Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F.","Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions","Green Chem.","2014","16","11","4696","","10.1039/C4GC00928B","","","0.71073","MoKα","","0.1158","0.07","","","0.1787","0.2055","","","","","","1.039","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217283","24.3711","0.0015","24.6465","0.0015","25.3492","0.0015","90","","90","","90","","15226.3","1.6","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","NBu4-Aletbat","","","- C77 H126 Al Cl2 N O4 -","- C77 H126 Al Cl2 N O4 -","- C616 H1008 Al8 Cl16 N8 O32 -","8","1","","Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F.","Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions","Green Chem.","2014","16","11","4696","","10.1039/C4GC00928B","","","0.71073","MoKα","","0.1351","0.0788","","","0.1755","0.2123","","","","","","1.019","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217284","5.9662","0.0013","10.201","0.002","14.27","0.003","101.025","0.005","93.011","0.005","104.712","0.005","819.8","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","Aletbat Bisphenol","","","- C34 H52 N2 O2 -","- C34 H52 N2 O2 -","- C34 H52 N2 O2 -","1","0.5","","Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F.","Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions","Green Chem.","2014","16","11","4696","","10.1039/C4GC00928B","","","0.71073","MoKα","","0.1321","0.07","","","0.1515","0.1785","","","","","","1.06","","","","has coordinates,has disorder","301864","2025-08-22","15:14:36",""
"7217285","24.5162","0.0013","14.2702","0.0007","27.0151","0.0013","90","","90","","90","","9451.3","0.8","200","2","200","2","","","","","","","","7","P c a 21","P 2c -2ac","29","IPrAuSMe2-Aletbat","","","- C94 H142 Al Au N2 O4 S -","- C94 H142 Al Au N2 O4 S -","- C376 H568 Al4 Au4 N8 O16 S4 -","4","1","","Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F.","Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions","Green Chem.","2014","16","11","4696","","10.1039/C4GC00928B","","","0.71073","MoKα","","0.0908","0.0586","","","0.1074","0.1213","","","","","","1.023","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217286","11.081","0.002","23.961","0.006","24.439","0.006","90","","101.533","0.007","90","","6358","3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Na(thf)2-Aletbat","","","- C68 H104 Al Na O6 -","- C68 H104 Al Na O6 -","- C272 H416 Al4 Na4 O24 -","4","0.5","","Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F.","Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions","Green Chem.","2014","16","11","4696","","10.1039/C4GC00928B","","","0.71073","MoKα","","0.1865","0.1312","","","0.3141","0.3504","","","","","","1.085","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217287","9.971","0.004","11.013","0.004","19.557","0.008","90","","94.091","0.014","90","","2142.1","1.5","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Alphetbat Brommmethyphenol","","","- C25 H27 Br O -","- C25 H27 Br O -","- C100 H108 Br4 O4 -","4","1","","Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F.","Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions","Green Chem.","2014","16","11","4696","","10.1039/C4GC00928B","","","0.71073","MoKα","","0.094","0.052","","","0.1142","0.1336","","","","","","1.037","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217288","23.87","0.02","23.87","0.02","10.781","0.009","90","","90","","90","","6143","9","200","2","200","2","","","","","","","","3","I 41/a","-I 4ad","88","Aletpat Bisphenol","","","- C34 H54 O2 -","- C34 H54 O2 -","- C272 H432 O16 -","8","","","Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F.","Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions","Green Chem.","2014","16","11","4696","","10.1039/C4GC00928B","","","0.71073","MoKα","","0.1811","0.1123","","","0.2622","0.3016","","","","","","1.089","","","","has coordinates,has disorder","301864","2025-08-22","15:14:36",""
"7217289","23.163","0.002","27.127","0.003","30.989","0.003","115.645","0.002","99.092","0.003","100.786","0.003","16604","3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","PPh4-Aletpat","","","- C92 H124 Al O4 P -","- C92 H124 Al O4 P -","- C736 H992 Al8 O32 P8 -","8","4","","Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F.","Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions","Green Chem.","2014","16","11","4696","","10.1039/C4GC00928B","","","0.71073","MoKα","","0.1781","0.0947","","","0.2477","0.303","","","","","","1.035","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217290","11.466","0.003","11.745","0.003","11.838","0.003","71.639","0.007","75.918","0.007","72.993","0.007","1426.7","0.6","200","2","200","2","","","","","","","","3","P -1","-P 1","2","Alphetbat Bisphenol","","","- C66 H86 O6 -","- C66 H86 O6 -","- C66 H86 O6 -","1","0.5","","Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F.","Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions","Green Chem.","2014","16","11","4696","","10.1039/C4GC00928B","","","0.71073","MoKα","","0.0888","0.0593","","","0.1473","0.1689","","","","","","1.031","","","","has coordinates,has disorder","301864","2025-08-22","15:14:36",""
"7217291","14.8662","0.0015","33.789","0.004","27.09","0.003","90","","94.019","0.004","90","","13574","3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","PPh4-Alphetbat","","","- C136 H152 Al Cl4 O4 P -","- C136 H152 Al Cl4 O4 P -","- C544 H608 Al4 Cl16 O16 P4 -","4","1","","Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F.","Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions","Green Chem.","2014","16","11","4696","","10.1039/C4GC00928B","","","0.71073","MoKα","","0.1585","0.1064","","","0.3107","0.3518","","","","","","1.227","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217298","9.0285","0.0015","12.877","0.002","17.446","0.003","90","","119.823","0.007","90","","1759.7","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 Cl2 N2 Ru -","- C17 H20 Cl2 N2 Ru -","- C68 H80 Cl8 N8 Ru4 -","4","1","","Cheng, Bao; Tehrani, Alireza Azhdari; Hu, Mao-Lin; Morsali, Ali","Supramolecular assemblies of Ru(ii) organometallic half-sandwich complexes","CrystEngComm","2014","16","38","9125","","10.1039/C4CE01214C","","","0.71073","MoKα","","0.0959","0.0912","","","0.1606","0.1622","","","","","","1.41","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217299","10.1443","0.0017","18.539","0.003","11.6609","0.0015","90","","122.58","0.01","90","","1847.9","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cl2 N2 O0 Ru -","- C18 H22 Cl2 N2 Ru -","- C72 H88 Cl8 N8 Ru4 -","4","1","","Cheng, Bao; Tehrani, Alireza Azhdari; Hu, Mao-Lin; Morsali, Ali","Supramolecular assemblies of Ru(ii) organometallic half-sandwich complexes","CrystEngComm","2014","16","38","9125","","10.1039/C4CE01214C","","","0.71073","MoKα","","0.0588","0.0537","","","0.15","0.1577","","","","","","1.334","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217300","9.24","0.002","21.764","0.005","9.576","0.002","90","","102.591","0.004","90","","1879.4","0.7","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 Cl2 N O2 Ru -","- C18 H23 Cl2 N O2 Ru -","- C72 H92 Cl8 N4 O8 Ru4 -","4","1","","Cheng, Bao; Tehrani, Alireza Azhdari; Hu, Mao-Lin; Morsali, Ali","Supramolecular assemblies of Ru(ii) organometallic half-sandwich complexes","CrystEngComm","2014","16","38","9125","","10.1039/C4CE01214C","","","0.71073","MoKα","","0.0856","0.0827","","","0.1395","0.1405","","","","","","1.363","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217301","7.8773","0.0016","9.0893","0.0019","14.82","0.003","87.187","0.004","83.837","0.003","70.569","0.003","994.8","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H23 Cl2 N O2 Ru -","- C18 H23 Cl2 N O2 Ru -","- C36 H46 Cl4 N2 O4 Ru2 -","2","1","","Cheng, Bao; Tehrani, Alireza Azhdari; Hu, Mao-Lin; Morsali, Ali","Supramolecular assemblies of Ru(ii) organometallic half-sandwich complexes","CrystEngComm","2014","16","38","9125","","10.1039/C4CE01214C","","","0.71073","MoKα","","0.0556","0.0544","","","0.1615","0.1662","","","","","","1.427","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217302","9.7344","0.0014","13.158","0.002","16.451","0.002","97.681","0.003","92.007","0.003","106.116","0.003","2000.4","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H25 Cl2 N O2 Ru -","- C19 H25 Cl2 N O2 Ru -","- C76 H100 Cl8 N4 O8 Ru4 -","4","2","","Cheng, Bao; Tehrani, Alireza Azhdari; Hu, Mao-Lin; Morsali, Ali","Supramolecular assemblies of Ru(ii) organometallic half-sandwich complexes","CrystEngComm","2014","16","38","9125","","10.1039/C4CE01214C","","","0.71073","MoKα","","0.1103","0.0998","","","0.2314","0.2391","","","","","","1.297","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217303","7.8252","0.0017","9.227","0.002","17.196","0.004","77.288","0.004","80.06","0.004","69.45","0.004","1127.9","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H29 Cl2 N O2 Ru -","- C21 H29 Cl2 N O2 Ru -","- C42 H58 Cl4 N2 O4 Ru2 -","2","1","","Cheng, Bao; Tehrani, Alireza Azhdari; Hu, Mao-Lin; Morsali, Ali","Supramolecular assemblies of Ru(ii) organometallic half-sandwich complexes","CrystEngComm","2014","16","38","9125","","10.1039/C4CE01214C","","","0.71073","MoKα","","0.0703","0.0686","","","0.1596","0.1677","","","","","","1.286","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217304","13.381","0.0014","8.933","0.0009","13.2711","0.0013","90","","95.693","0.002","90","","1578.5","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cl2 N O2 Ru -","- C15 H17 Cl2 N O2 Ru -","- C60 H68 Cl8 N4 O8 Ru4 -","4","1","","Cheng, Bao; Tehrani, Alireza Azhdari; Hu, Mao-Lin; Morsali, Ali","Supramolecular assemblies of Ru(ii) organometallic half-sandwich complexes","CrystEngComm","2014","16","38","9125","","10.1039/C4CE01214C","","","0.71073","MoKα","","0.1451","0.1411","","","0.2543","0.2562","","","","","","1.441","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217305","6.6232","0.0008","8.5047","0.001","16.752","0.002","101.87","0.002","96.297","0.003","98.447","0.002","903.83","0.19","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 Cl2 N O2 Ru -","- C17 H21 Cl2 N O2 Ru -","- C34 H42 Cl4 N2 O4 Ru2 -","2","1","","Cheng, Bao; Tehrani, Alireza Azhdari; Hu, Mao-Lin; Morsali, Ali","Supramolecular assemblies of Ru(ii) organometallic half-sandwich complexes","CrystEngComm","2014","16","38","9125","","10.1039/C4CE01214C","","","0.71073","MoKα","","0.1424","0.1364","","","0.2832","0.2899","","","","","","1.334","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217306","8.351","0.003","44.438","0.017","11.41","0.004","90","","98.532","0.005","90","","4187","3","120.15","","120.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","Cabazitaxel","","- C45 H57 N O14 -","- C45 H57 N O14 -","- C180 H228 N4 O56 -","4","2","","Baisch, U.; Vella-Zarb, L.","Towards understanding P-gp resistance: a case study of the antitumour drug cabazitaxel","CrystEngComm","2014","16","44","10161","","10.1039/C4CE01279H","","x-ray","0.6889","","","0.1306","0.0989","","","0.2557","0.276","","","","","","1.051","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217307","8.506","0.005","45.16","0.02","11.675","0.006","90","","98.362","0.004","90","","4437","4","120.15","","120.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","Cabazitaxel hemihydrate","","- C45 H57.5 N O14.25 -","- C45 H57.5 N O14.25 -","- C180 H230 N4 O57 -","4","2","","Baisch, U.; Vella-Zarb, L.","Towards understanding P-gp resistance: a case study of the antitumour drug cabazitaxel","CrystEngComm","2014","16","44","10161","","10.1039/C4CE01279H","","x-ray","0.6889","","","0.1349","0.1002","","","0.2622","0.2838","","","","","","1.034","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217308","12.542","0.002","8.6716","0.0016","42.09","0.008","90","","89.987","0.002","90","","4577.7","1.4","120.15","","120.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","Cabazitaxel ethanol solvate hemihydrate","","- C47 H63 N O15.5 -","- C47 H63 N O15.5 -","- C188 H252 N4 O62 -","4","2","","Baisch, U.; Vella-Zarb, L.","Towards understanding P-gp resistance: a case study of the antitumour drug cabazitaxel","CrystEngComm","2014","16","44","10161","","10.1039/C4CE01279H","","x-ray","0.6889","","","0.0575","0.0549","","","0.143","0.1456","","","","","","1.101","","","","has coordinates,has disorder","301864","2025-08-22","15:14:36",""
"7217309","11.778","0.005","17.208","0.007","12.339","0.005","90","","109.747","0.005","90","","2353.8","1.7","120.15","","120.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","Cabazitaxel tetrahydrofurane solvate","","- C45 H57 N O14 -","- C48.5 H64.02 N O15 -","- C97 H128.04 N2 O30 -","2","1","","Baisch, U.; Vella-Zarb, L.","Towards understanding P-gp resistance: a case study of the antitumour drug cabazitaxel","CrystEngComm","2014","16","44","10161","","10.1039/C4CE01279H","","x-ray","0.6889","","","0.1093","0.0869","","","0.1698","0.1789","","","","","","1.126","","","","has coordinates,has disorder","180504","2020-10-21","18:00:00",""
"7217310","11.725","0.002","17.328","0.003","12.449","0.002","90","","110.453","0.002","90","","2369.8","0.7","120.15","","120.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","Cabazitaxel Acetone Solvate","","- C48 H63 N O15 -","- C48 H63 N O15 -","- C96 H126 N2 O30 -","2","1","","Baisch, U.; Vella-Zarb, L.","Towards understanding P-gp resistance: a case study of the antitumour drug cabazitaxel","CrystEngComm","2014","16","44","10161","","10.1039/C4CE01279H","","x-ray","0.6889","","","0.0334","0.0317","","","0.0805","0.0817","","","","","","1.032","","","","has coordinates,has disorder","301864","2025-08-22","15:14:36",""
"7217320","14.8105","0.0006","10.1034","0.0006","6.8817","0.0003","90","","90","","90","","1029.75","0.09","293","","293","","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C6 H8 Cu2 I2 N2 -","- C6 H8 Cu2 I2 N2 -","- C24 H32 Cu8 I8 N8 -","4","0.5","","Kitada, Nobuo; Ishida, Takayuki","Polymeric one- and two-dimensional copper(i) iodide complexes showing photoluminescence tunable by azaaromatic ligands","CrystEngComm","2014","16","34","8035","","10.1039/C4CE01231C","","","0.71073","MoKα","","","0.0307","","","","0.0549","","","","","","1.052","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217321","4.2971","0.0012","8.22","0.003","8.247","0.003","110.85","0.03","102.04","0.03","94.82","0.03","262.22","0.17","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 Cu2 I2 N2 -","- C6 H8 Cu2 I2 N2 -","- C6 H8 Cu2 I2 N2 -","1","0.5","","Kitada, Nobuo; Ishida, Takayuki","Polymeric one- and two-dimensional copper(i) iodide complexes showing photoluminescence tunable by azaaromatic ligands","CrystEngComm","2014","16","34","8035","","10.1039/C4CE01231C","","","0.71073","MoKα","","","0.059","","","","0.0786","","","","","","1.034","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217322","4.1718","0.0002","27.4616","0.0014","7.6232","0.0006","90","","97.299","0.003","90","","866.27","0.09","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Cu I N2 -","- C6 H8 Cu I N2 -","- C24 H32 Cu4 I4 N8 -","4","1","","Kitada, Nobuo; Ishida, Takayuki","Polymeric one- and two-dimensional copper(i) iodide complexes showing photoluminescence tunable by azaaromatic ligands","CrystEngComm","2014","16","34","8035","","10.1039/C4CE01231C","","","0.71073","MoKα","","","0.0683","","","","0.1122","","","","","","1.473","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217323","14.102","0.005","15.392","0.006","8.233","0.003","90","","97.833","0.018","90","","1770.4","1.1","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H9 Cu I N -","- C7 H9 Cu I N -","- C56 H72 Cu8 I8 N8 -","8","1","","Kitada, Nobuo; Ishida, Takayuki","Polymeric one- and two-dimensional copper(i) iodide complexes showing photoluminescence tunable by azaaromatic ligands","CrystEngComm","2014","16","34","8035","","10.1039/C4CE01231C","","","0.71073","MoKα","","","0.0352","","","","0.0607","","","","","","1.034","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217324","7.54","0.0015","26.67","0.005","8.2","0.002","90","","97.002","0.018","90","","1636.7","0.6","294","2","294","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Cl4 Hg N6 -","- C10 H10 Cl4 Hg N6 -","- C40 H40 Cl16 Hg4 N24 -","4","1","","Orvay, Francisca; Bauzá, Antonio; Barceló-Oliver, Miquel; García-Raso, Angel; Fiol, Joan J.; Costa, Antoni; Molins, Elies; Mata, Ignasi; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of bis-N-imidazolylpyrimidine salts: the prominent role of hydrogen bonding and anion–π interactions","CrystEngComm","2014","16","38","9043","","10.1039/C4CE01425A","","x-ray","0.71073","MoKα","","0.1012","0.0588","","","0.1529","0.1692","","","","","","1.018","","","","has coordinates,has disorder","301864","2025-08-22","15:14:36",""
"7217325","7.303","0.0018","8.599","0.002","21.577","0.009","90","","94.32","0.03","90","","1351.2","0.7","294","2","294","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 Cl2 N6 O -","- C10 H12 Cl2 N6 O -","- C40 H48 Cl8 N24 O4 -","4","1","","Orvay, Francisca; Bauzá, Antonio; Barceló-Oliver, Miquel; García-Raso, Angel; Fiol, Joan J.; Costa, Antoni; Molins, Elies; Mata, Ignasi; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of bis-N-imidazolylpyrimidine salts: the prominent role of hydrogen bonding and anion–π interactions","CrystEngComm","2014","16","38","9043","","10.1039/C4CE01425A","","x-ray","0.71073","MoKα","","0.1098","0.0476","","","0.1032","0.1225","","","","","","1.02","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217326","7.478","0.002","26.697","0.005","8.27","0.003","90","","96.55","0.02","90","","1640.2","0.8","294","2","294","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Cd Cl4 N6 -","- C10 H10 Cd Cl4 N6 -","- C40 H40 Cd4 Cl16 N24 -","4","1","","Orvay, Francisca; Bauzá, Antonio; Barceló-Oliver, Miquel; García-Raso, Angel; Fiol, Joan J.; Costa, Antoni; Molins, Elies; Mata, Ignasi; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of bis-N-imidazolylpyrimidine salts: the prominent role of hydrogen bonding and anion‒π interactions","CrystEngComm","2014","16","38","9043","","10.1039/C4CE01425A","","x-ray","0.71073","MoKα","","0.0771","0.0418","","","0.0949","0.1071","","","","","","1.071","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217327","9.5097","0.0019","11.521","0.003","14.622","0.003","90","","92.794","0.017","90","","1600.1","0.6","294","2","294","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 N9 O9 -","- C10 H11 N9 O9 -","- C40 H44 N36 O36 -","4","1","","Orvay, Francisca; Bauzá, Antonio; Barceló-Oliver, Miquel; García-Raso, Angel; Fiol, Joan J.; Costa, Antoni; Molins, Elies; Mata, Ignasi; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of bis-N-imidazolylpyrimidine salts: the prominent role of hydrogen bonding and anion–π interactions","CrystEngComm","2014","16","38","9043","","10.1039/C4CE01425A","","x-ray","0.71073","MoKα","","0.1031","0.0534","","","0.1291","0.1459","","","","","","1.034","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217328","11.395","0.004","14.021","0.006","10.265","0.004","90","","90","","90","","1640","1.1","294","2","294","2","","","","","","","synthesis as described","5","C c m 21","C 2c -2c","36","","","","- C10 H10 Cl4 N6 Zn -","- C10 H10 Cl4 N6 Zn -","- C40 H40 Cl16 N24 Zn4 -","4","0.5","","Orvay, Francisca; Bauzá, Antonio; Barceló-Oliver, Miquel; García-Raso, Angel; Fiol, Joan J.; Costa, Antoni; Molins, Elies; Mata, Ignasi; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of bis-N-imidazolylpyrimidine salts: the prominent role of hydrogen bonding and anion‒π interactions","CrystEngComm","2014","16","38","9043","","10.1039/C4CE01425A","","x-ray","0.71073","MoKα","","0.0582","0.042","","","0.087","0.0923","","","","","","0.996","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217376","17.145","0.003","14.709","0.0018","7.0193","0.0011","90","","93.319","0.015","90","","1767.2","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 N4 O2 P S2 -","- C12 H21 N4 O2 P S2 -","- C48 H84 N16 O8 P4 S8 -","4","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Bolte, Michael; Garcia, Yann","N-Salicylidene aniline derivatives based on the N′-thiophosphorylated thiourea scaffold","CrystEngComm","2014","16","30","7053","","10.1039/C4CE00598H","","","0.71073","MoKα","","0.1369","0.1307","","","0.3356","0.3384","","","","","","1.179","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217380","9.0052","0.0008","11.7572","0.001","12.3225","0.0011","98.558","0.007","106.445","0.007","97.06","0.007","1218.5","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H23 Cl2 N4 O3 P S2 -","- C19 H23 Cl2 N4 O3 P S2 -","- C38 H46 Cl4 N8 O6 P2 S4 -","2","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Bolte, Michael; Garcia, Yann","N-Salicylidene aniline derivatives based on the N′-thiophosphorylated thiourea scaffold","CrystEngComm","2014","16","30","7053","","10.1039/C4CE00598H","","","0.71073","MoKα","","0.0598","0.0468","","","0.1065","0.1118","","","","","","1.078","","","","has coordinates,has disorder","301864","2025-08-22","15:14:36",""
"7217396","17.435","0.0004","13.8312","0.0003","9.7128","0.0002","90","","96.559","0.001","90","","2326.88","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 N3 O6 -","- C21 H33 N3 O6 -","- C84 H132 N12 O24 -","4","1","","Wang, Zijun; Lee, Joseph; Oian, Casey; Hou, Xiaodong; Wang, Zhihan; Ugrinov, Angel; Singh, Rajiv K.; Wysocki, Erin; Chu, Qianli R.","An unsaturated hydrogen bonded network generated from three-fold symmetric carbamates","CrystEngComm","2014","16","31","7176","","10.1039/C4CE00363B","","","1.54178","CuKα","","0.0338","0.0298","","","0.0768","0.0799","","","","","","1.059","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217397","21.294","0.0014","13.8436","0.001","9.823","0.0007","90","","91.467","0.004","90","","2894.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H45 N3 O6 -","- C27 H45 N3 O6 -","- C108 H180 N12 O24 -","4","1","","Wang, Zijun; Lee, Joseph; Oian, Casey; Hou, Xiaodong; Wang, Zhihan; Ugrinov, Angel; Singh, Rajiv K.; Wysocki, Erin; Chu, Qianli R.","An unsaturated hydrogen bonded network generated from three-fold symmetric carbamates","CrystEngComm","2014","16","31","7176","","10.1039/C4CE00363B","","","1.54178","CuKα","","0.0579","0.0487","","","0.1285","0.1336","","","","","","1.121","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217416","9.9574","0.0004","6.9766","0.0003","14.392","0.0006","90","","105.769","0.001","90","","962.17","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cl2 K4 O16 U5 -","- Cl2 K4 O16 U5 -","- Cl4 K8 O32 U10 -","2","0.5","","Read, Cory Michael; Yeon, Jeongho; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal growth, structural characterization, cation‒cation interaction classification, and optical properties of uranium(vi) containing oxychlorides, A4U5O16Cl2(A = K, Rb), Cs5U7O22Cl3, and AUO3Cl (A = Rb, Cs)","CrystEngComm","2014","16","31","7259","","10.1039/C4CE00281D","","","0.71073","MoKα","","0.0383","0.0292","","","0.0586","0.0613","","","","","","1.06","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217417","10.2164","0.0004","7.016","0.0003","14.493","0.0005","90","","103.829","0.001","90","","1008.72","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cl2 O16 Rb4 U5 -","- Cl2 O16 Rb4 U5 -","- Cl4 O32 Rb8 U10 -","2","0.5","","Read, Cory Michael; Yeon, Jeongho; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal growth, structural characterization, cation‒cation interaction classification, and optical properties of uranium(vi) containing oxychlorides, A4U5O16Cl2(A = K, Rb), Cs5U7O22Cl3, and AUO3Cl (A = Rb, Cs)","CrystEngComm","2014","16","31","7259","","10.1039/C4CE00281D","","","0.71073","MoKα","","0.0492","0.0348","","","0.0667","0.0709","","","","","","1.048","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217418","10.6214","0.0005","18.1071","0.0008","16.0857","0.0007","90","","102.985","0.001","90","","3014.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cl3 Cs5 O22 U7 -","- Cl3 Cs5 O22 U7 -","- Cl12 Cs20 O88 U28 -","4","1","","Read, Cory Michael; Yeon, Jeongho; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal growth, structural characterization, cation‒cation interaction classification, and optical properties of uranium(vi) containing oxychlorides, A4U5O16Cl2(A = K, Rb), Cs5U7O22Cl3, and AUO3Cl (A = Rb, Cs)","CrystEngComm","2014","16","31","7259","","10.1039/C4CE00281D","","","0.71073","MoKα","","0.0628","0.0409","","","0.0734","0.0808","","","","","","1.032","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217419","7.3602","0.0006","4.1127","0.0003","8.5556","0.0007","90","","104.602","0.002","90","","250.62","0.03","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cl O3 Rb U -","- Cl O3 Rb U -","- Cl2 O6 Rb2 U2 -","2","0.5","","Read, Cory Michael; Yeon, Jeongho; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal growth, structural characterization, cation‒cation interaction classification, and optical properties of uranium(vi) containing oxychlorides, A4U5O16Cl2(A = K, Rb), Cs5U7O22Cl3, and AUO3Cl (A = Rb, Cs)","CrystEngComm","2014","16","31","7259","","10.1039/C4CE00281D","","","0.71073","MoKα","","0.0357","0.0316","","","0.0685","0.0699","","","","","","1.181","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217420","7.7768","0.0004","4.1245","0.0002","8.7701","0.0005","90","","105.468","0.001","90","","271.12","0.02","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cl Cs O3 U -","- Cl Cs O3 U -","- Cl2 Cs2 O6 U2 -","2","0.5","","Read, Cory Michael; Yeon, Jeongho; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal growth, structural characterization, cation‒cation interaction classification, and optical properties of uranium(vi) containing oxychlorides, A4U5O16Cl2(A = K, Rb), Cs5U7O22Cl3, and AUO3Cl (A = Rb, Cs)","CrystEngComm","2014","16","31","7259","","10.1039/C4CE00281D","","","0.71073","MoKα","","0.0289","0.0256","","","0.0563","0.0575","","","","","","1.079","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217443","7.3579","0.0015","13.615","0.003","17.984","0.004","90","","101.78","0.03","90","","1763.7","0.7","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H3 Cl2 N2 S2 -","- C7 H3 Cl2 N2 S2 -","- C56 H24 Cl16 N16 S16 -","8","2","","Constantinides, Christos P.; Eisler, Dana J.; Alberola, A.; Carter, Emma; Murphy, Damien M.; Rawson, Jeremy M.","Weakening of the π*‒π* dimerisation in 1,2,3,5-dithiadiazolyl radicals: structural, EPR, magnetic and computational studies of dichlorophenyl dithiadiazolyls, Cl2C6H3CNSSN","CrystEngComm","2014","16","31","7298","","10.1039/C4CE00308J","","","0.71073","MoKα","","0.065","0.0432","","","0.079","0.0865","","","","","","1.061","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217444","15.057","0.003","7.2462","0.0014","15.986","0.003","90","","91.32","0.03","90","","1743.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H3 Cl2 N2 S2 -","- C7 H3 Cl2 N2 S2 -","- C56 H24 Cl16 N16 S16 -","8","4","","Constantinides, Christos P.; Eisler, Dana J.; Alberola, A.; Carter, Emma; Murphy, Damien M.; Rawson, Jeremy M.","Weakening of the π*‒π* dimerisation in 1,2,3,5-dithiadiazolyl radicals: structural, EPR, magnetic and computational studies of dichlorophenyl dithiadiazolyls, Cl2C6H3CNSSN","CrystEngComm","2014","16","31","7298","","10.1039/C4CE00308J","","","0.71073","MoKα","","0.0874","0.0556","","","0.1157","0.131","","","","","","1.115","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217445","7.3271","0.0002","10.3563","0.0003","24.6666","0.0007","88.096","0.002","81.458","0.002","77.009","0.001","1803.6","0.09","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H3 Cl2 N2 S2 -","- C7 H3 Cl2 N2 S2 -","- C56 H24 Cl16 N16 S16 -","8","4","","Constantinides, Christos P.; Eisler, Dana J.; Alberola, A.; Carter, Emma; Murphy, Damien M.; Rawson, Jeremy M.","Weakening of the π*‒π* dimerisation in 1,2,3,5-dithiadiazolyl radicals: structural, EPR, magnetic and computational studies of dichlorophenyl dithiadiazolyls, Cl2C6H3CNSSN","CrystEngComm","2014","16","31","7298","","10.1039/C4CE00308J","","","0.71073","MoKα","","0.071","0.0491","","","0.1003","0.1119","","","","","","1.05","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217446","7.2196","0.0004","11.8203","0.0006","20.893","0.001","90","","97.366","0.002","90","","1768.25","0.16","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H3 Cl2 N2 S2 -","- C7 H3 Cl2 N2 S2 -","- C56 H24 Cl16 N16 S16 -","8","2","","Constantinides, Christos P.; Eisler, Dana J.; Alberola, A.; Carter, Emma; Murphy, Damien M.; Rawson, Jeremy M.","Weakening of the π*‒π* dimerisation in 1,2,3,5-dithiadiazolyl radicals: structural, EPR, magnetic and computational studies of dichlorophenyl dithiadiazolyls, Cl2C6H3CNSSN","CrystEngComm","2014","16","31","7298","","10.1039/C4CE00308J","","","0.71073","MoKα","","0.0624","0.0476","","","0.121","0.1289","","","","","","1.057","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217447","7.2604","0.0015","20.872","0.004","36.565","0.007","98.49","0.03","95.63","0.03","95.1","0.03","5424","2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H3 Cl2 N2 S2 -","- C7 H3 Cl2 N2 S2 -","- C168 H72 Cl48 N48 S48 -","24","12","","Constantinides, Christos P.; Eisler, Dana J.; Alberola, A.; Carter, Emma; Murphy, Damien M.; Rawson, Jeremy M.","Weakening of the π*‒π* dimerisation in 1,2,3,5-dithiadiazolyl radicals: structural, EPR, magnetic and computational studies of dichlorophenyl dithiadiazolyls, Cl2C6H3CNSSN","CrystEngComm","2014","16","31","7298","","10.1039/C4CE00308J","","","0.71073","MoKα","","0.1763","0.1437","","","0.2447","0.2565","","","","","","1.324","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217450","24.1816","0.0006","10.4269","0.0003","11.7456","0.0003","90","","90","","90","","2961.53","0.14","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C35 H36 Cl2 N4 O -","- C35 H36 Cl2 N4 O -","- C140 H144 Cl8 N16 O4 -","4","1","","Cross, Jacob T.; Rossi, Nicholas A.; Serafin, Mateusz; Wheeler, Kraig A.","Tröger's base quasiracemates and crystal packing tendencies","CrystEngComm","2014","16","31","7251","","10.1039/C4CE00323C","","","1.54178","CuKα","","0.0553","0.0399","","","0.0911","0.0999","","","","","","0.94","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217451","6.3103","0.0002","10.254","0.0003","10.7089","0.0003","83.053","0.001","77.266","0.002","80.846","0.001","664.62","0.03","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H24 Br2 Cl2 N4 -","- C30 H24 Br2 Cl2 N4 -","- C30 H24 Br2 Cl2 N4 -","1","1","","Cross, Jacob T.; Rossi, Nicholas A.; Serafin, Mateusz; Wheeler, Kraig A.","Tröger's base quasiracemates and crystal packing tendencies","CrystEngComm","2014","16","31","7251","","10.1039/C4CE00323C","","","1.54178","CuKα","","0.0319","0.0316","","","0.093","0.0934","","","","","","1.11","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217452","6.0409","0.0002","8.0224","0.0003","27.0534","0.001","90","","90","","90","","1311.08","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16.36 H16.07 Cl0.64 N2 -","- C16.356 H16.068 Cl0.644 N2 -","- C65.424 H64.272 Cl2.576 N8 -","4","1","","Cross, Jacob T.; Rossi, Nicholas A.; Serafin, Mateusz; Wheeler, Kraig A.","Tröger's base quasiracemates and crystal packing tendencies","CrystEngComm","2014","16","31","7251","","10.1039/C4CE00323C","","","1.54178","CuKα","","0.0418","0.0376","","","0.0898","0.0914","","","","","","1.191","","","","has coordinates,has disorder","180505","2020-10-21","18:00:00",""
"7217453","6.3568","0.0004","10.4138","0.0007","10.7105","0.0007","82.302","0.004","75.969","0.003","82.058","0.003","677.53","0.08","120","2","120","2","","","","","","","","4","P 1","P 1","1","","","","- C31.23 H27.68 Br2.74 N4 -","- C31.226 H27.678 Br2.736 N4 -","- C31.226 H27.678 Br2.736 N4 -","1","1","","Cross, Jacob T.; Rossi, Nicholas A.; Serafin, Mateusz; Wheeler, Kraig A.","Tröger's base quasiracemates and crystal packing tendencies","CrystEngComm","2014","16","31","7251","","10.1039/C4CE00323C","","","0.71073","MoKα","","0.0434","0.0376","","","0.0934","0.096","","","","","","1.027","","","","has coordinates,has disorder","180505","2020-10-21","18:00:00",""
"7217454","7.8192","0.0002","9.8988","0.0003","18.2061","0.0005","78.154","0.002","79.977","0.002","72.633","0.001","1306.65","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H12 Cl2 N2 -","- C15 H12 Cl2 N2 -","- C60 H48 Cl8 N8 -","4","2","","Cross, Jacob T.; Rossi, Nicholas A.; Serafin, Mateusz; Wheeler, Kraig A.","Tröger's base quasiracemates and crystal packing tendencies","CrystEngComm","2014","16","31","7251","","10.1039/C4CE00323C","","","0.71073","MoKα","","0.0296","0.0243","","","0.0591","0.0623","","","","","","1.046","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217455","6.0853","0.0005","13.6203","0.0014","16.017","0.002","90","","92.009","0.009","90","","1326.7","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 Cl2 N2 -","- C15 H12 Cl2 N2 -","- C60 H48 Cl8 N8 -","4","1","","Cross, Jacob T.; Rossi, Nicholas A.; Serafin, Mateusz; Wheeler, Kraig A.","Tröger's base quasiracemates and crystal packing tendencies","CrystEngComm","2014","16","31","7251","","10.1039/C4CE00323C","","","0.71073","MoKα","","0.0641","0.0406","","","0.0918","0.1026","","","","","","1.051","","","","has coordinates,has disorder","301864","2025-08-22","15:14:36",""
"7217456","8.4113","0.0001","9.0495","0.0001","25.1456","0.0003","90","","90","","90","","1914.03","0.04","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Br2 Cl4 N2 -","- C16 H14 Br2 Cl4 N2 -","- C64 H56 Br8 Cl16 N8 -","4","1","","Cross, Jacob T.; Rossi, Nicholas A.; Serafin, Mateusz; Wheeler, Kraig A.","Tröger's base quasiracemates and crystal packing tendencies","CrystEngComm","2014","16","31","7251","","10.1039/C4CE00323C","","","1.54178","CuKα","","0.028","0.0278","","","0.094","0.094","","","","","","1.222","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217457","5.7702","0.0001","15.3388","0.0002","13.9156","0.0002","90","","94.316","0.001","90","","1228.15","0.03","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cl2 N2 -","- C14 H10 Cl2 N2 -","- C56 H40 Cl8 N8 -","4","1","","Cross, Jacob T.; Rossi, Nicholas A.; Serafin, Mateusz; Wheeler, Kraig A.","Tröger's base quasiracemates and crystal packing tendencies","CrystEngComm","2014","16","31","7251","","10.1039/C4CE00323C","","","1.54178","CuKα","","0.0518","0.0382","","","0.0958","0.1035","","","","","","1.052","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217600","11.7903","0.0015","9.314","0.0013","14.652","0.002","90","","94.385","0.002","90","","1604.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16.6 Co N2 O7.3 P2 -","- C12 H16 Co N2 O7.3 P2 -","- C48 H64 Co4 N8 O29.2 P8 -","4","1","","Tang, Si-Fu; Li, Liang-Jun; Wang, Chao; Zhao, Xue-Bo","Investigation of the structure variation of metal diphosphonates with the changing of N-donor auxiliary ligands and their properties","CrystEngComm","2014","16","38","9104","","10.1039/C4CE01266F","","","0.71073","MoKα","","0.0508","0.039","","","0.0941","0.1018","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217601","17.119","0.002","8.9053","0.0012","12.389","0.0017","90","","124.674","0.002","90","","1553.3","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 N2 Ni O8 P2 -","- C12 H18 N2 Ni O8 P2 -","- C48 H72 N8 Ni4 O32 P8 -","4","0.5","","Tang, Si-Fu; Li, Liang-Jun; Wang, Chao; Zhao, Xue-Bo","Investigation of the structure variation of metal diphosphonates with the changing of N-donor auxiliary ligands and their properties","CrystEngComm","2014","16","38","9104","","10.1039/C4CE01266F","","","0.71073","MoKα","","0.0353","0.0319","","","0.0831","0.0851","","","","","","1.064","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217602","23.7747","0.0014","23.7747","0.0014","28.216","0.004","90","","90","","120","","13812","2","296","2","296","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C28 H30 N4 Ni O8 P2 -","- C28 H30 N4 Ni O8 P2 -","- C504 H540 N72 Ni18 O144 P36 -","18","1","","Tang, Si-Fu; Li, Liang-Jun; Wang, Chao; Zhao, Xue-Bo","Investigation of the structure variation of metal diphosphonates with the changing of N-donor auxiliary ligands and their properties","CrystEngComm","2014","16","38","9104","","10.1039/C4CE01266F","","","0.71073","MoKα","","0.1272","0.0666","","","0.1512","0.1891","","","","","","1.013","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217603","10.3111","0.0016","10.7447","0.0017","11.805","0.002","71.192","0.004","65.659","0.004","83.226","0.004","1127.8","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 N2 Ni O9 P2 -","- C18 H24 N2 Ni O9 P2 -","- C36 H48 N4 Ni2 O18 P4 -","2","1","","Tang, Si-Fu; Li, Liang-Jun; Wang, Chao; Zhao, Xue-Bo","Investigation of the structure variation of metal diphosphonates with the changing of N-donor auxiliary ligands and their properties","CrystEngComm","2014","16","38","9104","","10.1039/C4CE01266F","","","0.71073","MoKα","","0.1078","0.0586","","","0.115","0.1341","","","","","","0.973","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217604","10.3161","0.0014","11.508","0.003","12.0717","0.0016","105.48","0.003","109.935","0.002","101.391","0.004","1230.8","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H28 N2 Ni O10 P2 -","- C20 H28 N2 Ni O10 P2 -","- C40 H56 N4 Ni2 O20 P4 -","2","1","","Tang, Si-Fu; Li, Liang-Jun; Wang, Chao; Zhao, Xue-Bo","Investigation of the structure variation of metal diphosphonates with the changing of N-donor auxiliary ligands and their properties","CrystEngComm","2014","16","38","9104","","10.1039/C4CE01266F","","","0.71073","MoKα","","0.0879","0.0492","","","0.1002","0.1115","","","","","","0.979","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217605","16.906","0.011","8.996","0.006","12.435","0.008","90","","125.406","0.012","90","","1541.5","1.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Cu N2 O8 P2 -","- C12 H18 Cu N2 O8 P2 -","- C48 H72 Cu4 N8 O32 P8 -","4","0.5","","Tang, Si-Fu; Li, Liang-Jun; Wang, Chao; Zhao, Xue-Bo","Investigation of the structure variation of metal diphosphonates with the changing of N-donor auxiliary ligands and their properties","CrystEngComm","2014","16","38","9104","","10.1039/C4CE01266F","","","0.71073","MoKα","","0.0628","0.0442","","","0.1019","0.1104","","","","","","1.056","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217606","7.309","0.003","8.365","0.004","9.315","0.004","97.459","0.006","112.125","0.006","90.768","0.007","521.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 Cu N2 O8 P2 -","- C18 H22 Cu N2 O8 P2 -","- C18 H22 Cu N2 O8 P2 -","1","0.5","","Tang, Si-Fu; Li, Liang-Jun; Wang, Chao; Zhao, Xue-Bo","Investigation of the structure variation of metal diphosphonates with the changing of N-donor auxiliary ligands and their properties","CrystEngComm","2014","16","38","9104","","10.1039/C4CE01266F","","","0.71073","MoKα","","0.0745","0.0519","","","0.1276","0.1352","","","","","","1.064","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217607","9.1979","0.0007","10.0023","0.0009","12.2994","0.0009","85.738","0.003","77.906","0.002","65.089","0.003","1003.37","0.14","275","2","275","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 N2 O6 P2 Zn -","- C18 H18 N2 O6 P2 Zn -","- C36 H36 N4 O12 P4 Zn2 -","2","1","","Tang, Si-Fu; Li, Liang-Jun; Wang, Chao; Zhao, Xue-Bo","Investigation of the structure variation of metal diphosphonates with the changing of N-donor auxiliary ligands and their properties","CrystEngComm","2014","16","38","9104","","10.1039/C4CE01266F","","","0.71073","MoKα","","0.0752","0.0416","","","0.0817","0.0891","","","","","","1.02","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217608","17.447","0.002","8.7795","0.0011","12.845","0.003","90","","123.703","0.001","90","","1636.8","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Cd N2 O8 P2 -","- C12 H18 Cd N2 O8 P2 -","- C48 H72 Cd4 N8 O32 P8 -","4","0.5","","Tang, Si-Fu; Li, Liang-Jun; Wang, Chao; Zhao, Xue-Bo","Investigation of the structure variation of metal diphosphonates with the changing of N-donor auxiliary ligands and their properties","CrystEngComm","2014","16","38","9104","","10.1039/C4CE01266F","","","0.71073","MoKα","","0.0368","0.0296","","","0.0724","0.0761","","","","","","1.039","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217627","29.627","0.003","29.627","0.003","29.627","","90","","90","","90","","26005","4","293","2","293","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C75 H38 Cu6 N6 O36 -","- C75 H39 Cu6 N6 O36 -","- C600 H312 Cu48 N48 O288 -","8","0.25","","Zheng, Baishu; Lin, Xiu; Wang, Zhaoxu; Yun, Ruirui; Fan, Yanpeng; Ding, Mingsheng; Hu, Xiaolian; Yi, Pinggui","Enhanced water stability of a microporous acylamide-functionalized metal‒organic framework via interpenetration and methyl decoration","CrystEngComm","2014","16","41","9586","","10.1039/C4CE01165A","","","0.71073","MoKα","","0.1257","0.0958","","","0.3059","0.3233","","","","","","1.199","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217628","10.4839","0.0018","11.84","0.003","14.034","0.002","105.645","0.011","101.222","0.009","112.358","0.005","1462.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19 Fe2 N5 O9 -","- C26 H19 Fe2 N5 O9 -","- C52 H38 Fe4 N10 O18 -","2","1","","Li, Qipeng; Tian, Chongbin; Zhang, Huabin; Qian, Jinjie; Du, Shaowu","An alternative strategy to construct Fe(ii)-based MOFs with multifarious structures and magnetic behaviors","CrystEngComm","2014","16","39","9208","","10.1039/C4CE01414F","","","0.71073","MoKα","","0.043","0.0352","","","0.1121","0.1268","","","","","","1.043","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217629","10.996","0.004","10.359","0.004","7.723","0.003","90","","102.018","0.006","90","","860.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 Fe N O6 -","- C7 H7 Fe N O6 -","- C28 H28 Fe4 N4 O24 -","4","1","","Li, Qipeng; Tian, Chongbin; Zhang, Huabin; Qian, Jinjie; Du, Shaowu","An alternative strategy to construct Fe(ii)-based MOFs with multifarious structures and magnetic behaviors","CrystEngComm","2014","16","39","9208","","10.1039/C4CE01414F","","","0.71073","MoKα","","0.0459","0.0381","","","0.0949","0.0975","","","","","","1.138","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217630","7.137","0.003","7.968","0.003","9.108","0.004","75.892","0.017","68.644","0.015","76.345","0.016","461.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H7 Fe N O7 -","- C7 H7 Fe N O7 -","- C14 H14 Fe2 N2 O14 -","2","1","","Li, Qipeng; Tian, Chongbin; Zhang, Huabin; Qian, Jinjie; Du, Shaowu","An alternative strategy to construct Fe(ii)-based MOFs with multifarious structures and magnetic behaviors","CrystEngComm","2014","16","39","9208","","10.1039/C4CE01414F","","","0.71073","MoKα","","0.0323","0.03","","","0.1144","0.1191","","","","","","1.065","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217631","10.1761","0.0009","5.9639","0.0005","13.3111","0.0014","90","","96.591","0.006","90","","802.5","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H4 Fe N2 O4 -","- C9 H4 Fe N2 O4 -","- C36 H16 Fe4 N8 O16 -","4","1","","Li, Qipeng; Tian, Chongbin; Zhang, Huabin; Qian, Jinjie; Du, Shaowu","An alternative strategy to construct Fe(ii)-based MOFs with multifarious structures and magnetic behaviors","CrystEngComm","2014","16","39","9208","","10.1039/C4CE01414F","","","0.71073","MoKα","","0.0442","0.0364","","","0.1064","0.1207","","","","","","0.963","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217632","9.345","0.009","6.916","0.004","14.615","0.009","90","","104.44","0.05","90","","914.7","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 Fe N2 O5 -","- C9 H6 Fe N2 O5 -","- C36 H24 Fe4 N8 O20 -","4","1","","Li, Qipeng; Tian, Chongbin; Zhang, Huabin; Qian, Jinjie; Du, Shaowu","An alternative strategy to construct Fe(ii)-based MOFs with multifarious structures and magnetic behaviors","CrystEngComm","2014","16","39","9208","","10.1039/C4CE01414F","","","0.71073","MoKα","","0.0387","0.0331","","","0.1135","0.1237","","","","","","1.05","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217633","7.292","0.003","10.07","0.004","10.272","0.004","113.983","0.003","99.683","0.001","103.652","0.005","639.4","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 Fe N O6 -","- C13 H11 Fe N O6 -","- C26 H22 Fe2 N2 O12 -","2","1","","Li, Qipeng; Tian, Chongbin; Zhang, Huabin; Qian, Jinjie; Du, Shaowu","An alternative strategy to construct Fe(ii)-based MOFs with multifarious structures and magnetic behaviors","CrystEngComm","2014","16","39","9208","","10.1039/C4CE01414F","","","0.71073","MoKα","","0.0407","0.0365","","","0.1217","0.1276","","","","","","1.04","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217645","7.702","0.0019","11.163","0.003","11.884","0.003","106.861","0.002","92.79","0.002","94.258","0.002","972.5","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H18 Cu F20 O6 -","- C44 H18 Cu F20 O6 -","- C44 H18 Cu F20 O6 -","1","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.03","0.0271","","","0.071","0.0729","","","","","","1.056","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217646","14.845","0.003","31.844","0.007","10.082","0.002","90","","111.011","0.002","90","","4449.1","1.6","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H26 Cu F20 O4 -","- C48 H26 Cu F20 O4 -","- C192 H104 Cu4 F80 O16 -","4","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.036","0.0299","","","0.0785","0.0822","","","","","","1.045","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217647","7.319","0.003","9.625","0.003","12.998","0.005","82.099","0.004","76.943","0.004","88.95","0.004","883.4","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H16 Cu F20 O4 -","- C40 H16 Cu F20 O4 -","- C40 H16 Cu F20 O4 -","1","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0368","0.0322","","","0.0816","0.0847","","","","","","1.059","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217648","9.8602","0.0012","16.961","0.002","24.948","0.003","90","","90","","90","","4172.3","0.9","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C46 H22 Cu F20 O4 -","- C46 H22 Cu F20 O4 -","- C184 H88 Cu4 F80 O16 -","4","1","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0284","0.025","","","0.0623","0.0642","","","","","","1.019","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217649","7.7727","0.0017","12.309","0.003","12.672","0.003","65.03","0.002","85.208","0.002","79.032","0.002","1079","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H22 Cu F20 O8 -","- C46 H22 Cu F20 O8 -","- C46 H22 Cu F20 O8 -","1","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0367","0.0299","","","0.0743","0.0785","","","","","","1.041","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217650","12.3918","0.0008","10.5445","0.0006","10.1291","0.0006","90","","91.106","0.001","90","","1323.28","0.14","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H6 Cu F16 O4 -","- C30 H6 Cu F16 O4 -","- C60 H12 Cu2 F32 O8 -","2","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0318","0.0272","","","0.0676","0.0699","","","","","","1.091","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217651","8.8327","0.0004","20.6413","0.001","10.515","0.0005","90","","106.655","0.001","90","","1836.65","0.15","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H18 Cu F16 O4 -","- C42 H18 Cu F16 O4 -","- C84 H36 Cu2 F32 O8 -","2","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0299","0.027","","","0.0716","0.0731","","","","","","1.047","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217652","7.728","0.002","11.089","0.003","12.681","0.004","106.688","0.003","104.543","0.003","92.432","0.003","999.9","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H22 Cu F16 O6 -","- C44 H22 Cu F16 O6 -","- C44 H22 Cu F16 O6 -","1","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0292","0.0269","","","0.0721","0.0739","","","","","","1.067","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217653","29.351","0.003","10.5754","0.0012","21.985","0.003","90","","96.857","0.001","90","","6775.3","1.4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H16 Cu F16 O4 -","- C38 H16 Cu F16 O4 -","- C304 H128 Cu8 F128 O32 -","8","1","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0721","0.0374","","","0.0765","0.0901","","","","","","1.003","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217654","8.0572","0.0014","23.306","0.004","10.5652","0.0018","90","","105.83","0.002","90","","1908.7","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H22 Cu F16 O4 -","- C44 H22 Cu F16 O4 -","- C88 H44 Cu2 F32 O8 -","2","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.038","0.0314","","","0.0767","0.0801","","","","","","1.04","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217655","7.225","0.002","10.922","0.004","16.756","0.005","88.023","0.004","86.76","0.003","86.128","0.004","1316.5","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H10 Cu F12 O4 -","- C30 H10 Cu F12 O4 -","- C60 H20 Cu2 F24 O8 -","2","1","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0388","0.0291","","","0.0707","0.0752","","","","","","1.019","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217656","8.706","0.0014","17.782","0.003","23.038","0.004","90","","99.888","0.002","90","","3513.5","1","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H22 Cu F12 O4 -","- C42 H22 Cu F12 O4 -","- C168 H88 Cu4 F48 O16 -","4","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.056","0.0422","","","0.0999","0.1069","","","","","","1.025","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217657","7.126","0.0015","11.308","0.002","13.124","0.003","111.308","0.002","95.096","0.002","100.13","0.002","956.3","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H26 Cu F12 O6 -","- C44 H26 Cu F12 O6 -","- C44 H26 Cu F12 O6 -","1","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.033","0.0299","","","0.0802","0.0823","","","","","","1.033","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217658","7.4012","0.0005","25.6642","0.0016","17.3466","0.0011","90","","93.996","0.001","90","","3286.9","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H20 Cu F12 O4 -","- C38 H20 Cu F12 O4 -","- C152 H80 Cu4 F48 O16 -","4","1","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0595","0.0368","","","0.0902","0.1057","","","","","","1.055","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217659","7.0546","0.0011","9.8563","0.0015","16.396","0.003","73.042","0.002","88.21","0.002","71.792","0.002","1033.6","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H34 Cu F12 O4 -","- C48 H34 Cu F12 O4 -","- C48 H34 Cu F12 O4 -","1","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0333","0.0286","","","0.0734","0.0763","","","","","","1.037","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217660","7.1345","0.0005","7.3565","0.0005","12.0946","0.0008","97.506","0.001","100.942","0.001","94.594","0.001","614.31","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H14 Cu F8 O4 -","- C30 H14 Cu F8 O4 -","- C30 H14 Cu F8 O4 -","1","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0257","0.0244","","","0.063","0.0637","","","","","","1.049","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217661","8.8091","0.0004","9.6702","0.0004","12.4941","0.0005","93.7","0.002","97.546","0.002","101.939","0.002","1027.65","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Iressa","Gefitinib","","- C22 H24 Cl F N4 O3 -","- C22 H24 Cl F N4 O3 -","- C44 H48 Cl2 F2 N8 O6 -","2","1","","Thorat, Shridhar H.; Patwadkar, Manjusha V.; Gonnade, Rajesh G.; Vaidhyanathan, R.","Capturing a novel metastable polymorph of the anticancer drug gefitinib","CrystEngComm","2014","16","37","8638","","10.1039/C4CE01446D","","","0.71073","MoKα","","0.0297","0.0277","","","0.0718","0.0738","","","","","","1.019","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217662","7.1645","0.0002","10.8025","0.0003","14.3429","0.0004","80.302","0.001","75.662","0.001","89.267","0.001","1059.63","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Iressa","Gefitinib","","- C22 H24 Cl F N4 O3 -","- C22 H24 Cl F N4 O3 -","- C44 H48 Cl2 F2 N8 O6 -","2","1","","Thorat, Shridhar H.; Patwadkar, Manjusha V.; Gonnade, Rajesh G.; Vaidhyanathan, R.","Capturing a novel metastable polymorph of the anticancer drug gefitinib","CrystEngComm","2014","16","37","8638","","10.1039/C4CE01446D","","","1.54178","CuKα","","0.0373","0.0328","","","0.0859","0.0885","","","","","","1.109","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217665","11.734","0.005","11.967","0.005","12.461","0.005","90","","114.528","0.007","90","","1591.9","1.1","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Fe N13 O -","- C34 H18 Fe N13 O -","- C68 H36 Fe2 N26 O2 -","2","0.5","","Xu, Lei; Wang, Jintao; Xu, Yan; Zhang, Zaiyong; Lu, Ping; Fang, Min; Li, Shunli; Sun, Peipei; Liu, Hong-Ke","A new strategy to construct metal‒organic frameworks with ultrahigh chemical stability","CrystEngComm","2014","16","37","8656","","10.1039/C4CE01218F","","","0.71073","MoKα","","0.1353","0.0887","","","0.2326","0.2637","","","","","","1.052","","","","has coordinates,has disorder","180507","2020-10-21","18:00:00",""
"7217666","3.8884","0.0006","14.2024","0.0015","28.643","0.003","90","","90","","90","","1581.8","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H14 Cl N O -","- C23 H14 Cl N O -","- C92 H56 Cl4 N4 O4 -","4","1","","Safin, Damir A.; Bolte, Michael; Garcia, Yann","Solid-state photochromism and thermochromism of N-salicylidene pyrene derivatives","CrystEngComm","2014","16","37","8786","","10.1039/C4CE01325E","","","0.71073","MoKα","","0.0641","0.0488","","","0.1147","0.1211","","","","","","1.007","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217667","3.9311","0.0003","14.2544","0.0009","28.777","0.003","90","","90","","90","","1612.5","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H14 Br N O -","- C23 H14 Br N O -","- C92 H56 Br4 N4 O4 -","4","1","","Safin, Damir A.; Bolte, Michael; Garcia, Yann","Solid-state photochromism and thermochromism of N-salicylidene pyrene derivatives","CrystEngComm","2014","16","37","8786","","10.1039/C4CE01325E","","","0.71073","MoKα","","0.0801","0.0722","","","0.1333","0.1375","","","","","","1.117","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217668","7.874","0.0013","8.367","0.0014","13.195","0.002","91.615","0.014","103.438","0.013","90.08","0.014","845.1","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H13 Cl2 N O -","- C23 H13 Cl2 N O -","- C46 H26 Cl4 N2 O2 -","2","1","","Safin, Damir A.; Bolte, Michael; Garcia, Yann","Solid-state photochromism and thermochromism of N-salicylidene pyrene derivatives","CrystEngComm","2014","16","37","8786","","10.1039/C4CE01325E","","","0.71073","MoKα","","0.0613","0.0476","","","0.1187","0.1249","","","","","","1.048","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217669","24.1672","0.0015","4.0091","0.0002","17.5905","0.0012","90","","90","","90","","1704.32","0.18","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H13 Br2 N O -","- C23 H13 Br2 N O -","- C92 H52 Br8 N4 O4 -","4","1","","Safin, Damir A.; Bolte, Michael; Garcia, Yann","Solid-state photochromism and thermochromism of N-salicylidene pyrene derivatives","CrystEngComm","2014","16","37","8786","","10.1039/C4CE01325E","","","0.71073","MoKα","","0.039","0.0348","","","0.0737","0.0752","","","","","","1.039","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217670","25.4","0.002","14.8069","0.0011","9.0424","0.0006","90","","100.146","0.006","90","","3347.6","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N O2 -","- C24 H17 N O2 -","- C192 H136 N8 O16 -","8","2","","Safin, Damir A.; Bolte, Michael; Garcia, Yann","Solid-state photochromism and thermochromism of N-salicylidene pyrene derivatives","CrystEngComm","2014","16","37","8786","","10.1039/C4CE01325E","","","0.71073","MoKα","","0.1044","0.0736","","","0.1328","0.1438","","","","","","1.094","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217680","4.7556","0.0002","5.803","0.0004","39.1558","0.0019","90","","90.537","0.004","90","","1080.53","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Ni O4 S4 -","- C20 H22 Ni O4 S4 -","- C40 H44 Ni2 O8 S8 -","2","0.5","","Gupta, Ajit N.; Kumar, Vinod; Singh, Vikram; Manar, Krishna K.; Drew, Michael G. B.; Singh, Nanhai","Intermolecular anagostic interactions in group 10 metal dithiocarbamates","CrystEngComm","2014","16","39","9299","","10.1039/C4CE01263A","","","0.71073","MoKα","","0.0791","0.0583","","","0.1021","0.1096","","","","","","1.092","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217681","6.264","0.0013","6.4556","0.0014","14.969","0.003","78.985","0.017","86.378","0.016","86.602","0.017","592.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 N2 Ni O4 S4 -","- C18 H28 N2 Ni O4 S4 -","- C18 H28 N2 Ni O4 S4 -","1","0.5","","Gupta, Ajit N.; Kumar, Vinod; Singh, Vikram; Manar, Krishna K.; Drew, Michael G. B.; Singh, Nanhai","Intermolecular anagostic interactions in group 10 metal dithiocarbamates","CrystEngComm","2014","16","39","9299","","10.1039/C4CE01263A","","","0.71073","MoKα","","0.1038","0.0564","","","0.1313","0.1591","","","","","","0.963","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217682","5.6942","0.0009","18.8463","0.0014","10.81","0.0007","90","","90.696","0.009","90","","1160","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 Ni O4 S4 -","- C22 H20 N2 Ni O4 S4 -","- C44 H40 N4 Ni2 O8 S8 -","2","0.5","","Gupta, Ajit N.; Kumar, Vinod; Singh, Vikram; Manar, Krishna K.; Drew, Michael G. B.; Singh, Nanhai","Intermolecular anagostic interactions in group 10 metal dithiocarbamates","CrystEngComm","2014","16","39","9299","","10.1039/C4CE01263A","","","0.71073","MoKα","","0.1001","0.0588","","","0.0977","0.1114","","","","","","0.982","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217683","6.503","0.006","10.171","0.009","11.709","0.01","75.41","0.08","80.37","0.08","72.19","0.08","710.1","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 N4 Pd S4 -","- C28 H26 N4 Pd S4 -","- C28 H26 N4 Pd S4 -","1","0.5","","Gupta, Ajit N.; Kumar, Vinod; Singh, Vikram; Manar, Krishna K.; Drew, Michael G. B.; Singh, Nanhai","Intermolecular anagostic interactions in group 10 metal dithiocarbamates","CrystEngComm","2014","16","39","9299","","10.1039/C4CE01263A","","","0.71073","MoKα","","0.1376","0.0775","","","0.1631","0.2144","","","","","","0.93","","","","has coordinates,has disorder","301864","2025-08-22","15:14:36",""
"7217684","5.7453","0.0003","19.0518","0.001","11.076","0.0007","90","","91.441","0.004","90","","1211.98","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 O4 Pt S4 -","- C22 H20 N2 O4 Pt S4 -","- C44 H40 N4 O8 Pt2 S8 -","2","0.5","","Gupta, Ajit N.; Kumar, Vinod; Singh, Vikram; Manar, Krishna K.; Drew, Michael G. B.; Singh, Nanhai","Intermolecular anagostic interactions in group 10 metal dithiocarbamates","CrystEngComm","2014","16","39","9299","","10.1039/C4CE01263A","","","0.71073","MoKα","","0.066","0.0378","","","0.059","0.0671","","","","","","0.927","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217685","18.8991","0.0014","15.5229","0.0011","9.0702","0.0007","90","","90","","90","","2660.9","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H22 Er2 N2 O16 -","- C24 H22 Er2 N2 O16 -","- C96 H88 Er8 N8 O64 -","4","1","","Fan, Liming; Fan, Weiliu; Song, Weikuo; Liu, Guangzeng; Zhang, Xiutang; Zhao, Xian","Syntheses, topologies, and luminescence of four Ln‒organic polymers constructed from aromatic tetracarboxylic acids","CrystEngComm","2014","16","39","9191","","10.1039/C4CE01139B","","","0.71073","MoKα","","0.0233","0.0228","","","0.0543","0.0546","","","","","","1.001","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217686","18.825","0.014","15.373","0.011","9.047","0.007","90","","90","","90","","2618","3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H22 N2 O16 Yb2 -","- C24 H22 N2 O16 Yb2 -","- C96 H88 N8 O64 Yb8 -","4","1","","Fan, Liming; Fan, Weiliu; Song, Weikuo; Liu, Guangzeng; Zhang, Xiutang; Zhao, Xian","Syntheses, topologies, and luminescence of four Ln‒organic polymers constructed from aromatic tetracarboxylic acids","CrystEngComm","2014","16","39","9191","","10.1039/C4CE01139B","","","0.71073","MoKα","","0.0403","0.0376","","","0.0614","0.0621","","","","","","0.997","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217687","19.116","0.007","15.714","0.006","9.069","0.004","90","","90","","90","","2724.2","1.9","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H22 N2 O16 Sm2 -","- C24 H22 N2 O16 Sm2 -","- C96 H88 N8 O64 Sm8 -","4","1","","Fan, Liming; Fan, Weiliu; Song, Weikuo; Liu, Guangzeng; Zhang, Xiutang; Zhao, Xian","Syntheses, topologies, and luminescence of four Ln‒organic polymers constructed from aromatic tetracarboxylic acids","CrystEngComm","2014","16","39","9191","","10.1039/C4CE01139B","","","0.71073","MoKα","","0.0297","0.0282","","","0.067","0.0676","","","","","","0.998","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217688","6.4355","0.0012","13.462","0.002","13.753","0.002","61.532","0.002","82.433","0.003","81.244","0.002","1032.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H15 Gd O10 -","- C22 H15 Gd O10 -","- C44 H30 Gd2 O20 -","2","1","","Fan, Liming; Fan, Weiliu; Song, Weikuo; Liu, Guangzeng; Zhang, Xiutang; Zhao, Xian","Syntheses, topologies, and luminescence of four Ln‒organic polymers constructed from aromatic tetracarboxylic acids","CrystEngComm","2014","16","39","9191","","10.1039/C4CE01139B","","","0.71073","MoKα","","0.0217","0.0212","","","0.0608","0.0611","","","","","","1","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217689","11.8863","0.0044","15.3948","0.0059","10.5539","0.004","90","","95.0116","0.0023","90","","1923.8","1.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H24 F3 N3 O3 -","- C18 H24 F3 N3 O3 -","- C72 H96 F12 N12 O12 -","4","2","","Zehe, Christoph; Schmidt, Marko; Siegel, Renée; Kreger, Klaus; Daebel, Venita; Ganzleben, Sandra; Schmidt, Hans-Werner; Senker, Jürgen","Influence of fluorine side-group substitution on the crystal structure formation of benzene-1,3,5-trisamides","CrystEngComm","2014","16","39","9273","","10.1039/C4CE01077A","","","1.54056","CuKα1","","","","","","","","","","","","","","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217690","7.8644","0.0002","23.7196","0.0005","10.4242","0.0002","90","","96.213","0.003","90","","1933.11","0.07","176","2","176.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N3 O5 -","- C20 H23 N3 O5 -","- C80 H92 N12 O20 -","4","1","","Salorinne, Kirsi; Lahtinen, Tanja; Marjomäki, Varpu; Häkkinen, Hannu","Polymorphic and solvate structures of ethyl ester and carboxylic acid derivatives of WIN 61893 analogue and their stability in solution","CrystEngComm","2014","16","38","9001","","10.1039/C4CE01152J","","","0.7107","MoKα","","0.0825","0.053","","","0.1184","0.1328","","","","","","1.053","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217691","18.6194","0.0005","8.3392","0.0002","12.7669","0.0003","90","","100.331","0.003","90","","1950.19","0.09","170","2","170.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N3 O5 -","- C20 H23 N3 O5 -","- C80 H92 N12 O20 -","4","1","","Salorinne, Kirsi; Lahtinen, Tanja; Marjomäki, Varpu; Häkkinen, Hannu","Polymorphic and solvate structures of ethyl ester and carboxylic acid derivatives of WIN 61893 analogue and their stability in solution","CrystEngComm","2014","16","38","9001","","10.1039/C4CE01152J","","","0.7107","MoKα","","0.084","0.0596","","","0.1498","0.1674","","","","","","1.052","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217692","8.3029","0.0003","45.5165","0.0017","11.0152","0.0004","90","","103.692","0.004","90","","4044.6","0.3","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N3 O6 -","- C20 H25 N3 O6 -","- C160 H200 N24 O48 -","8","2","","Salorinne, Kirsi; Lahtinen, Tanja; Marjomäki, Varpu; Häkkinen, Hannu","Polymorphic and solvate structures of ethyl ester and carboxylic acid derivatives of WIN 61893 analogue and their stability in solution","CrystEngComm","2014","16","38","9001","","10.1039/C4CE01152J","","","0.7107","MoKα","","0.0931","0.0593","","","0.1239","0.1401","","","","","","1.059","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217693","13.7775","0.0003","7.21311","0.00013","21.4071","0.0003","90","","90.4904","0.0016","90","","2127.33","0.07","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N3 O6 S -","- C20 H25 N3 O6 S -","- C80 H100 N12 O24 S4 -","4","1","","Salorinne, Kirsi; Lahtinen, Tanja; Marjomäki, Varpu; Häkkinen, Hannu","Polymorphic and solvate structures of ethyl ester and carboxylic acid derivatives of WIN 61893 analogue and their stability in solution","CrystEngComm","2014","16","38","9001","","10.1039/C4CE01152J","","","0.7107","MoKα","","0.0607","0.0446","","","0.1137","0.1245","","","","","","1.048","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217694","5.4543","0.0011","13.088","0.003","19.406","0.004","90","","93.39","0.03","90","","1382.9","0.5","303","2","303","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N6 O6 -","- C30 H26 N6 O6 -","- C60 H52 N12 O12 -","2","0.5","","Fang, Xin; Yuan, Xiong; Song, Yan-Bo; Wang, Jun-Dong; Lin, Mei-Jin","Cooperative lone pair–π and coordination interactions in naphthalene diimide coordination networks","CrystEngComm","2014","16","38","9090","","10.1039/C4CE01233J","","","0.71073","MoKα","","0.1097","0.0869","","","0.2811","0.3107","","","","","","1.066","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217695","19.586","0.003","19.586","0.003","24.077","0.005","90","","90","","90","","9236","3","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C34 H30 N8 O12 Zn -","- C34 H30 N8 O12 Zn -","- C272 H240 N64 O96 Zn8 -","8","0.5","","Fang, Xin; Yuan, Xiong; Song, Yan-Bo; Wang, Jun-Dong; Lin, Mei-Jin","Cooperative lone pair‒π and coordination interactions in naphthalene diimide coordination networks","CrystEngComm","2014","16","38","9090","","10.1039/C4CE01233J","","","0.71073","MoKα","","0.1172","0.0787","","","0.2072","0.2292","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217696","12.47","0.003","12.614","0.003","14.991","0.003","91.74","0.03","102.37","0.03","116.9","0.03","2032","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H41 N9 O14 Zn -","- C36 H41 N9 O14 Zn -","- C72 H82 N18 O28 Zn2 -","2","1","","Fang, Xin; Yuan, Xiong; Song, Yan-Bo; Wang, Jun-Dong; Lin, Mei-Jin","Cooperative lone pair‒π and coordination interactions in naphthalene diimide coordination networks","CrystEngComm","2014","16","38","9090","","10.1039/C4CE01233J","","","0.71073","MoKα","","0.0942","0.0582","","","0.1462","0.1699","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217697","12.355","0.003","12.541","0.003","14.681","0.003","91.05","0.03","102.88","0.03","117.34","0.03","1950.6","1","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H41 Cu N9 O14 -","- C36 H41 Cu N9 O14 -","- C72 H82 Cu2 N18 O28 -","2","1","","Fang, Xin; Yuan, Xiong; Song, Yan-Bo; Wang, Jun-Dong; Lin, Mei-Jin","Cooperative lone pair‒π and coordination interactions in naphthalene diimide coordination networks","CrystEngComm","2014","16","38","9090","","10.1039/C4CE01233J","","","0.71073","MoKα","","0.0754","0.0704","","","0.1711","0.1755","","","","","","1.085","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217698","12.28","0.003","12.491","0.003","14.649","0.003","91.44","0.03","102.46","0.03","115.88","0.03","1955.7","1","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 Co N8 O13 -","- C32 H32 Co N8 O13 -","- C64 H64 Co2 N16 O26 -","2","1","","Fang, Xin; Yuan, Xiong; Song, Yan-Bo; Wang, Jun-Dong; Lin, Mei-Jin","Cooperative lone pair‒π and coordination interactions in naphthalene diimide coordination networks","CrystEngComm","2014","16","38","9090","","10.1039/C4CE01233J","","","0.71073","MoKα","","0.0784","0.0661","","","0.1577","0.1664","","","","","","1.1","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217699","19.379","0.003","19.379","0.003","23.744","0.005","90","","90","","90","","8917","3","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C34 H30 Cu N8 O12 -","- C34 H30 Cu N8 O12 -","- C272 H240 Cu8 N64 O96 -","8","0.5","","Fang, Xin; Yuan, Xiong; Song, Yan-Bo; Wang, Jun-Dong; Lin, Mei-Jin","Cooperative lone pair‒π and coordination interactions in naphthalene diimide coordination networks","CrystEngComm","2014","16","38","9090","","10.1039/C4CE01233J","","","0.71073","MoKα","","0.163","0.0913","","","0.2315","0.2719","","","","","","1.021","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217700","19.642","0.003","19.642","0.003","23.896","0.005","90","","90","","90","","9219","3","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C34 H30 Co N8 O12 -","- C34 H30 Co N8 O12 -","- C272 H240 Co8 N64 O96 -","8","0.5","","Fang, Xin; Yuan, Xiong; Song, Yan-Bo; Wang, Jun-Dong; Lin, Mei-Jin","Cooperative lone pair‒π and coordination interactions in naphthalene diimide coordination networks","CrystEngComm","2014","16","38","9090","","10.1039/C4CE01233J","","","0.71073","MoKα","","0.0733","0.0636","","","0.1776","0.1843","","","","","","1.017","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217722","12.7953","0.001","12.7953","0.001","12.7953","0.001","90","","90","","90","","2094.8","0.3","290.81","0.1","290.81","0.1","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- C24 O13 Zn4 -","- C24 O13 Zn4 -","- C24 O13 Zn4 -","1","0.0208333","","Tshering, Lodey; Hunter, Sally O.; Nikolich, Alexandra; Minato, Erica; Fitchett, Christopher M.; D'Alessandro, Deanna M.; Richardson, Christopher","Post-synthetic pore-space expansion in a di-tagged metal‒organic framework","CrystEngComm","2014","16","39","9158","","10.1039/C4CE01377H","","","1.54184","CuKα","","0.2189","0.1982","","","0.5018","0.5309","","","","","","2.242","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217723","25.7643","0.0003","25.7643","0.0003","25.7643","0.0003","90","","90","","90","","17102.3","0.3","290.81","0.1","290.81","0.1","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C24 O13 Zn4 -","- C24 O13 Zn4 -","- C192 O104 Zn32 -","8","0.0416667","","Tshering, Lodey; Hunter, Sally O.; Nikolich, Alexandra; Minato, Erica; Fitchett, Christopher M.; D'Alessandro, Deanna M.; Richardson, Christopher","Post-synthetic pore-space expansion in a di-tagged metal‒organic framework","CrystEngComm","2014","16","39","9158","","10.1039/C4CE01377H","","","0.71073","MoKα","","0.0938","0.0616","","","0.1817","0.2249","","","","","","1.067","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217724","35.744","0.002","35.744","0.002","23.9081","0.0016","90","","90","","120","","26453","3","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C210 H162 Cl18 N18 O6 Zn6 -","- C186 H126 Cl12 N18 Zn6 -","- C558 H378 Cl36 N54 Zn18 -","3","0.166667","","Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Vujovic, Srboljub; Zampese, Jennifer A.","Environmental control in the assembly of metallomacrocycles and one-dimensional polymers with 4,2′:6′:4′′-terpyridine linkers and zinc(ii) nodes","CrystEngComm","2014","16","37","8691","","10.1039/C4CE00783B","","","1.54178","CuKα","","0.0526","0.0311","","","0.0626","0.0661","","","","","","0.799","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217725","23.6145","0.0015","23.6145","0.0015","16.4568","0.001","90","","90","","90","","9177","1","123","2","123","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C125 H84 Cl12 F20 N12 O5 Zn4 -","- C108 H56 Cl8 F20 N12 Zn4 -","- C216 H112 Cl16 F40 N24 Zn8 -","2","0.25","","Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Vujovic, Srboljub; Zampese, Jennifer A.","Environmental control in the assembly of metallomacrocycles and one-dimensional polymers with 4,2′:6′:4′′-terpyridine linkers and zinc(ii) nodes","CrystEngComm","2014","16","37","8691","","10.1039/C4CE00783B","","","1.54178","CuKα","","0.1907","0.0769","","","0.159","0.1884","","","","","","0.853","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217726","14.9652","0.001","16.3097","0.0012","24.4444","0.0018","90","","91.698","0.002","90","","5963.7","0.7","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H43 Cl3 I4 N6 Zn2 -","- C63 H43 Cl3 I4 N6 Zn2 -","- C252 H172 Cl12 I16 N24 Zn8 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Vujovic, Srboljub; Zampese, Jennifer A.","Environmental control in the assembly of metallomacrocycles and one-dimensional polymers with 4,2′:6′:4′′-terpyridine linkers and zinc(ii) nodes","CrystEngComm","2014","16","37","8691","","10.1039/C4CE00783B","","","0.71073","MoKα","","0.0728","0.0493","","","0.1034","0.1195","","","","","","1.138","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7217727","70.6015","0.0018","70.6015","0.0018","23.992","0.0006","90","","90","","120","","103568","5","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C206 H146 Cl18 N18 O2 Zn6 -","- C186 H126 Cl12 N18 Zn6 -","- C2232 H1512 Cl144 N216 Zn72 -","12","0.666667","","Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Vujovic, Srboljub; Zampese, Jennifer A.","Environmental control in the assembly of metallomacrocycles and one-dimensional polymers with 4,2′:6′:4′′-terpyridine linkers and zinc(ii) nodes","CrystEngComm","2014","16","37","8691","","10.1039/C4CE00783B","","","1.54178","CuKα","","0.179","0.1199","","","0.2869","0.3228","","","","","","0.971","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217728","14.3701","0.0012","22.089","0.002","26.512","0.003","95.414","0.006","95.48","0.006","92.935","0.005","8324.2","1.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C170 H125 Cl20 N12 O4 Zn4 -","- C124 H84 Cl8 N12 Zn4 -","- C248 H168 Cl16 N24 Zn8 -","2","1","","Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Vujovic, Srboljub; Zampese, Jennifer A.","Environmental control in the assembly of metallomacrocycles and one-dimensional polymers with 4,2′:6′:4′′-terpyridine linkers and zinc(ii) nodes","CrystEngComm","2014","16","37","8691","","10.1039/C4CE00783B","","","1.54178","CuKα","","0.0941","0.0714","","","0.1933","0.2079","","","","","","1.034","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217729","14.3665","0.0006","20.7814","0.0008","26.2162","0.0013","99.654","0.003","97.51","0.003","103.905","0.003","7369.5","0.6","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C158 H93 Cl22 F20 N12 O2 Zn4 -","- C108 H56 Cl8 F20 N12 Zn4 -","- C216 H112 Cl16 F40 N24 Zn8 -","2","1","","Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Vujovic, Srboljub; Zampese, Jennifer A.","Environmental control in the assembly of metallomacrocycles and one-dimensional polymers with 4,2′:6′:4′′-terpyridine linkers and zinc(ii) nodes","CrystEngComm","2014","16","37","8691","","10.1039/C4CE00783B","","","1.54178","CuKα","","0.1002","0.0695","","","0.1763","0.1906","","","","","","0.932","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217763","26.846","0.005","27.178","0.005","9.766","0.002","90","","90","","90","","7125","2","100","2","100","2","","","","","","","","5","P m m n","-P 2ab 2a","59","","","","- C63 H67 N6 O20 Zn3 -","- C54 H42 N3 O17 Zn3 -","- C216 H168 N12 O68 Zn12 -","4","","","Konstas, Kristina; Taupitz, Kim F.; Turner, David R.; Kennedy, Danielle F.; Hill, Matthew R.","A new family of zinc metal‒organic framework polymorphs containing anthracene tetracarboxylates","CrystEngComm","2014","16","38","8937","","10.1039/C4CE00385C","","","0.71073","Synchrotron","","0.2225","0.1213","","","0.3507","0.3981","","","","","","1.204","","","","has coordinates,has disorder","180508","2020-10-21","18:00:00",""
"7217764","18.5127","0.0003","18.5127","0.0003","78.4908","0.0018","90","","90","","120","","23296.4","0.8","123","2","123","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C52 H68 N7.33 O16.67 Zn2 -","- C34.0004 H14 N1.33327 O10.6666 Zn2 -","- C612.007 H252 N23.9988 O191.999 Zn36 -","18","0.5","","Konstas, Kristina; Taupitz, Kim F.; Turner, David R.; Kennedy, Danielle F.; Hill, Matthew R.","A new family of zinc metal‒organic framework polymorphs containing anthracene tetracarboxylates","CrystEngComm","2014","16","38","8937","","10.1039/C4CE00385C","","","1.5418","CuKα","","0.1045","0.0922","","","0.216","0.2281","","","","","","1.028","","","","has coordinates,has disorder","180508","2020-10-21","18:00:00",""
"7217765","27.063","0.009","27.063","0.009","16.107","0.003","90","","90","","120","","10216","5","100","2","100","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C34.5 H28.5 N1.5 O11.5 Zn2 -","- C30 H14 O10 Zn2 -","- C270 H126 O90 Zn18 -","9","0.25","","Konstas, Kristina; Taupitz, Kim F.; Turner, David R.; Kennedy, Danielle F.; Hill, Matthew R.","A new family of zinc metal‒organic framework polymorphs containing anthracene tetracarboxylates","CrystEngComm","2014","16","38","8937","","10.1039/C4CE00385C","","","0.71073","Synchrotron","","0.0746","0.069","","","0.192","0.1954","","","","","","1.177","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217770","13.852","0.004","13.852","0.004","6.4216","0.0017","90","","90","","90","","1232.2","0.6","173","2","173","2","","","","","","","","4","P 4/m c c","-P 4 2c","124","lithium phthalocyanine","lithium phthalocyanine","","- C32 H16 Li N8 -","- C32 H16 Li N8 -","- C64 H32 Li2 N16 -","2","0.125","","Miyoshi, Yasuhito; Yoshikawa, Hirofumi; Awaga, Kunio","Crystal-to-crystal transformation in solid-state electrochemical doping of Cl−ions to the nanoporous neutral radical lithium phthalocyanine: revelation of electron‒electron correlations in the 1D half-filled system","CrystEngComm","2014","16","39","9266","","10.1039/C4CE01222D","","","0.7107","MoKα","","0.0483","0.0426","","","0.1054","0.1089","","","","","","1.094","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217771","13.843","0.0009","13.843","0.0009","6.4156","0.0006","90","","90","","90","","1229.41","0.16","173","2","173","2","","","","","","","","5","P 4/m c c","-P 4 2c","124","lithium phthalocyanine chloride","lithium phthalocyanine chloride","","- C32 H16 Cl0.11 Li N8 -","- C32 H16 Cl0.11 Li N8 -","- C64 H32 Cl0.22 Li2 N16 -","2","0.125","","Miyoshi, Yasuhito; Yoshikawa, Hirofumi; Awaga, Kunio","Crystal-to-crystal transformation in solid-state electrochemical doping of Cl−ions to the nanoporous neutral radical lithium phthalocyanine: revelation of electron‒electron correlations in the 1D half-filled system","CrystEngComm","2014","16","39","9266","","10.1039/C4CE01222D","","","0.7107","MoKα","","0.07","0.0552","","","0.1138","0.1206","","","","","","1.12","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217772","13.829","0.005","13.829","0.005","6.406","0.002","90","","90","","90","","1225.1","0.7","173","2","173","2","","","","","","","","5","P 4/m c c","-P 4 2c","124","lithium phthalocyanine chloride","lithium phthalocyanine chloride","","- C32 H16 Cl0.2 Li N8 -","- C32 H16 Cl0.2 Li N8 -","- C64 H32 Cl0.4 Li2 N16 -","2","0.125","","Miyoshi, Yasuhito; Yoshikawa, Hirofumi; Awaga, Kunio","Crystal-to-crystal transformation in solid-state electrochemical doping of Cl−ions to the nanoporous neutral radical lithium phthalocyanine: revelation of electron‒electron correlations in the 1D half-filled system","CrystEngComm","2014","16","39","9266","","10.1039/C4CE01222D","","","0.7107","MoKα","","0.0624","0.0502","","","0.1129","0.1195","","","","","","1.082","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217773","13.864","0.006","13.864","0.006","6.414","0.003","90","","90","","90","","1232.8","0.9","173","2","173","2","","","","","","","","5","P 4/m c c","-P 4 2c","124","lithium phthalocyanine chloride","lithium phthalocyanine chloride","","- C32 H16 Cl0.21 Li N8 -","- C32 H16 Cl0.21 Li N8 -","- C64 H32 Cl0.42 Li2 N16 -","2","0.125","","Miyoshi, Yasuhito; Yoshikawa, Hirofumi; Awaga, Kunio","Crystal-to-crystal transformation in solid-state electrochemical doping of Cl−ions to the nanoporous neutral radical lithium phthalocyanine: revelation of electron‒electron correlations in the 1D half-filled system","CrystEngComm","2014","16","39","9266","","10.1039/C4CE01222D","","","0.7107","MoKα","","0.0866","0.074","","","0.1988","0.2126","","","","","","1.138","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217774","13.841","0.004","13.841","0.004","6.4027","0.0018","90","","90","","90","","1226.6","0.6","173","2","173","2","","","","","","","","5","P 4/m c c","-P 4 2c","124","lithium phthalocyanine chloride","lithium phthalocyanine chloride","","- C32 H16 Cl0.24 Li N8 -","- C32 H16 Cl0.24 Li N8 -","- C64 H32 Cl0.48 Li2 N16 -","2","0.125","","Miyoshi, Yasuhito; Yoshikawa, Hirofumi; Awaga, Kunio","Crystal-to-crystal transformation in solid-state electrochemical doping of Cl−ions to the nanoporous neutral radical lithium phthalocyanine: revelation of electron‒electron correlations in the 1D half-filled system","CrystEngComm","2014","16","39","9266","","10.1039/C4CE01222D","","","0.7107","MoKα","","0.0567","0.0471","","","0.1081","0.114","","","","","","1.106","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217775","13.843","0.004","13.843","0.004","6.394","0.002","90","","90","","90","","1225.3","0.6","173","2","173","2","","","","","","","","5","P 4/m c c","-P 4 2c","124","lithium phthalocyanine chloride","lithium phthalocyanine chloride","","- C32 H16 Cl0.38 Li N8 -","- C32 H16 Cl0.38 Li N8 -","- C64 H32 Cl0.76 Li2 N16 -","2","0.125","","Miyoshi, Yasuhito; Yoshikawa, Hirofumi; Awaga, Kunio","Crystal-to-crystal transformation in solid-state electrochemical doping of Cl−ions to the nanoporous neutral radical lithium phthalocyanine: revelation of electron‒electron correlations in the 1D half-filled system","CrystEngComm","2014","16","39","9266","","10.1039/C4CE01222D","","","0.7107","MoKα","","0.0638","0.0553","","","0.1542","0.1611","","","","","","1.138","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217776","13.8605","0.0007","13.8605","0.0007","6.3917","0.0005","90","","90","","90","","1227.93","0.13","173","2","173","2","","","","","","","","5","P 4/m c c","-P 4 2c","124","lithium phthalocyanine chloride","lithium phthalocyanine chloride","","- C32 H16 Cl0.46 Li N8 -","- C32 H16 Cl0.46 Li N8 -","- C64 H32 Cl0.92 Li2 N16 -","2","0.125","","Miyoshi, Yasuhito; Yoshikawa, Hirofumi; Awaga, Kunio","Crystal-to-crystal transformation in solid-state electrochemical doping of Cl−ions to the nanoporous neutral radical lithium phthalocyanine: revelation of electron‒electron correlations in the 1D half-filled system","CrystEngComm","2014","16","39","9266","","10.1039/C4CE01222D","","","0.7107","MoKα","","0.0588","0.0505","","","0.1419","0.1477","","","","","","1.124","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217777","5.6421","0.0002","28.9519","0.0013","7.8627","0.0003","90","","95.521","0.002","90","","1278.41","0.09","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","calciumMOF","","","- C14 H10 Ca O6 -","- C14 H10 Ca O6 -","- C56 H40 Ca4 O24 -","4","1","","Rao, Purna Chandra; K. S, Asha; Mandal, Sukhendu","Synthesis, structure and band gap energy of a series of thermostable alkaline earth metal based metal–organic frameworks","CrystEngComm","2014","16","39","9320","","10.1039/C4CE01505C","","","0.71073","MoKα","","0.0384","0.0313","","","0.089","0.1035","","","","","","1.138","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217778","29.3416","0.0018","6.3038","0.0004","7.0814","0.0004","90","","90","","90","","1309.8","0.14","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","StrontiumMOF","","","- C14 H10 O6 Sr -","- C14 H10 O6 Sr -","- C56 H40 O24 Sr4 -","4","1","","Rao, Purna Chandra; K. S, Asha; Mandal, Sukhendu","Synthesis, structure and band gap energy of a series of thermostable alkaline earth metal based metal–organic frameworks","CrystEngComm","2014","16","39","9320","","10.1039/C4CE01505C","","","0.71073","MoKα","","0.0422","0.0297","","","0.0809","0.111","","","","","","1.146","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217779","11.2447","0.0002","8.0932","0.0001","30.0999","0.0005","90","","90","","90","","2739.26","0.07","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","BariumMOF","","","- C28 H16 Ba2 O13 -","- C28 H16 Ba2 O13 -","- C112 H64 Ba8 O52 -","4","1","","Rao, Purna Chandra; K. S, Asha; Mandal, Sukhendu","Synthesis, structure and band gap energy of a series of thermostable alkaline earth metal based metal‒organic frameworks","CrystEngComm","2014","16","39","9320","","10.1039/C4CE01505C","","","0.71073","MoKα","","0.0219","0.0174","","","0.0555","0.0811","","","","","","1.37","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217780","14.0847","0.0004","5.9953","0.0002","19.3347","0.0006","90","","93.729","0.002","90","","1629.2","0.09","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 O7.5 S Zn1.5 -","- C15 H12 O7.5 S Zn1.5 -","- C60 H48 O30 S4 Zn6 -","4","1","","Wu, Cheng-You; Raja, Duraisamy Senthil; Yang, Chun-Chuen; Yeh, Chun-Ting; Chen, Yu-Ru; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her","Evaluation of structural transformation in 2D metal‒organic frameworks based on a 4,4′-sulfonyldibenzoate linker: microwave-assisted solvothermal synthesis, characterization and applications","CrystEngComm","2014","16","39","9308","","10.1039/C4CE01201A","","","0.71073","MoKα","","0.0508","0.0459","","","0.1146","0.1167","","","","","","1.147","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217781","14.1168","0.0002","6.0531","0.0001","19.3678","0.0003","90","","93.627","0.001","90","","1651.67","0.04","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 O14 S2 Zn3 -","- C28 H18 O14 S2 Zn3 -","- C56 H36 O28 S4 Zn6 -","2","0.5","","Wu, Cheng-You; Raja, Duraisamy Senthil; Yang, Chun-Chuen; Yeh, Chun-Ting; Chen, Yu-Ru; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her","Evaluation of structural transformation in 2D metal‒organic frameworks based on a 4,4′-sulfonyldibenzoate linker: microwave-assisted solvothermal synthesis, characterization and applications","CrystEngComm","2014","16","39","9308","","10.1039/C4CE01201A","","","0.71073","MoKα","","0.047","0.0301","","","0.0669","0.0731","","","","","","1.054","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217782","28.1637","0.0009","6.4411","0.0002","24.8679","0.0008","90","","115.445","0.002","90","","4073.6","0.2","295","2","295","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C60 H74 Mg6 O43 S4 -","- C60 H74 Mg6 O43 S4 -","- C120 H148 Mg12 O86 S8 -","2","0.5","","Wu, Cheng-You; Raja, Duraisamy Senthil; Yang, Chun-Chuen; Yeh, Chun-Ting; Chen, Yu-Ru; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her","Evaluation of structural transformation in 2D metal‒organic frameworks based on a 4,4′-sulfonyldibenzoate linker: microwave-assisted solvothermal synthesis, characterization and applications","CrystEngComm","2014","16","39","9308","","10.1039/C4CE01201A","","","0.71073","MoKα","","0.1118","0.0541","","","0.1468","0.1672","","","","","","1.037","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217783","10.161","0.0005","7.3197","0.0003","22.3295","0.001","90","","93.699","0.001","90","","1657.31","0.13","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Mn O7 S -","- C16 H13 Mn O7 S -","- C64 H52 Mn4 O28 S4 -","4","1","","Wu, Cheng-You; Raja, Duraisamy Senthil; Yang, Chun-Chuen; Yeh, Chun-Ting; Chen, Yu-Ru; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her","Evaluation of structural transformation in 2D metal‒organic frameworks based on a 4,4′-sulfonyldibenzoate linker: microwave-assisted solvothermal synthesis, characterization and applications","CrystEngComm","2014","16","39","9308","","10.1039/C4CE01201A","","","0.71073","MoKα","","0.063","0.0572","","","0.1548","0.1573","","","","","","1.165","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217784","5.998","0.0002","11.8959","0.0004","13.0287","0.0007","112.118","0.003","102.502","0.003","99.816","0.002","807.5","0.06","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Mn O7 S -","- C14 H10 Mn O7 S -","- C28 H20 Mn2 O14 S2 -","2","1","","Wu, Cheng-You; Raja, Duraisamy Senthil; Yang, Chun-Chuen; Yeh, Chun-Ting; Chen, Yu-Ru; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her","Evaluation of structural transformation in 2D metal‒organic frameworks based on a 4,4′-sulfonyldibenzoate linker: microwave-assisted solvothermal synthesis, characterization and applications","CrystEngComm","2014","16","39","9308","","10.1039/C4CE01201A","","","0.71073","MoKα","","0.0601","0.0492","","","0.1241","0.1282","","","","","","1.082","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217785","5.951","0.0019","15.899","0.005","21.4","0.016","90","","90","","90","","2024.8","1.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Ezetimibe","Ezetimibe","","- C24 H21 F2 N O3 -","- C24 H21 F2 N O3 -","- C96 H84 F8 N4 O12 -","4","1","","Shimpi, Manishkumar R.; Childs, Scott L.; Boström, Dan; Velaga, Sitaram P.","New cocrystals of ezetimibe withl-proline and imidazole","CrystEngComm","2014","16","38","8984","","10.1039/C4CE01127A","","","0.71073","MoKα","","0.1171","0.0561","","","0.1549","0.2013","","","","","","1.061","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217786","5.832","0.0002","15.752","0.0005","25.673","0.0013","90","","90","","90","","2358.47","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Ezetimibe-Imidazole","","","- C27 H25 F2 N3 O3 -","- C27 H25 F2 N3 O3 -","- C108 H100 F8 N12 O12 -","4","1","","Shimpi, Manishkumar R.; Childs, Scott L.; Boström, Dan; Velaga, Sitaram P.","New cocrystals of ezetimibe withl-proline and imidazole","CrystEngComm","2014","16","38","8984","","10.1039/C4CE01127A","","","0.71073","MoKα","","0.095","0.06","","","0.1678","0.1994","","","","","","1.046","","","","has coordinates","301864","2025-08-22","15:14:36",""
"7217787","6.14","0.0002","17.077","0.0007","21.35","0.0012","90","","90","","90","","2238.61","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Ezetimibe-Formamide","Ezetimibe-Formamide","","- C25 H24 F2 N2 O4 -","- C25 H24 F2 N2 O4 -","- C100 H96 F8 N8 O16 -","4","1","","Shimpi, Manishkumar R.; Childs, Scott L.; Boström, Dan; Velaga, Sitaram P.","New cocrystals of ezetimibe withl-proline and imidazole","CrystEngComm","2014","16","38","8984","","10.1039/C4CE01127A","","","0.71073","MoKα","","0.0986","0.0551","","","0.1341","0.1599","","","","","","1.148","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217797","8.8785","0.0007","17.4501","0.0014","13.1922","0.0011","90","","101.292","0.002","90","","2004.3","0.3","293","2","293","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C16 H54 Cl F3 Ge7 N12 Ni2 O15 -","- C16 H54 Cl F3 Ge7 N12 Ni2 O15 -","- C32 H108 Cl2 F6 Ge14 N24 Ni4 O30 -","2","0.5","","Ren, Xiaoyan; Pan, Qinhe; Liu, Jiancong; Li, Yi; Wang, Fuxiang; Li, Jiyang; Xu, Yan; Li, Li","A family of germanates constructed from Ge7clusters co-templated by metal complexes and organic/inorganic species","CrystEngComm","2014","16","40","9545","","10.1039/C4CE00671B","","","0.71073","MoKα","","0.0806","0.041","","","0.0687","0.0894","","","","","","1.032","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217798","8.829","0.003","16.632","0.005","20.933","0.006","90","","96.992","0.006","90","","3051","1.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H38 F2 Ge7 N7 Ni O15.5 -","- C11 H33 F2 Ge7 N7 Ni O15.5 -","- C44 H132 F8 Ge28 N28 Ni4 O62 -","4","1","","Ren, Xiaoyan; Pan, Qinhe; Liu, Jiancong; Li, Yi; Wang, Fuxiang; Li, Jiyang; Xu, Yan; Li, Li","A family of germanates constructed from Ge7clusters co-templated by metal complexes and organic/inorganic species","CrystEngComm","2014","16","40","9545","","10.1039/C4CE00671B","","","0.71073","MoKα","","0.0947","0.0474","","","0.1007","0.1142","","","","","","0.9","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7217799","8.8029","0.0018","16.671","0.003","21.293","0.004","90","","101.21","0.03","90","","3065.2","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H36 F2 Ge7 N7 Ni O16 -","- C11 H32 F2 Ge7 N7 Ni O16 -","- C44 H128 F8 Ge28 N28 Ni4 O64 -","4","1","","Ren, Xiaoyan; Pan, Qinhe; Liu, Jiancong; Li, Yi; Wang, Fuxiang; Li, Jiyang; Xu, Yan; Li, Li","A family of germanates constructed from Ge7clusters co-templated by metal complexes and organic/inorganic species","CrystEngComm","2014","16","40","9545","","10.1039/C4CE00671B","","","0.71073","MoKα","","0.0955","0.0688","","","0.1765","0.1974","","","","","","1.173","","","","has coordinates,has disorder","180508","2020-10-21","18:00:00",""
"7217800","8.8089","0.0018","22.436","0.005","31.193","0.006","90","","90","","90","","6165","2","293","2","293","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C22 H72 F6 Ge14 N14 Ni2 O31 -","- C18 H56 F6 Ge14 N12 Ni2 O29 -","- C72 H224 F24 Ge56 N48 Ni8 O116 -","4","0.5","","Ren, Xiaoyan; Pan, Qinhe; Liu, Jiancong; Li, Yi; Wang, Fuxiang; Li, Jiyang; Xu, Yan; Li, Li","A family of germanates constructed from Ge7clusters co-templated by metal complexes and organic/inorganic species","CrystEngComm","2014","16","40","9545","","10.1039/C4CE00671B","","","0.71073","MoKα","","0.0355","0.0296","","","0.0774","0.0796","","","","","","1.064","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217803","8.9979","0.0009","14.5904","0.0014","13.4092","0.0013","90","","113.863","0.006","90","","1609.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 Cd N4 O4 -","- C13 H18 Cd N4 O4 -","- C52 H72 Cd4 N16 O16 -","4","1","","Xue, Chen; Xu, Heng; Huang, Rong-Yi; Ren, Xiao-Ming","Mutual transformation between crystalline phases and dielectric properties of coordination polymers with the formula [Cd(N-methylimidazole)2(H2O)x(glutarate)]·nH2O (x = 0 or 1; n = or 4)","CrystEngComm","2014","16","42","9857","","10.1039/C4CE00997E","","","0.71073","MoKα","","0.0539","0.0466","","","0.1319","0.1379","","","","","","1.049","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217804","16.9674","0.0017","14.2074","0.0014","8.7538","0.0008","90","","90","","90","","2110.2","0.4","296","2","296","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C13 H28 Cd N4 O9 -","- C13 H28 Cd N4 O9 -","- C52 H112 Cd4 N16 O36 -","4","0.5","","Xue, Chen; Xu, Heng; Huang, Rong-Yi; Ren, Xiao-Ming","Mutual transformation between crystalline phases and dielectric properties of coordination polymers with the formula [Cd(N-methylimidazole)2(H2O)x(glutarate)]·nH2O (x = 0 or 1; n = or 4)","CrystEngComm","2014","16","42","9857","","10.1039/C4CE00997E","","","0.71073","MoKα","","0.0428","0.0268","","","0.0617","0.068","","","","","","1.041","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217809","21.2969","0.0015","26.3582","0.0019","8.7744","0.0006","90","","90","","90","","4925.5","0.6","296","2","296","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C20 H21 Br Cd N4 O4 -","- C20 H21 Br Cd N4 O4 -","- C160 H168 Br8 Cd8 N32 O32 -","8","1","","Hou, Yuan-Feng; Liu, Bo; Yue, Ke-Fen; Zhou, Chun-Sheng; Wang, Yi-Meng; Yan, Ni; Wang, Yao-Yu","Five solvent-induced cadmium coordination polymers (CPs) based on the same mixed ligands","CrystEngComm","2014","16","40","9560","","10.1039/C4CE01359J","","","0.71073","MoKα","","0.0708","0.0438","","","0.1058","0.1146","","","","","","1.009","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217810","9.449","0.003","10.386","0.004","17.553","0.006","76.519","0.008","89.167","0.007","79.774","0.008","1647.9","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H27 Br2 Cd2 N4 O9 -","- C29 H27 Br2 Cd2 N4 O9 -","- C58 H54 Br4 Cd4 N8 O18 -","2","1","","Hou, Yuan-Feng; Liu, Bo; Yue, Ke-Fen; Zhou, Chun-Sheng; Wang, Yi-Meng; Yan, Ni; Wang, Yao-Yu","Five solvent-induced cadmium coordination polymers (CPs) based on the same mixed ligands","CrystEngComm","2014","16","40","9560","","10.1039/C4CE01359J","","","0.71073","MoKα","","0.1435","0.0728","","","0.1011","0.1255","","","","","","1","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217811","8.7933","0.0007","17.7457","0.0016","14.8568","0.0012","90","","90","","90","","2318.3","0.3","296","2","296","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C20 H21 Br Cd N4 O4 -","- C20 H21 Br Cd N4 O4 -","- C80 H84 Br4 Cd4 N16 O16 -","4","0.5","","Hou, Yuan-Feng; Liu, Bo; Yue, Ke-Fen; Zhou, Chun-Sheng; Wang, Yi-Meng; Yan, Ni; Wang, Yao-Yu","Five solvent-induced cadmium coordination polymers (CPs) based on the same mixed ligands","CrystEngComm","2014","16","40","9560","","10.1039/C4CE01359J","","","0.71073","MoKα","","0.0498","0.029","","","0.063","0.0706","","","","","","1.005","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217812","17.051","0.002","11.4036","0.0014","19.722","0.002","90","","109.91","0.002","90","","3605.6","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Br Cd N2 O7 -","- C14 H18 Br Cd N2 O7 -","- C112 H144 Br8 Cd8 N16 O56 -","8","1","","Hou, Yuan-Feng; Liu, Bo; Yue, Ke-Fen; Zhou, Chun-Sheng; Wang, Yi-Meng; Yan, Ni; Wang, Yao-Yu","Five solvent-induced cadmium coordination polymers (CPs) based on the same mixed ligands","CrystEngComm","2014","16","40","9560","","10.1039/C4CE01359J","","","0.71073","MoKα","","0.0964","0.0613","","","0.1102","0.1259","","","","","","1.02","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217813","8.3536","0.0009","10.0782","0.001","11.2967","0.0012","74.969","0.002","74.612","0.002","68.425","0.001","838.73","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Br Cd N2 O5 -","- C14 H14 Br Cd N2 O5 -","- C28 H28 Br2 Cd2 N4 O10 -","2","1","","Hou, Yuan-Feng; Liu, Bo; Yue, Ke-Fen; Zhou, Chun-Sheng; Wang, Yi-Meng; Yan, Ni; Wang, Yao-Yu","Five solvent-induced cadmium coordination polymers (CPs) based on the same mixed ligands","CrystEngComm","2014","16","40","9560","","10.1039/C4CE01359J","","","0.71073","MoKα","","0.0325","0.0293","","","0.1029","0.1104","","","","","","0.878","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217816","25.6565","0.0006","12.4636","0.0003","21.2198","0.0006","90","","105.91","0.002","90","","6525.6","0.3","277","2","277","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H54 Cd2 N8 O15 -","- C78 H48 Cd2 N8 O12 -","- C312 H192 Cd8 N32 O48 -","4","0.5","","Zhao, Jie; Xie, Li-Qiong; Ma, Ying-Ming; Zhou, Ai-Ju; Dong, Wen; Wang, Jing; Chen, Yan-Cong; Tong, Ming-Liang","Structures and properties of coordination polymers involving asymmetric biphenyl-3,2′,5′-tricarboxylate","CrystEngComm","2014","16","43","10006","","10.1039/C4CE01225A","","","0.71073","MoKα","","0.0785","0.044","","","0.0867","0.0964","","","","","","0.985","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217817","7.4683","0.0001","9.9602","0.0002","15.8627","0.0003","81.11","0.001","88.078","0.001","69.099","0.001","1088.78","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H40 Cu2 N4 O16 -","- C50 H40 Cu2 N4 O16 -","- C50 H40 Cu2 N4 O16 -","1","0.5","","Zhao, Jie; Xie, Li-Qiong; Ma, Ying-Ming; Zhou, Ai-Ju; Dong, Wen; Wang, Jing; Chen, Yan-Cong; Tong, Ming-Liang","Structures and properties of coordination polymers involving asymmetric biphenyl-3,2′,5′-tricarboxylate","CrystEngComm","2014","16","43","10006","","10.1039/C4CE01225A","","","0.71073","MoKα","","0.0395","0.0319","","","0.0835","0.0876","","","","","","1.034","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7217818","9.5251","0.0006","9.8837","0.0006","16.3942","0.0011","72.834","0.004","87.431","0.004","71.093","0.004","1392.88","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 N3 Ni O9 -","- C30 H26 N3 Ni O9 -","- C60 H52 N6 Ni2 O18 -","2","1","","Zhao, Jie; Xie, Li-Qiong; Ma, Ying-Ming; Zhou, Ai-Ju; Dong, Wen; Wang, Jing; Chen, Yan-Cong; Tong, Ming-Liang","Structures and properties of coordination polymers involving asymmetric biphenyl-3,2′,5′-tricarboxylate","CrystEngComm","2014","16","43","10006","","10.1039/C4CE01225A","","","0.71073","MoKα","","0.0566","0.0388","","","0.0936","0.1062","","","","","","1.062","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217819","9.3553","0.0002","24.7637","0.0004","11.6174","0.0002","90","","113.411","0.001","90","","2469.86","0.08","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H42 Mn3 N6 O14 -","- C60 H42 Mn3 N6 O14 -","- C120 H84 Mn6 N12 O28 -","2","0.5","","Zhao, Jie; Xie, Li-Qiong; Ma, Ying-Ming; Zhou, Ai-Ju; Dong, Wen; Wang, Jing; Chen, Yan-Cong; Tong, Ming-Liang","Structures and properties of coordination polymers involving asymmetric biphenyl-3,2′,5′-tricarboxylate","CrystEngComm","2014","16","43","10006","","10.1039/C4CE01225A","","","0.71073","MoKα","","0.0513","0.0344","","","0.0814","0.0881","","","","","","1.047","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217820","7.038","0.004","15.257","0.008","17.946","0.01","90","","90","","90","","1927","1.8","140","2","140","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H6 Br3 Cd N -","- C5 H6 Br3 Cd N -","- C40 H48 Br24 Cd8 N8 -","8","1","","Jin, Jing; Jin, Lei; Su, En-Ben","Temperature-induced isosymmetric reversible structural phase transition in catena-[pyridinium tris(μ2-bromo)-cadmium(ii)]","CrystEngComm","2014","16","39","9284","","10.1039/C4CE00799A","","","0.71073","MoKα","","0.0932","0.0762","","","0.1745","0.1847","","","","","","0.976","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217821","7.6903","0.0015","18.058","0.004","7.1118","0.0014","90","","90","","90","","987.6","0.4","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C5 H6 Br3 Cd N -","- C5 H6 Br3 Cd N -","- C20 H24 Br12 Cd4 N4 -","4","0.25","","Jin, Jing; Jin, Lei; Su, En-Ben","Temperature-induced isosymmetric reversible structural phase transition in catena-[pyridinium tris(μ2-bromo)-cadmium(ii)]","CrystEngComm","2014","16","39","9284","","10.1039/C4CE00799A","","","0.71073","MoKα","","0.0358","0.0283","","","0.061","0.063","","","","","","1.164","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217839","14.2562","0.0001","14.1356","0.0001","14.3787","0.0001","90","","117.825","","90","","2562.57","0.03","100","","100","","","","","","","","Synthesized by the authors. See text","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H27 N3 O2 -","- C34 H27 N3 O2 -","- C136 H108 N12 O8 -","4","1","","Bessette, André; Cibian, Mihaela; Bélanger, Francis; Désilets, Denis; Hanan, Garry S.","Introducing asymmetry in tetradentate azadipyrromethene chromophores: a systematic study of the impact on electronic and photophysical properties.","Physical chemistry chemical physics : PCCP","2014","16","40","22207","22221","10.1039/c4cp02629b","","","1.54178","CuKα","","0.0362","0.036","","","0.0883","0.0884","","","","","","1.057","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7217840","5.6755","0.0002","11.9628","0.0004","16.5633","0.0006","90","","91.632","0.002","90","","1124.11","0.07","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 1 21 1","P 2yb","4","","","","- C30 H21 N5 -","- C30 H21 N5 -","- C60 H42 N10 -","2","1","","Bessette, André; Cibian, Mihaela; Bélanger, Francis; Désilets, Denis; Hanan, Garry S.","Introducing asymmetry in tetradentate azadipyrromethene chromophores: a systematic study of the impact on electronic and photophysical properties.","Physical chemistry chemical physics : PCCP","2014","16","40","22207","22221","10.1039/c4cp02629b","","","1.54178","CuKα","","0.1853","0.179","","","0.3067","0.3091","","","","","","1.034","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217841","20.1555","0.0002","9.6757","0.0001","25.46","0.0003","90","","100.668","0.001","90","","4879.36","0.09","100","","100","","","","","","","","Synthesized by the authors. See text","4","P 1 c 1","P -2yc","7","","","","- C33 H25 N3 O2 -","- C33 H25 N3 O2 -","- C264 H200 N24 O16 -","8","4","","Bessette, André; Cibian, Mihaela; Bélanger, Francis; Désilets, Denis; Hanan, Garry S.","Introducing asymmetry in tetradentate azadipyrromethene chromophores: a systematic study of the impact on electronic and photophysical properties.","Physical chemistry chemical physics : PCCP","2014","16","40","22207","22221","10.1039/c4cp02629b","","","1.54178","CuKα","","0.0531","0.0461","","","0.1183","0.1241","","","","","","1.034","","","","has coordinates,has disorder","180509","2020-10-21","18:00:00",""
"7217842","11.3385","0.0006","13.9762","0.0007","15.3735","0.0008","90","","97.732","0.002","90","","2414.1","0.2","100","","100","","","","","","","","Synthesized by the authors. See text","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 N4 O -","- C32 H24 N4 O -","- C128 H96 N16 O4 -","4","1","","Bessette, André; Cibian, Mihaela; Bélanger, Francis; Désilets, Denis; Hanan, Garry S.","Introducing asymmetry in tetradentate azadipyrromethene chromophores: a systematic study of the impact on electronic and photophysical properties.","Physical chemistry chemical physics : PCCP","2014","16","40","22207","22221","10.1039/c4cp02629b","","","1.54178","CuKα","","0.039","0.036","","","0.0955","0.0984","","","","","","1.019","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7217843","8.972","0.003","7.295","0.003","24.757","0.01","90","","96.902","0.007","90","","1608.6","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 F N O3 -","- C20 H14 F N O3 -","- C80 H56 F4 N4 O12 -","4","1","","Mukherjee, Sanjoy; Thilagar, Pakkirisamy","Fine-tuning solid-state luminescence in NPIs (1,8-naphthalimides): impact of the molecular environment and cumulative interactions.","Physical chemistry chemical physics : PCCP","2014","16","38","20866","20877","10.1039/c4cp02071e","","","0.71073","MoKα","","0.0874","0.0588","","","0.1392","0.1558","","","","","","1.113","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7217844","9.008","0.007","7.848","0.006","24.086","0.019","90","","100.229","0.013","90","","1676","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Br N O3 -","- C20 H14 Br N O3 -","- C80 H56 Br4 N4 O12 -","4","1","","Mukherjee, Sanjoy; Thilagar, Pakkirisamy","Fine-tuning solid-state luminescence in NPIs (1,8-naphthalimides): impact of the molecular environment and cumulative interactions.","Physical chemistry chemical physics : PCCP","2014","16","38","20866","20877","10.1039/c4cp02071e","","","0.71073","MoKα","","0.1291","0.0652","","","0.1558","0.1889","","","","","","0.954","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7217845","13.916","0.005","11.329","0.004","10.53","0.004","90","","98.067","0.007","90","","1643.7","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 O5 -","- C20 H14 N2 O5 -","- C80 H56 N8 O20 -","4","1","","Mukherjee, Sanjoy; Thilagar, Pakkirisamy","Fine-tuning solid-state luminescence in NPIs (1,8-naphthalimides): impact of the molecular environment and cumulative interactions.","Physical chemistry chemical physics : PCCP","2014","16","38","20866","20877","10.1039/c4cp02071e","","","0.71073","MoKα","","0.11","0.0579","","","0.1161","0.1397","","","","","","1.046","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7217852","7.1364","0.0004","14.89","0.0009","14.839","0.0007","90","","91.636","0.005","90","","1576.16","0.15","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 Cl N4 O5 -","- C14 H17 Cl N4 O5 -","- C56 H68 Cl4 N16 O20 -","4","1","","Prasad, Karothu Durga; Cherukuvada, Suryanarayan; Devaraj Stephen, L.; Guru Row, Tayur N.","Effect of inductive effect on the formation of cocrystals and eutectics","CrystEngComm","2014","16","42","9930","","10.1039/C4CE01489H","","","0.71073","MoKα","","0.069","0.0484","","","0.097","0.109","","","","","","1.038","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7217853","6.9766","0.0003","15.2461","0.0008","14.61","0.0007","90","","91.602","0.004","90","","1553.4","0.13","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Cl N3 O6 -","- C14 H16 Cl N3 O6 -","- C56 H64 Cl4 N12 O24 -","4","1","","Prasad, Karothu Durga; Cherukuvada, Suryanarayan; Devaraj Stephen, L.; Guru Row, Tayur N.","Effect of inductive effect on the formation of cocrystals and eutectics","CrystEngComm","2014","16","42","9930","","10.1039/C4CE01489H","","","0.71073","MoKα","","0.0966","0.0619","","","0.1481","0.1765","","","","","","1.041","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7217854","7.0625","0.0009","15.0679","0.0019","14.7835","0.0014","90","","90.563","0.009","90","","1573.1","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16.25 Cl N3.25 O5.75 -","- C14 H16.63 Cl N3.63 O5.37 -","- C56 H66.52 Cl4 N14.52 O21.48 -","4","1","","Prasad, Karothu Durga; Cherukuvada, Suryanarayan; Devaraj Stephen, L.; Guru Row, Tayur N.","Effect of inductive effect on the formation of cocrystals and eutectics","CrystEngComm","2014","16","42","9930","","10.1039/C4CE01489H","","","0.71073","MoKα","","0.0741","0.0554","","","0.1351","0.1457","","","","","","1.034","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217855","7.0287","0.0005","15.0835","0.0011","14.7528","0.0011","90","","90.09","0.006","90","","1564.1","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16.5 Cl N3.5 O5.5 -","- C14 H16.47 Cl N3.47 O5.53 -","- C56 H65.88 Cl4 N13.88 O22.12 -","4","1","","Prasad, Karothu Durga; Cherukuvada, Suryanarayan; Devaraj Stephen, L.; Guru Row, Tayur N.","Effect of inductive effect on the formation of cocrystals and eutectics","CrystEngComm","2014","16","42","9930","","10.1039/C4CE01489H","","","0.71073","MoKα","","0.082","0.0617","","","0.1524","0.1651","","","","","","1.053","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7217856","5.378","0.002","9.788","0.004","8.399","0.003","90","","101.676","0.004","90","","433","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-isopropyl-L-valine","","- C8 H17 N O2 -","- C8 H17 N O2 -","- C16 H34 N2 O4 -","2","1","","Görbitz, C. H.; Leirvåg, A. B.; Jacobsen, Ø.","Hydrogen bond architecture in crystal structures of N-alkylated hydrophobic amino acids","CrystEngComm","2014","16","41","9631","","10.1039/C4CE01412J","","","0.71073","MoKα","","0.0522","0.0455","","","0.1245","0.1304","","","","","","1.09","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7217857","17.382","0.004","10.705","0.002","9.608","0.002","90","","90","","90","","1787.8","0.6","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","N-Isopropyl-DL-valine","","- C8 H17 N O2 -","- C8 H17 N O2 -","- C64 H136 N8 O16 -","8","1","","Görbitz, C. H.; Leirvåg, A. B.; Jacobsen, Ø.","Hydrogen bond architecture in crystal structures of N-alkylated hydrophobic amino acids","CrystEngComm","2014","16","41","9631","","10.1039/C4CE01412J","","","0.71073","MoKα","","0.1073","0.0408","","","0.0981","0.1292","","","","","","1.012","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7217858","9.2948","0.0018","10.79","0.002","19.871","0.004","90","","90","","90","","1992.9","0.7","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-isopropyl-L-leucine","","- C9 H19 N O2 -","- C9 H19 N O2 -","- C72 H152 N8 O16 -","8","2","","Görbitz, C. H.; Leirvåg, A. B.; Jacobsen, Ø.","Hydrogen bond architecture in crystal structures of N-alkylated hydrophobic amino acids","CrystEngComm","2014","16","41","9631","","10.1039/C4CE01412J","","","0.71073","MoKα","","0.0488","0.039","","","0.0868","0.0907","","","","","","1.077","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7217859","10.75","0.002","9.407","0.002","11.079","0.003","90","","95.013","0.003","90","","1116.1","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-isopropyl-L-phenylalanine","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","2","","Görbitz, C. H.; Leirvåg, A. B.; Jacobsen, Ø.","Hydrogen bond architecture in crystal structures of N-alkylated hydrophobic amino acids","CrystEngComm","2014","16","41","9631","","10.1039/C4CE01412J","","","0.71073","MoKα","","0.0555","0.038","","","0.086","0.0952","","","","","","1.028","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7217860","5.766","0.003","12.082","0.005","16.559","0.007","90","","90","","90","","1153.6","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-benzyl-L-valine","N-benzyl-S-2-amino-4-methylpropanoic acid","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","1","","Görbitz, C. H.; Leirvåg, A. B.; Jacobsen, Ø.","Hydrogen bond architecture in crystal structures of N-alkylated hydrophobic amino acids","CrystEngComm","2014","16","41","9631","","10.1039/C4CE01412J","","","1.54178","CuKα","","0.1087","0.0663","","","0.1081","0.1229","","","","","","1.081","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7217861","27.4601","0.0015","14.8337","0.0007","15.0974","0.0007","90","","112.024","0.007","90","","5700.9","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H32 N6 Ni2 O9 -","- C52 H32 N6 Ni2 O9 -","- C208 H128 N24 Ni8 O36 -","4","0.5","","Gong, Yun; Zhang, Miao Miao; Zhang, Pan; Shi, Hui Fang; Jiang, Peng Gang; Lin, Jian Hua","Metal‒organic frameworks based on 4-(4-carboxyphenyl)-2,2,4,4-terpyridine: structures, topologies and electrocatalytic behaviors in sodium laurylsulfonate aqueous solution","CrystEngComm","2014","16","42","9882","","10.1039/C4CE01506A","","","0.71073","MoKα","","0.0882","0.0756","","","0.2419","0.2579","","","","","","1.1","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217862","27.7567","0.0016","15.074","0.0005","15.1426","0.0007","90","","111.883","0.007","90","","5879.2","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H32 Co2 N6 O9 -","- C52 H32 Co2 N6 O9 -","- C208 H128 Co8 N24 O36 -","4","0.5","","Gong, Yun; Zhang, Miao Miao; Zhang, Pan; Shi, Hui Fang; Jiang, Peng Gang; Lin, Jian Hua","Metal‒organic frameworks based on 4-(4-carboxyphenyl)-2,2,4,4-terpyridine: structures, topologies and electrocatalytic behaviors in sodium laurylsulfonate aqueous solution","CrystEngComm","2014","16","42","9882","","10.1039/C4CE01506A","","","0.71073","MoKα","","0.0722","0.0596","","","0.2083","0.2201","","","","","","1.105","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217863","18.7063","0.0018","22.983","0.002","17.7139","0.0015","90","","105.866","0.002","90","","7325.6","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H58 Cu N8 O8 -","- C26 H19 Cu N3 O5.5 -","- C208 H152 Cu8 N24 O44 -","8","1","","Gong, Yun; Zhang, Miao Miao; Zhang, Pan; Shi, Hui Fang; Jiang, Peng Gang; Lin, Jian Hua","Metal‒organic frameworks based on 4-(4-carboxyphenyl)-2,2,4,4-terpyridine: structures, topologies and electrocatalytic behaviors in sodium laurylsulfonate aqueous solution","CrystEngComm","2014","16","42","9882","","10.1039/C4CE01506A","","","0.71073","MoKα","","0.1377","0.0811","","","0.227","0.247","","","","","","0.899","","","","has coordinates,has disorder","180509","2020-10-21","18:00:00",""
"7217864","31.4162","0.0016","31.4162","0.0016","14.1226","0.0014","90","","90","","120","","12071.3","1.5","296","2","296","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C18 H28.5 In N4.5 O13 -","- C14 H10.5 In N3.5 O8 -","- C252 H189 In18 N63 O144 -","18","1","","Wang, Jing; Luo, Jiahuan; Zhi, Bo; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Anion-templated assembly of three indium‒organic frameworks with diverse topologies","CrystEngComm","2014","16","42","9810","","10.1039/C4CE01326C","","","0.71073","MoKα","","0.05","0.0461","","","0.1256","0.1307","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217865","24.681","0.004","24.681","0.004","10.819","0.002","90","","90","","90","","6590.4","1.9","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C19 H29 In N4 O12 -","- C13 H7 In N2 O8 -","- C104 H56 In8 N16 O64 -","8","1","","Wang, Jing; Luo, Jiahuan; Zhi, Bo; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Anion-templated assembly of three indium‒organic frameworks with diverse topologies","CrystEngComm","2014","16","42","9810","","10.1039/C4CE01326C","","","0.71073","MoKα","","0.0753","0.0702","","","0.1936","0.197","","","","","","1.083","","","","has coordinates,has disorder","180509","2020-10-21","18:00:00",""
"7217866","27.59","0.003","27.59","0.003","27.59","0.003","90","","90","","90","","21002","4","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C18 H26 Cl In N4 O9 -","- C12 H6 Cl In N2 O4 -","- C288 H144 Cl24 In24 N48 O96 -","24","1","","Wang, Jing; Luo, Jiahuan; Zhi, Bo; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Anion-templated assembly of three indium‒organic frameworks with diverse topologies","CrystEngComm","2014","16","42","9810","","10.1039/C4CE01326C","","","0.71073","MoKα","","0.0677","0.051","","","0.1656","0.1717","","","","","","1.169","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217867","9.139","0.0011","9.306","0.001","9.7714","0.0012","85.131","0.01","65.297","0.013","71.185","0.011","713.44","0.17","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H16 N4 O7 -","- C12 H16 N4 O7 -","- C24 H32 N8 O14 -","2","2","","Leyssens, T.; Tumanova, N.; Robeyns, K.; Candoni, N.; Veesler, S.","Solution cocrystallization, an effective tool to explore the variety of cocrystal systems: caffeine/dicarboxylic acid cocrystals","CrystEngComm","2014","16","41","9603","","10.1039/C4CE01495B","","","0.71073","MoKα","","0.0609","0.058","","","0.1558","0.1595","","","","","","1.059","","","","has coordinates,has disorder","301864","2025-08-22","15:14:37",""
"7217868","21.3368","0.0009","17.052","0.0005","6.7877","0.0003","90","","93.674","0.004","90","","2464.53","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 N8 O8 -","- C22 H30 N8 O8 -","- C88 H120 N32 O32 -","4","1","","Leyssens, T.; Tumanova, N.; Robeyns, K.; Candoni, N.; Veesler, S.","Solution cocrystallization, an effective tool to explore the variety of cocrystal systems: caffeine/dicarboxylic acid cocrystals","CrystEngComm","2014","16","41","9603","","10.1039/C4CE01495B","","","0.82103","synchrotron","","0.0906","0.0721","","","0.1444","0.1504","","","","","","1.019","","","","has coordinates,has disorder","180509","2020-10-21","18:00:00",""
"7217869","7.6414","0.0006","15.7487","0.0009","39.13","0.003","90","","90","","90","","4709","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H26 N8 O8 -","- C21 H26 N8 O8 -","- C168 H208 N64 O64 -","8","1","","Leyssens, T.; Tumanova, N.; Robeyns, K.; Candoni, N.; Veesler, S.","Solution cocrystallization, an effective tool to explore the variety of cocrystal systems: caffeine/dicarboxylic acid cocrystals","CrystEngComm","2014","16","41","9603","","10.1039/C4CE01495B","","","0.71073","MoKα","","0.0857","0.0503","","","0.1264","0.1469","","","","","","1.034","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7217870","8.5926","0.0003","18.4382","0.0007","14.9164","0.0005","90","","92.437","0.003","90","","2361.1","0.15","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 N8 O8 -","- C21 H26 N8 O8 -","- C84 H104 N32 O32 -","4","1","","Leyssens, T.; Tumanova, N.; Robeyns, K.; Candoni, N.; Veesler, S.","Solution cocrystallization, an effective tool to explore the variety of cocrystal systems: caffeine/dicarboxylic acid cocrystals","CrystEngComm","2014","16","41","9603","","10.1039/C4CE01495B","","","0.71073","MoKα","","0.0812","0.0646","","","0.1674","0.1798","","","","","","1.05","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7217871","7.9317","0.0006","8.2797","0.0002","20.4795","0.0015","89.975","0.006","83.335","0.006","61.808","0.006","1175.1","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N8 O8 -","- C21 H26 N8 O8 -","- C42 H52 N16 O16 -","2","1","","Leyssens, T.; Tumanova, N.; Robeyns, K.; Candoni, N.; Veesler, S.","Solution cocrystallization, an effective tool to explore the variety of cocrystal systems: caffeine/dicarboxylic acid cocrystals","CrystEngComm","2014","16","41","9603","","10.1039/C4CE01495B","","","0.71073","MoKα","","0.0704","0.0651","","","0.1626","0.1662","","","","","","1.126","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7217872","44.164","0.003","3.94516","0.00019","27.676","0.003","90","","96.236","0.008","90","","4793.6","0.7","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C44 H55 N17 O16 -","- C44 H55 N17 O16 -","- C176 H220 N68 O64 -","4","1","","Leyssens, T.; Tumanova, N.; Robeyns, K.; Candoni, N.; Veesler, S.","Solution cocrystallization, an effective tool to explore the variety of cocrystal systems: caffeine/dicarboxylic acid cocrystals","CrystEngComm","2014","16","41","9603","","10.1039/C4CE01495B","","","0.82103","synchrotron","","0.1003","0.0951","","","0.2474","0.2544","","","","","","1.037","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7217888","23.361","0.002","23.361","0.002","12.248","0.002","90","","90","","90","","6684.2","1.4","100","3","100","3","","","","","","","","4","P -4","P -4","81","","","","- C19 H94 N O33.7 -","- C19.128 H79.4232 N1.008 O33.6752 -","- C95.64 H397.116 N5.04 O168.376 -","5","1.25","","Muromachi, Sanehiro; Abe, Toru; Yamamoto, Yoshitaka; Takeya, Satoshi","Hydration structures of lactic acid: characterization of the ionic clathrate hydrate formed with a biological organic acid anion.","Physical chemistry chemical physics : PCCP","2014","16","39","21467","21472","10.1039/c4cp03444a","","","0.7107","MoKα","","0.0933","0.0792","","","0.213","0.2231","","","","","","1.057","","","","has coordinates,has disorder","180509","2020-10-21","18:00:00",""
"7217900","14.1492","0.0011","14.633","0.003","18.3617","0.0015","90","","92.289","0.007","90","","3798.7","0.9","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 F6 Ir N4 P -","- C44 H36 F6 Ir N4 P -","- C176 H144 F24 Ir4 N16 P4 -","4","1","","Fan, Shengqiang; Zong, Xu; Shaw, Paul E.; Wang, Xin; Geng, Yan; Smith, Arthur R. G.; Burn, Paul L.; Wang, Lianzhou; Lo, Shih-Chun","Energetic requirements of iridium(iii) complex based photosensitisers in photocatalytic hydrogen generation.","Physical chemistry chemical physics : PCCP","2014","16","39","21577","21585","10.1039/c4cp02997f","","x-ray","0.71073","MoKα","","0.1136","0.056","","","0.109","0.1209","","","","","","0.884","","","","has coordinates,has disorder","180510","2020-10-21","18:00:00",""
"7217975","26.73","0.04","6.863","0.008","13.068","0.018","90","","110.22","0.07","90","","2250","5","293","2","293","2","4800000","","4800000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichlorido(1,2-bis(dimethylphosphino)benzene)germanium(II)","","- C10 H16 Cl2 Ge P2 -","- C10 H16 Cl2 Ge P2 -","- C80 H128 Cl16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.4859","Synchrotron","","0.1416","0.0938","","","0.1526","0.1784","","","","","","1.126","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217976","27.82","0.08","7.38","0.02","13.96","0.04","90","","109.73","0.16","90","","2698","13","293","2","293","2","100000","","100000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichlorido(1,2-bis(dimethylphosphino)benzene)germanium(II)","","- C10 H16 Cl2 Ge P2 -","- C10 H16 Cl2 Ge P2 -","- C80 H128 Cl16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry – an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.4859","synchrotron","","0.1696","0.098","","","0.2153","0.2795","","","","","","1.096","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7217977","27.99","0.04","7.325","0.01","13.88","0.02","90","","110.29","0.08","90","","2669","7","293","2","293","2","1100000","","1100000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichlorido(1,2-bis(dimethylphosphino)benzene)germanium(II)","","- C10 H16 Cl2 Ge P2 -","- C10 H16 Cl2 Ge P2 -","- C80 H128 Cl16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry – an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.4859","Synchrotron","","0.1813","0.1238","","","0.2272","0.2733","","","","","","1.092","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7217978","27.691","0.016","7.225","0.003","13.704","0.004","90","","110","0.03","90","","2576","2","293","2","293","","1400000","","1400000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichlorido(1,2-bis(dimethylphosphino)benzene)germanium(II)","","- C10 H16 Cl2 Ge P2 -","- C10 H16 Cl2 Ge P2 -","- C80 H128 Cl16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry – an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.4859","synchrotron","","0.1954","0.1138","","","0.2252","0.2981","","","","","","1.123","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7217979","27.38","0.008","7.0724","0.0014","13.445","0.002","90","","110.187","0.015","90","","2443.6","1","293","2","293.15","","3000000","","3000000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichlorido(1,2-bis(dimethylphosphino)benzene)germanium(II)","","- C10 H16 Cl2 Ge P2 -","- C10 H16 Cl2 Ge P2 -","- C80 H128 Cl16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.4859","synchrotron","","0.1795","0.1115","","","0.2177","0.2822","","","","","","1.114","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217980","26.91","0.04","6.962","0.008","13.249","0.018","90","","110.3","0.07","90","","2328","5","293","2","293","2","3800000","","3800000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichlorido(1,2-bis(dimethylphosphino)benzene)germanium(II)","","- C10 H16 Cl2 Ge P2 -","- C10 H16 Cl2 Ge P2 -","- C80 H128 Cl16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.4859","Synchrotron","","0.1471","0.0969","","","0.1691","0.203","","","","","","1.004","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217981","24.3","0.13","6.83","0.03","13.37","0.07","90","","92.3","0.3","90","","2217","19","293","2","293","","9400000","","9400000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibromo(1,2-bis(dimethylphosphino)benzene-P,P')germanium(II)","","- C10 H16 Br2 Ge P2 -","- C10 H16 Br2 Ge P2 -","- C80 H128 Br16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry – an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.6889","synchrotron","","0.1391","0.1005","","","0.2415","0.2729","","","","","","1.121","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7217982","29.46","0.04","7.628","0.009","14.51","0.017","90","","111.334","0.018","90","","3037","7","293","","293","","100","","100","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibromo(1,2-bis(dimethylphosphino)benzene-P,P')germanium(II)","","- C10 H16 Br2 Ge P2 -","- C10 H16 Br2 Ge P2 -","- C80 H128 Br16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry – an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.6889","synchrotron","","0.1311","0.0792","","","0.1522","0.1904","","","","","","1.156","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7217983","29.22","0.04","7.578","0.008","14.434","0.018","90","","111.13","0.02","90","","2981","6","293","2","293","","200000","","200000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibromo(1,2-bis(dimethylphosphino)benzene-P,P')germanium(II)","","- C10 H16 Br2 Ge P2 -","- C10 H16 Br2 Ge P2 -","- C80 H128 Br16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry – an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.6889","synchrotron","","0.183","0.0909","","","0.2416","0.349","","","","","","1.029","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7217984","28.41","0.03","7.339","0.005","14.008","0.013","90","","111.53","0.02","90","","2717","4","293","2","293","","1100000","","1100000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibromo(1,2-bis(dimethylphosphino)benzene-P,P')germanium(II)","","- C10 H16 Br2 Ge P2 -","- C10 H16 Br2 Ge P2 -","- C80 H128 Br16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.6889","synchrotron","","0.1468","0.0838","","","0.2366","0.3289","","","","","","1.179","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217985","27.88","0.03","7.166","0.006","13.692","0.013","90","","111.678","0.015","90","","2542","4","293","2","293","","2700000","","2700000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibromo(1,2-bis(dimethylphosphino)benzene-P,P')germanium(II)","","- C10 H16 Br2 Ge P2 -","- C10 H16 Br2 Ge P2 -","- C80 H128 Br16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.6889","synchrotron","","0.1132","0.083","","","0.2495","0.3198","","","","","","1.286","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217986","25.79","0.1","7.17","0.03","14.06","0.05","90","","92.24","0.08","90","","2598","17","293","2","293","","4100000","","4100000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibromo(1,2-bis(dimethylphosphino)benzene-P,P')germanium(II)","","- C10 H16 Br2 Ge P2 -","- C10 H16 Br2 Ge P2 -","- C80 H128 Br16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry – an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.6889","synchrotron","","0.178","0.1146","","","0.2847","0.3481","","","","","","1.106","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7217987","24.773","0.01","6.98","0.03","13.67","0.05","90","","92.25","0.11","90","","2362","13","293","2","293","","5400000","","5400000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibromo(1,2-bis(dimethylphosphino)benzene-P,P')germanium(II)","","- C10 H16 Br2 Ge P2 -","- C10 H16 Br2 Ge P2 -","- C80 H128 Br16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry – an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.6889","synchrotron","","0.1576","0.1077","","","0.2252","0.2628","","","","","","1.046","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7217988","24.73","0.06","6.956","0.013","13.63","0.03","90","","92.59","0.06","90","","2342","9","293","2","293","","6300000","","6300000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibromo(1,2-bis(dimethylphosphino)benzene-P,P')germanium(II)","","- C10 H16 Br2 Ge P2 -","- C10 H16 Br2 Ge P2 -","- C80 H128 Br16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry – an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.6889","","","0.1659","0.1072","","","0.234","0.2808","","","","","","1.118","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7217989","24.56","0.16","6.89","0.04","13.52","0.08","90","","92.65","0.18","90","","2285","2","293","2","293","","8000000","","100000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibromo(1,2-bis(dimethylphosphino)benzene-P,P')germanium(II)","","- C10 H16 Br2 Ge P2 -","- C10 H16 Br2 Ge P2 -","- C80 H128 Br16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry – an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.6889","","","0.1591","0.103","","","0.2284","0.2652","","","","","","1.065","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218021","20.184","0.004","20.184","0.004","13.719","0.003","90","","90","","90","","5589","2","150","2","150","2","","","","","","","","5","I 41","I 4bw","80","","","","- C32 H32 Co N2 O5 -","- C32 H32 Co N2 O5 -","- C256 H256 Co8 N16 O40 -","8","1","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71075","MoKα","","0.0339","0.0334","","","0.0886","0.0891","","","","","","0.852","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218036","6.0187","0.0003","5.3451","0.0003","9.9651","0.0004","90","","92.604","0.002","90","","320.25","0.03","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,5-dichloro 1,4-benzoquinone","","","- C6 H2 Cl2 O2 -","- C6 H2 Cl2 O2 -","- C12 H4 Cl4 O4 -","2","0.5","","Vijaya Pandiyan, B.; Deepa, P.; Kolandaivel, P.","On the nature of non-covalent interactions in isomers of 2,5-dichloro-1,4-benzoquinone dimers - ground- and excited-state properties.","Physical chemistry chemical physics : PCCP","2014","16","37","19928","19940","10.1039/c4cp02484b","","x-ray","0.71073","MoKα","","0.0157","0.0116","","","","0.016","","","","","","1.003","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218037","22.9973","0.0004","22.9973","0.0004","22.5955","0.0007","90","","90","","90","","11950.2","0.5","293","2","293","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C102 H131 Cd3 N2 O47.5 -","- C102 H104 Cd3 N2 O47.5 -","- C408 H416 Cd12 N8 O190 -","4","0.5","","Jiang, Wei; Zhang, Hang; Yang, Jin; Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang","Three resorcin[4]arene-based complexes with Cu(ii)-exchange characteristics and fluorescence sensing of polyoxometalates in aqueous solutions","CrystEngComm","2014","16","41","9638","","10.1039/C4CE01376J","","","0.71073","MoKα","","0.2048","0.1146","","","0.2694","0.3376","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218038","17.6923","0.0007","15.6746","0.0007","42.594","0.0011","90","","90","","90","","11812.2","0.8","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C96 H96 O36 Zn4 -","- C96 H88 O36 Zn4 -","- C384 H352 O144 Zn16 -","4","1","","Jiang, Wei; Zhang, Hang; Yang, Jin; Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang","Three resorcin[4]arene-based complexes with Cu(ii)-exchange characteristics and fluorescence sensing of polyoxometalates in aqueous solutions","CrystEngComm","2014","16","41","9638","","10.1039/C4CE01376J","","","1.54184","CuKα","","0.1247","0.0998","","","0.2696","0.2953","","","","","","1.011","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218039","11.8811","0.0006","20.9902","0.0014","21.3711","0.0011","79.558","0.005","81.534","0.004","86.36","0.005","5180.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C206 H250 Mn9 N4 O94 -","- C206 H206 Mn9 N4 O94 -","- C206 H206 Mn9 N4 O94 -","1","0.5","","Jiang, Wei; Zhang, Hang; Yang, Jin; Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang","Three resorcin[4]arene-based complexes with Cu(ii)-exchange characteristics and fluorescence sensing of polyoxometalates in aqueous solutions","CrystEngComm","2014","16","41","9638","","10.1039/C4CE01376J","","","0.71073","MoKα","","0.2061","0.0962","","","0.2144","0.2808","","","","","","1.025","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218040","12.2409","0.0006","13.5072","0.0007","20.2897","0.0014","103.942","0.01","100.864","0.008","93.222","0.005","3179.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H87 N O18 Zn2 -","- C62 H65 N O18 Zn2 -","- C124 H130 N2 O36 Zn4 -","2","1","","Li, Xiao-Tong; Li, Jing; Li, Meng; Liu, Ying-Ying; Song, Shu-Yan; Ma, Jian-Fang","An unusual lamellar framework constructed from a tetracarboxylatocalix[4]arene with highly efficient metal-ion exchange","CrystEngComm","2014","16","40","9520","","10.1039/C4CE01463D","","","0.71073","MoKα","","0.0643","0.0467","","","0.1191","0.132","","","","","","1.029","","","","has coordinates,has disorder","180511","2020-10-21","18:00:00",""
"7218041","11.969","0.001","14.298","0.002","19.673","0.0013","88.059","0.004","89.676","0.006","83.535","0.005","3343.4","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H194 N4 O45 Zn2 -","- C120 H126 N4 O45 Zn2 -","- C120 H126 N4 O45 Zn2 -","1","0.5","","Li, Xiao-Tong; Li, Jing; Li, Meng; Liu, Ying-Ying; Song, Shu-Yan; Ma, Jian-Fang","An unusual lamellar framework constructed from a tetracarboxylatocalix[4]arene with highly efficient metal-ion exchange","CrystEngComm","2014","16","40","9520","","10.1039/C4CE01463D","","","0.71069","MoKα","","0.1189","0.0737","","","0.1698","0.1934","","","","","","1.12","","","","has coordinates,has disorder","180511","2020-10-21","18:00:00",""
"7218042","11.9388","0.0014","15.036","0.002","20.9814","0.0012","84.88","0.006","80.637","0.004","71.171","0.003","3514.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H94 Cd2 N2 O20 -","- C66 H72 Cd2 N2 O20 -","- C132 H144 Cd4 N4 O40 -","2","1","","Li, Xiao-Tong; Li, Jing; Li, Meng; Liu, Ying-Ying; Song, Shu-Yan; Ma, Jian-Fang","An unusual lamellar framework constructed from a tetracarboxylatocalix[4]arene with highly efficient metal-ion exchange","CrystEngComm","2014","16","40","9520","","10.1039/C4CE01463D","","","0.71073","MoKα","","0.1333","0.0871","","","0.1744","0.1965","","","","","","1.114","","","","has coordinates,has disorder","180511","2020-10-21","18:00:00",""
"7218049","33.174","0.007","5.5878","0.0011","20.516","0.004","90","","127.93","0.03","90","","2999.7","1.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 N2 O4 P Zn -","- C14 H16 N2 O4 P Zn -","- C112 H128 N16 O32 P8 Zn8 -","8","1","","Zhou, Ming-Jie; Li, Bing; Liu, Li; Feng, Yan-Long; Guo, Jian-Zhong","Two polymorphs of zinc(ii) coordination polymers constructed from 2-carboxyethyl(phenyl)phosphinate and 1,4-bis(1H-imidazol-1-yl)butane ligands","CrystEngComm","2014","16","43","10034","","10.1039/C4CE01102C","","","0.71073","MoKα","","0.0896","0.0502","","","0.1083","0.1562","","","","","","1.144","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218050","11.496","0.002","13.665","0.003","11.051","0.002","90","","116.53","0.03","90","","1553.2","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O4 P Zn -","- C14 H16 N2 O4 P Zn -","- C56 H64 N8 O16 P4 Zn4 -","4","1","","Zhou, Ming-Jie; Li, Bing; Liu, Li; Feng, Yan-Long; Guo, Jian-Zhong","Two polymorphs of zinc(ii) coordination polymers constructed from 2-carboxyethyl(phenyl)phosphinate and 1,4-bis(1H-imidazol-1-yl)butane ligands","CrystEngComm","2014","16","43","10034","","10.1039/C4CE01102C","","","0.71073","MoKα","","0.062","0.0544","","","0.164","0.1681","","","","","","1.139","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218051","4.0513","0.0009","11.154","0.002","12.902","0.003","104.617","0.011","94.207","0.011","94.195","0.012","560.1","0.2","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","1,5-dimethyl-3-(p-ethynylphenyl)-6-oxoverdazyl","","- C12 H11 N4 O -","- C12 H11 N4 O -","- C24 H22 N8 O2 -","2","1","","Merhi, Areej; Roisnel, Thierry; Rigaut, Stéphane; Train, Cyrille; Norel, Lucie","Ferromagnetic intermolecular exchange interaction in ethynyl-verdazyl radical crystals","CrystEngComm","2014","16","42","9783","","10.1039/C4CE01437E","","x-ray","0.71073","MoKα","","0.0959","0.0537","","","0.1406","0.1663","","","","","","0.993","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218052","3.994","0.0004","11.1412","0.0009","12.8857","0.0011","104.875","0.004","94.557","0.004","93.967","0.004","550.03","0.09","200","2","200","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C12 H11 N4 O -","- C12 H11 N4 O -","- C24 H22 N8 O2 -","2","1","","Merhi, Areej; Roisnel, Thierry; Rigaut, Stéphane; Train, Cyrille; Norel, Lucie","Ferromagnetic intermolecular exchange interaction in ethynyl-verdazyl radical crystals","CrystEngComm","2014","16","42","9783","","10.1039/C4CE01437E","","x-ray","0.71073","MoKα","","0.0763","0.0502","","","0.1192","0.134","","","","","","0.957","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218053","3.9458","0.0002","11.1337","0.0004","12.8406","0.0005","105.091","0.002","95.1","0.002","93.601","0.002","540.32","0.04","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C12 H11 N4 O -","- C12 H11 N4 O -","- C24 H22 N8 O2 -","2","1","","Merhi, Areej; Roisnel, Thierry; Rigaut, Stéphane; Train, Cyrille; Norel, Lucie","Ferromagnetic intermolecular exchange interaction in ethynyl-verdazyl radical crystals","CrystEngComm","2014","16","42","9783","","10.1039/C4CE01437E","","x-ray","0.71073","MoKα","","0.0609","0.047","","","0.1207","0.1299","","","","","","1.014","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218054","9.536","0.0003","12.7918","0.0005","13.7773","0.0005","73.402","0.003","80.926","0.003","68.325","0.003","1494.11","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 Cd Cl2 N10 -","- C26 H30 Cd Cl2 N10 -","- C52 H60 Cd2 Cl4 N20 -","2","1","","Liang, Guorui; Liu, Yaru; Zhang, Xiao; Yi, Zhihui","Anion-dependent assemblies of a series of Cd(ii) coordination complexes based on an asymmetric multi-dentate ligand and inorganic SBUs: syntheses, crystal structures, and fluorescent properties","CrystEngComm","2014","16","42","9896","","10.1039/C4CE01456A","","","1.54184","CuKα","","0.0334","0.0295","","","0.0765","0.0793","","","","","","1.017","","","","has coordinates,has disorder","180511","2020-10-21","18:00:00",""
"7218055","9.4788","0.0004","10.2419","0.0005","10.5173","0.0002","95.716","0.003","99.798","0.003","109.484","0.004","934.99","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Cd N7 S2 -","- C15 H15 Cd N7 S2 -","- C30 H30 Cd2 N14 S4 -","2","1","","Liang, Guorui; Liu, Yaru; Zhang, Xiao; Yi, Zhihui","Anion-dependent assemblies of a series of Cd(ii) coordination complexes based on an asymmetric multi-dentate ligand and inorganic SBUs: syntheses, crystal structures, and fluorescent properties","CrystEngComm","2014","16","42","9896","","10.1039/C4CE01456A","","","1.54184","CuKα","","0.0364","0.0351","","","0.0959","0.0977","","","","","","1.039","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218056","12.46876","0.00011","15.99954","0.00013","19.46996","0.00019","90","","103.059","0.0009","90","","3783.7","0.06","293","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 Cd2 Cl2 N16 O2 -","- C28 H38 Cd2 Cl2 N16 O2 -","- C112 H152 Cd8 Cl8 N64 O8 -","4","1","","Liang, Guorui; Liu, Yaru; Zhang, Xiao; Yi, Zhihui","Anion-dependent assemblies of a series of Cd(ii) coordination complexes based on an asymmetric multi-dentate ligand and inorganic SBUs: syntheses, crystal structures, and fluorescent properties","CrystEngComm","2014","16","42","9896","","10.1039/C4CE01456A","","","1.5418","CuKα","","0.0305","0.028","","","0.076","0.0783","","","","","","1.045","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218057","9.3734","0.0005","18.5736","0.0005","9.2232","0.0003","90","","107.887","0.005","90","","1528.12","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cd Cl2 N5 -","- C13 H15 Cd Cl2 N5 -","- C52 H60 Cd4 Cl8 N20 -","4","1","","Liang, Guorui; Liu, Yaru; Zhang, Xiao; Yi, Zhihui","Anion-dependent assemblies of a series of Cd(ii) coordination complexes based on an asymmetric multi-dentate ligand and inorganic SBUs: syntheses, crystal structures, and fluorescent properties","CrystEngComm","2014","16","42","9896","","10.1039/C4CE01456A","","","1.54184","CuKα","","0.0321","0.0279","","","0.0725","0.0761","","","","","","1.042","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218058","9.555","0.001","9.8491","0.0012","9.885","0.0009","72.948","0.01","68.962","0.009","86.711","0.01","828.88","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 Cd N11 -","- C13 H15 Cd N11 -","- C26 H30 Cd2 N22 -","2","1","","Liang, Guorui; Liu, Yaru; Zhang, Xiao; Yi, Zhihui","Anion-dependent assemblies of a series of Cd(ii) coordination complexes based on an asymmetric multi-dentate ligand and inorganic SBUs: syntheses, crystal structures, and fluorescent properties","CrystEngComm","2014","16","42","9896","","10.1039/C4CE01456A","","","1.54184","CuKα","","0.0249","0.0232","","","0.0584","0.0594","","","","","","1.053","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218059","26.5918","0.0009","13.5595","0.0005","18.1128","0.0006","90","","94.582","0.003","90","","6510.1","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H34 Cd N12 O7 -","- C27 H34 Cd N12 O7 -","- C216 H272 Cd8 N96 O56 -","8","1","","Liang, Guorui; Liu, Yaru; Zhang, Xiao; Yi, Zhihui","Anion-dependent assemblies of a series of Cd(ii) coordination complexes based on an asymmetric multi-dentate ligand and inorganic SBUs: syntheses, crystal structures, and fluorescent properties","CrystEngComm","2014","16","42","9896","","10.1039/C4CE01456A","","","0.71073","MoKα","","0.0688","0.0483","","","0.1063","0.1193","","","","","","1.05","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218060","14.4906","0.0004","13.7504","0.0005","18.9091","0.0007","90","","95.28","0.003","90","","3751.7","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H62 Cu2 Mo8 N16 O26 -","- C60 H62 Cu2 Mo8 N16 O26 -","- C120 H124 Cu4 Mo16 N32 O52 -","2","0.5","","Hao, Xiu-Li; Ma, Yuan-Yuan; Wang, Yong-Hui; Zang, Hong-Ying; Li, Yang-Guang","Isopolymolybdate-induced organic‒inorganic hybrid assemblies with copper ions and bichelate-bridging ligands","CrystEngComm","2014","16","43","10017","","10.1039/C4CE01591F","","","0.71073","MoKα","","0.08","0.0422","","","0.0757","0.0887","","","","","","0.959","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218061","17.359","0.0006","12.5591","0.0004","25.123","0.0007","90","","90","","90","","5477.2","0.3","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C48 H40 Cu2 Mo6 N12 O19 -","- C48 H40 Cu2 Mo6 N12 O19 -","- C192 H160 Cu8 Mo24 N48 O76 -","4","0.5","","Hao, Xiu-Li; Ma, Yuan-Yuan; Wang, Yong-Hui; Zang, Hong-Ying; Li, Yang-Guang","Isopolymolybdate-induced organic–inorganic hybrid assemblies with copper ions and bichelate-bridging ligands","CrystEngComm","2014","16","43","10017","","10.1039/C4CE01591F","","","0.71073","MoKα","","0.082","0.0438","","","0.0716","0.0861","","","","","","0.987","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218062","10.4332","0.0002","15.1148","0.0003","20.2219","0.0005","90","","109.501","0.002","90","","3005.98","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H44 Cu2 Mo8 N12 O28 -","- C48 H40 Cu2 Mo8 N12 O26 -","- C96 H80 Cu4 Mo16 N24 O52 -","2","0.5","","Hao, Xiu-Li; Ma, Yuan-Yuan; Wang, Yong-Hui; Zang, Hong-Ying; Li, Yang-Guang","Isopolymolybdate-induced organic‒inorganic hybrid assemblies with copper ions and bichelate-bridging ligands","CrystEngComm","2014","16","43","10017","","10.1039/C4CE01591F","","","0.71073","MoKα","","0.0354","0.0259","","","0.0604","0.0658","","","","","","1.022","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218063","15.307","0.003","21.194","0.004","15.805","0.003","90","","110.53","0.03","90","","4801.8","1.9","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H70 Cu4 Mo8 N24 O29 -","- C80 H64 Cu4 Mo8 N24 O29 -","- C160 H128 Cu8 Mo16 N48 O58 -","2","0.5","","Hao, Xiu-Li; Ma, Yuan-Yuan; Wang, Yong-Hui; Zang, Hong-Ying; Li, Yang-Guang","Isopolymolybdate-induced organic‒inorganic hybrid assemblies with copper ions and bichelate-bridging ligands","CrystEngComm","2014","16","43","10017","","10.1039/C4CE01591F","","","0.71073","MoKα","","0.063","0.0417","","","0.0835","0.091","","","","","","1.02","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218064","14.8527","0.0006","15.7723","0.0005","17.4004","0.0006","72.343","0.003","66.337","0.004","63.668","0.003","3306.9","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H96 Cu4 Mo16 N24 O60 -","- C96 H80 Cu4 Mo16 N24 O60 -","- C96 H80 Cu4 Mo16 N24 O60 -","1","0.5","","Hao, Xiu-Li; Ma, Yuan-Yuan; Wang, Yong-Hui; Zang, Hong-Ying; Li, Yang-Guang","Isopolymolybdate-induced organic‒inorganic hybrid assemblies with copper ions and bichelate-bridging ligands","CrystEngComm","2014","16","43","10017","","10.1039/C4CE01591F","","","0.71073","MoKα","","0.1508","0.0721","","","0.1292","0.1706","","","","","","1.008","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218065","22.82","0.005","14.239","0.003","25.933","0.005","90","","91.55","0.03","90","","8423","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H62 Cu4 Mo8 N18 O27 -","- C72 H60 Cu4 Mo8 N18 O27 -","- C288 H240 Cu16 Mo32 N72 O108 -","4","0.5","","Hao, Xiu-Li; Ma, Yuan-Yuan; Wang, Yong-Hui; Zang, Hong-Ying; Li, Yang-Guang","Isopolymolybdate-induced organic‒inorganic hybrid assemblies with copper ions and bichelate-bridging ligands","CrystEngComm","2014","16","43","10017","","10.1039/C4CE01591F","","","0.71073","MoKα","","0.131","0.0608","","","0.1101","0.1326","","","","","","1.02","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218066","13.7656","0.0006","14.8306","0.0006","16.0531","0.0005","117.47","0.003","109.431","0.003","91.167","0.003","2682.3","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H80 Cu4 Mo8 N24 O26 -","- C96 H80 Cu4 Mo8 N24 O26 -","- C96 H80 Cu4 Mo8 N24 O26 -","1","0.5","","Hao, Xiu-Li; Ma, Yuan-Yuan; Wang, Yong-Hui; Zang, Hong-Ying; Li, Yang-Guang","Isopolymolybdate-induced organic‒inorganic hybrid assemblies with copper ions and bichelate-bridging ligands","CrystEngComm","2014","16","43","10017","","10.1039/C4CE01591F","","","0.71073","MoKα","","0.1123","0.0586","","","0.1202","0.1471","","","","","","0.957","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218072","9.7465","0.0002","14.0652","0.0004","15.5029","0.0004","90","","93.217","0.001","90","","2121.89","0.09","113","","113","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tetrabutylphosphonium hexafluorophosphate","","","- C16 H36 F6 P2 -","- C16 H36 F6 P2 -","- C64 H144 F24 P8 -","4","1","","Matsumoto, Kazuhiko; Harinaga, Ukyo; Tanaka, Ryo; Koyama, Akira; Hagiwara, Rika; Tsunashima, Katsuhiko","The structural classification of the highly disordered crystal phases of [Nn][BF4], [Nn][PF6], [Pn][BF4], and [Pn][PF6] salts (Nn(+) = tetraalkylammonium and Pn(+) = tetraalkylphosphonium).","Physical chemistry chemical physics : PCCP","2014","16","43","23616","23626","10.1039/c4cp03391d","","","0.71073","MoKα","","0.0435","0.0398","","","0.1041","0.1065","","","","","","1.06","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218073","9.8567","0.0012","14.1385","0.0017","15.777","0.002","90","","92.422","0.003","90","","2196.7","0.5","243","","243","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tetrabutylphosphonium hexafluorophosphate","","","- C16 H36 F6 P2 -","- C16 H36 F5.98 P2 -","- C64 H144 F23.92 P8 -","4","1","","Matsumoto, Kazuhiko; Harinaga, Ukyo; Tanaka, Ryo; Koyama, Akira; Hagiwara, Rika; Tsunashima, Katsuhiko","The structural classification of the highly disordered crystal phases of [Nn][BF4], [Nn][PF6], [Pn][BF4], and [Pn][PF6] salts (Nn(+) = tetraalkylammonium and Pn(+) = tetraalkylphosphonium).","Physical chemistry chemical physics : PCCP","2014","16","43","23616","23626","10.1039/c4cp03391d","","","0.71073","MoKα","","0.0849","0.0624","","","0.184","0.2073","","","","","","1.098","","","","has coordinates,has disorder","180511","2020-10-21","18:00:00",""
"7218074","9.9807","0.0009","13.8901","0.0015","16.2367","0.0016","90","","90","","90","","2250.9","0.4","273","","273","","","","","","","","","4","P m c n","-P 2n 2a","62","tetrabutylphosphonium hexafluorophosphate","","","- C16 H36 F6 P2 -","- C16 H36 F6.0008 P2 -","- C64 H144 F24.0032 P8 -","4","0.5","","Matsumoto, Kazuhiko; Harinaga, Ukyo; Tanaka, Ryo; Koyama, Akira; Hagiwara, Rika; Tsunashima, Katsuhiko","The structural classification of the highly disordered crystal phases of [Nn][BF4], [Nn][PF6], [Pn][BF4], and [Pn][PF6] salts (Nn(+) = tetraalkylammonium and Pn(+) = tetraalkylphosphonium).","Physical chemistry chemical physics : PCCP","2014","16","43","23616","23626","10.1039/c4cp03391d","","","0.71073","MoKα","","0.1426","0.0951","","","0.3034","0.3493","","","","","","1.137","","","","has coordinates,has disorder","180511","2020-10-21","18:00:00",""
"7218075","15.142","0.017","15.142","0.017","15.142","0.017","90","","90","","90","","3472","7","333","","333","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","tetrabutylphosphonium hexafluorophosphate","","","- C12 F6 P2 -","- C12 F6 P2 -","- C72 F36 P12 -","6","0.125","","Matsumoto, Kazuhiko; Harinaga, Ukyo; Tanaka, Ryo; Koyama, Akira; Hagiwara, Rika; Tsunashima, Katsuhiko","The structural classification of the highly disordered crystal phases of [Nn][BF4], [Nn][PF6], [Pn][BF4], and [Pn][PF6] salts (Nn(+) = tetraalkylammonium and Pn(+) = tetraalkylphosphonium).","Physical chemistry chemical physics : PCCP","2014","16","43","23616","23626","10.1039/c4cp03391d","","","0.71073","MoKα","","0.4106","0.3071","","","0.657","0.7083","","","","","","1.812","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218079","16.417","0.002","16.417","0.002","6.598","0.002","90","","90","","90","","1778.3","0.6","298","2","298","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C28 H40 Cu N5 O7 -","- C28 H32 Cu N5 O7 -","- C56 H64 Cu2 N10 O14 -","2","0.25","","Wu, Jian; Liu, Jian-Qiang; Jia, Zhen-Bin; Li, Qing-Lin; Li, Kai-Bang; Li, Hao; Daiguebonne, Carole; Calvez, Guillaume; Guillou, Olivier","A new 3D four-fold interpenetrateddia-like polymer: gas sorption and computational analyses","CrystEngComm","2014","16","45","10410","","10.1039/C4CE01404A","","","0.71073","MoKα","","0.1116","0.0482","","","0.0823","0.0987","","","","","","1.008","","","","has coordinates,has disorder","180511","2020-10-21","18:00:00",""
"7218080","11.18331","0.00013","12.02706","0.00013","15.06878","0.00016","91.5953","0.0009","91.9937","0.0009","96.6478","0.0009","2010.9","0.04","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H18 B F N2 O -","- C26 H18 B F N2 O -","- C104 H72 B4 F4 N8 O4 -","4","2","","Wesela-Bauman, Grzegorz; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof","Charge transfer properties of two polymorphs of luminescent (2-fluoro-3-pyridyl)(2,2'-biphenyl)borinic 8-oxyquinolinate.","Physical chemistry chemical physics : PCCP","2014","16","41","22762","22774","10.1039/c4cp02606c","","","0.71073","MoKα","","0.0467","0.042","","0.0789","0.0759","0.0789","","","","","","1","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218081","12.3765","0.0007","14.9478","0.0009","21.9246","0.0013","90","","90","","90","","4056.1","0.4","100","","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C26 H18 B F N2 O -","- C26 H18 B F N2 O -","- C208 H144 B8 F8 N16 O8 -","8","2","","Wesela-Bauman, Grzegorz; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof","Charge transfer properties of two polymorphs of luminescent (2-fluoro-3-pyridyl)(2,2'-biphenyl)borinic 8-oxyquinolinate.","Physical chemistry chemical physics : PCCP","2014","16","41","22762","22774","10.1039/c4cp02606c","","","0.71073","MoKα","","0.0476","0.0445","","0.1047","0.1031","0.1047","","","","","","0.9997","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218088","9.0885","0.0019","10.008","0.002","10.316","0.002","84.68","0.003","83.399","0.003","66.85","0.003","855.9","0.3","123","2","123","2","","","","","","","","5","P 1","P 1","1","","","","- C33 H38 Ag N5 O7 -","- C33 H38 Ag N5 O7 -","- C33 H38 Ag N5 O7 -","1","1","","Cheng, Lin; Wang, Jun; Qi, Qi; Zhang, Xiuying; Yu, Haiyan; Gou, Shaohua; Fang, Lei","Temperature-induced one-dimensional chiral Ag(i) linear chains and left-handed 21helices: DFT studies, luminescence and SHG response","CrystEngComm","2014","16","43","10056","","10.1039/C4CE01601G","","","0.71073","MoKα","","0.0923","0.0841","","","0.1743","0.1811","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218089","10.9284","0.0012","13.1429","0.0014","23.209","0.002","90","","90","","90","","3333.5","0.6","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 Ag N5 O8 -","- C32 H38 Ag N5 O8 -","- C128 H152 Ag4 N20 O32 -","4","1","","Cheng, Lin; Wang, Jun; Qi, Qi; Zhang, Xiuying; Yu, Haiyan; Gou, Shaohua; Fang, Lei","Temperature-induced one-dimensional chiral Ag(i) linear chains and left-handed 21helices: DFT studies, luminescence and SHG response","CrystEngComm","2014","16","43","10056","","10.1039/C4CE01601G","","","0.71073","MoKα","","0.096","0.0594","","","0.1467","0.1686","","","","","","1.073","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218090","9.1852","0.0015","10.2742","0.0017","10.3527","0.0017","84.69","0.002","83.518","0.002","65.526","0.002","882.4","0.3","123","2","123","2","","","","","","","","6","P 1","P 1","1","","","","- C33 H38 Ag Cl N4 O8 -","- C33 H38 Ag Cl N4 O8 -","- C33 H38 Ag Cl N4 O8 -","1","1","","Cheng, Lin; Wang, Jun; Qi, Qi; Zhang, Xiuying; Yu, Haiyan; Gou, Shaohua; Fang, Lei","Temperature-induced one-dimensional chiral Ag(i) linear chains and left-handed 21helices: DFT studies, luminescence and SHG response","CrystEngComm","2014","16","43","10056","","10.1039/C4CE01601G","","","0.71073","MoKα","","0.0864","0.0748","","","0.1597","0.1666","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218091","10.9131","0.0016","13.0435","0.0019","22.908","0.004","90","","90","","90","","3260.8","0.9","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 Ag Cl N4 O9 -","- C32 H38 Ag Cl N4 O9 -","- C128 H152 Ag4 Cl4 N16 O36 -","4","1","","Cheng, Lin; Wang, Jun; Qi, Qi; Zhang, Xiuying; Yu, Haiyan; Gou, Shaohua; Fang, Lei","Temperature-induced one-dimensional chiral Ag(i) linear chains and left-handed 21helices: DFT studies, luminescence and SHG response","CrystEngComm","2014","16","43","10056","","10.1039/C4CE01601G","","","0.71073","MoKα","","0.0984","0.0748","","","0.156","0.1693","","","","","","1.025","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218092","13.6251","0.0014","14.7386","0.0015","16.4916","0.0017","90","","95.699","0.002","90","","3295.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H52 Cu2 Mo8 N12 O32 -","- C48 H46 Cu2 Mo8 N12 O32 -","- C96 H92 Cu4 Mo16 N24 O64 -","2","0.5","","Tripuramallu, Bharat Kumar; Manna, Paulami; Das, Samar K.","Supramolecular interactions mediated conformational modulation of flexible linker leading to the isolation of a metallo-macrocycle in a polyoxometalate matrix: Hirshfeld surfaces and 2D fingerprint plots","CrystEngComm","2014","16","44","10300","","10.1039/C4CE01714E","","","0.71073","MoKα","","0.0914","0.0663","","","0.1372","0.1472","","","","","","1.099","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218093","21.8268","0.0005","3.9863","0.0001","7.1628","0.0002","90","","90","","90","","623.22","0.03","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C2 H Ag N2 O Pb S -","- C2 H Ag N2 O Pb S -","- C8 H4 Ag4 N8 O4 Pb4 S4 -","4","0.5","","Diana, Eliano; Gervasio, Giuliana; Priola, Emanuele; Bonometti, Elisabetta","A new heterometallic multiligand 3D coordination polymer: synthesis and structure of [Pb(OH)]n[Ag(SCN)(CN)]n","CrystEngComm","2014","16","43","10040","","10.1039/C4CE01424C","","","0.71073","MoKα","","0.0302","0.0245","","","0.0578","0.0608","","","","","","1.092","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218094","8.23","0.0002","11.8142","0.0003","17.1253","0.0003","90","","90","","90","","1665.11","0.07","233","2","233","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H12 Br2 O2 -","- C20 H12 Br2 O2 -","- C80 H48 Br8 O8 -","4","1","","Agnes, Marco; Sorrenti, Alessandro; Pasini, Dario; Wurst, Klaus; Amabilino, David B.","Crystal structure analyses facilitate understanding of synthesis protocols in the preparation of 6,6′-dibromo-substituted BINOL compounds","CrystEngComm","2014","16","43","10131","","10.1039/C4CE01160K","","","0.71073","MoKα","","0.0342","0.0288","","","0.0676","0.0699","","","","","","1.047","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218095","9.0274","0.0002","20.4427","0.0004","14.5383","0.0003","90","","99.274","0.001","90","","2647.89","0.1","233","2","233","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H28 Br2 O6 -","- C28 H28 Br2 O6 -","- C112 H112 Br8 O24 -","4","2","","Agnes, Marco; Sorrenti, Alessandro; Pasini, Dario; Wurst, Klaus; Amabilino, David B.","Crystal structure analyses facilitate understanding of synthesis protocols in the preparation of 6,6′-dibromo-substituted BINOL compounds","CrystEngComm","2014","16","43","10131","","10.1039/C4CE01160K","","","0.71073","MoKα","","0.056","0.042","","","0.0962","0.1021","","","","","","1.028","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218096","9.9622","0.0003","8.3317","0.0002","19.9628","0.0005","90","","98.208","0.001","90","","1639.98","0.08","233","2","233","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 Br2 O2 -","- C20 H12 Br2 O2 -","- C80 H48 Br8 O8 -","4","1","","Agnes, Marco; Sorrenti, Alessandro; Pasini, Dario; Wurst, Klaus; Amabilino, David B.","Crystal structure analyses facilitate understanding of synthesis protocols in the preparation of 6,6′-dibromo-substituted BINOL compounds","CrystEngComm","2014","16","43","10131","","10.1039/C4CE01160K","","","0.71073","MoKα","","0.0389","0.0304","","","0.0724","0.0758","","","","","","1.042","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218097","9.8523","0.0003","10.1793","0.0003","13.922","0.0003","70.723","0.002","89.926","0.002","82.549","0.002","1305.53","0.06","233","2","233","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 Br2 O6 -","- C28 H28 Br2 O6 -","- C56 H56 Br4 O12 -","2","1","","Agnes, Marco; Sorrenti, Alessandro; Pasini, Dario; Wurst, Klaus; Amabilino, David B.","Crystal structure analyses facilitate understanding of synthesis protocols in the preparation of 6,6′-dibromo-substituted BINOL compounds","CrystEngComm","2014","16","43","10131","","10.1039/C4CE01160K","","","0.71073","MoKα","","0.0499","0.0357","","","0.0804","0.0851","","","","","","1.062","","","","has coordinates,has disorder","180511","2020-10-21","18:00:00",""
"7218098","8.8364","0.0002","10.5814","0.0003","14.7993","0.0003","108.781","0.001","94.787","0.001","97.419","0.001","1287.54","0.05","233","2","233","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 Br2 O6 -","- C28 H24 Br2 O6 -","- C56 H48 Br4 O12 -","2","1","","Agnes, Marco; Sorrenti, Alessandro; Pasini, Dario; Wurst, Klaus; Amabilino, David B.","Crystal structure analyses facilitate understanding of synthesis protocols in the preparation of 6,6′-dibromo-substituted BINOL compounds","CrystEngComm","2014","16","43","10131","","10.1039/C4CE01160K","","","0.71073","MoKα","","0.0514","0.0359","","","0.0815","0.0872","","","","","","1.039","","","","has coordinates,has disorder","180511","2020-10-21","18:00:00",""
"7218117","9.3677","0.0015","11.2409","0.0017","14.585","0.002","72.567","0.002","73.543","0.002","78.799","0.002","1395.2","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 N2 O2 S2 -","- C32 H36 N2 O2 S2 -","- C64 H72 N4 O4 S4 -","2","1","","Ueji, Kan; Ichimura, Shuhei; Tamaki, Yoshinori; Miyamura, Kazuo","Effects of alkyl chain substitution on the crystal structure of benzothiazole-derived squarylium dyes","CrystEngComm","2014","16","43","10139","","10.1039/C4CE01571A","","","0.71073","MoKα","","0.0873","0.0495","","","0.1026","0.1186","","","","","","0.803","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218118","9.366","0.003","14.783","0.005","15.276","0.005","113.609","0.005","100.615","0.006","92.18","0.005","1890.1","1.1","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H56 N2 O2 S2 -","- C42 H56 N2 O2 S2 -","- C84 H112 N4 O4 S4 -","2","1","","Ueji, Kan; Ichimura, Shuhei; Tamaki, Yoshinori; Miyamura, Kazuo","Effects of alkyl chain substitution on the crystal structure of benzothiazole-derived squarylium dyes","CrystEngComm","2014","16","43","10139","","10.1039/C4CE01571A","","","0.71073","MoKα","","0.1171","0.0583","","","0.0987","0.1192","","","","","","0.867","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218119","10.636","0.003","9.486","0.003","15.273","0.004","90","","104.878","0.005","90","","1489.3","0.7","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 N2 O2 S2 -","- C34 H40 N2 O2 S2 -","- C68 H80 N4 O4 S4 -","2","0.5","","Ueji, Kan; Ichimura, Shuhei; Tamaki, Yoshinori; Miyamura, Kazuo","Effects of alkyl chain substitution on the crystal structure of benzothiazole-derived squarylium dyes","CrystEngComm","2014","16","43","10139","","10.1039/C4CE01571A","","","0.71073","MoKα","","0.1477","0.051","","","0.0614","0.0805","","","","","","0.705","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218120","11.1","0.0014","9.2665","0.0011","16.096","0.002","90","","108.132","0.002","90","","1573.4","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 N2 O2 S2 -","- C36 H44 N2 O2 S2 -","- C72 H88 N4 O4 S4 -","2","0.5","","Ueji, Kan; Ichimura, Shuhei; Tamaki, Yoshinori; Miyamura, Kazuo","Effects of alkyl chain substitution on the crystal structure of benzothiazole-derived squarylium dyes","CrystEngComm","2014","16","43","10139","","10.1039/C4CE01571A","","","0.71073","MoKα","","0.0563","0.0404","","","0.0832","0.0892","","","","","","0.956","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218121","9.3276","0.0014","13.142","0.0019","15.226","0.002","108.135","0.003","100.865","0.003","98.281","0.002","1700.4","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H48 N2 O2 S2 -","- C38 H48 N2 O2 S2 -","- C76 H96 N4 O4 S4 -","2","1","","Ueji, Kan; Ichimura, Shuhei; Tamaki, Yoshinori; Miyamura, Kazuo","Effects of alkyl chain substitution on the crystal structure of benzothiazole-derived squarylium dyes","CrystEngComm","2014","16","43","10139","","10.1039/C4CE01571A","","","0.71073","MoKα","","0.1371","0.0515","","","0.0827","0.1129","","","","","","0.69","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218122","9.3051","0.0006","14.0599","0.0009","14.9553","0.0009","80.646","0.001","75.132","0.001","72.905","0.001","1799.5","0.2","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H52 N2 O2 S2 -","- C40 H52 N2 O2 S2 -","- C80 H104 N4 O4 S4 -","2","1","","Ueji, Kan; Ichimura, Shuhei; Tamaki, Yoshinori; Miyamura, Kazuo","Effects of alkyl chain substitution on the crystal structure of benzothiazole-derived squarylium dyes","CrystEngComm","2014","16","43","10139","","10.1039/C4CE01571A","","","0.71073","MoKα","","0.0779","0.0534","","","0.1254","0.1424","","","","","","0.982","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218123","7.8143","0.0005","9.4382","0.0006","15.2024","0.001","77.742","0.001","76.215","0.001","66.063","0.001","986.79","0.11","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H60 N2 O2 S2 -","- C44 H60 N2 O2 S2 -","- C44 H60 N2 O2 S2 -","1","0.5","","Ueji, Kan; Ichimura, Shuhei; Tamaki, Yoshinori; Miyamura, Kazuo","Effects of alkyl chain substitution on the crystal structure of benzothiazole-derived squarylium dyes","CrystEngComm","2014","16","43","10139","","10.1039/C4CE01571A","","","0.71073","MoKα","","0.0711","0.0448","","","0.0899","0.1209","","","","","","0.916","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218124","7.7725","0.0007","9.4508","0.0009","16.2932","0.0016","90.218","0.002","97.616","0.002","113.987","0.002","1081.63","0.18","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H68 N2 O2 S2 -","- C48 H68 N2 O2 S2 -","- C48 H68 N2 O2 S2 -","1","0.5","","Ueji, Kan; Ichimura, Shuhei; Tamaki, Yoshinori; Miyamura, Kazuo","Effects of alkyl chain substitution on the crystal structure of benzothiazole-derived squarylium dyes","CrystEngComm","2014","16","43","10139","","10.1039/C4CE01571A","","","0.71073","MoKα","","0.068","0.0476","","","0.1011","0.1255","","","","","","1.021","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218125","7.772","0.002","9.476","0.003","17.514","0.005","89.954","0.005","89.316","0.006","66.055","0.006","1178.8","0.6","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H76 N2 O2 S2 -","- C52 H76 N2 O2 S2 -","- C52 H76 N2 O2 S2 -","1","0.5","","Ueji, Kan; Ichimura, Shuhei; Tamaki, Yoshinori; Miyamura, Kazuo","Effects of alkyl chain substitution on the crystal structure of benzothiazole-derived squarylium dyes","CrystEngComm","2014","16","43","10139","","10.1039/C4CE01571A","","","0.71073","MoKα","","0.2059","0.0801","","","0.1493","0.2262","","","","","","0.861","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218126","7.7947","0.001","9.4518","0.0012","18.843","0.003","90.701","0.002","94.869","0.003","113.934","0.002","1262.6","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H84 N2 O2 S2 -","- C56 H84 N2 O2 S2 -","- C56 H84 N2 O2 S2 -","1","0.5","","Ueji, Kan; Ichimura, Shuhei; Tamaki, Yoshinori; Miyamura, Kazuo","Effects of alkyl chain substitution on the crystal structure of benzothiazole-derived squarylium dyes","CrystEngComm","2014","16","43","10139","","10.1039/C4CE01571A","","","0.71073","MoKα","","0.126","0.0491","","","0.0907","0.1467","","","","","","0.749","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218127","11.4551","0.0001","4.95346","0.00005","18.1676","0.0002","90","","90","","90","","1030.87","0.018","303","","303","","","","","","","","","4","P b c a","-P 2ac 2ab","61","BiGeO2(OH)2(NO3)","bisnuth germanium oxyhydroxy nitrate","","- Bi Ge N O7 -","- Bi Ge H N O7 -","- Bi8 Ge8 H8 N8 O56 -","8","1","","Kobayashi, Kiyoshi; Ikeda, Takuji; Hiyoshi, Norihito; Sakka, Yoshio","Discovery of a new crystalline phase: BiGeO2(OH)2(NO3)","CrystEngComm","2014","16","43","10080","","10.1039/C4CE01355G","powder diffraction","","1.54059","CuKα~1~","","0.00813","","","","","","0.00768","0.01331","1.9828","","","","","","","has coordinates","190823","2020-10-21","18:00:00",""
"7218128","9.4633","0.0004","12.6496","0.0004","10.8834","0.0004","90","","104.267","0.004","90","","1262.64","0.08","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","p-xylylenebis(thioacetic) acid","","- C12 H14 O4 S2 -","- C12 H14 O4 S2 -","- C48 H56 O16 S8 -","4","0.5","","Ostasz, A.; Łyszczek, R.; Mazur, L.; Tarasiuk, B.","Co-crystal formation between 2-amino-4,6-dimethylpyrimidine and new p-xylylene-bis(thioacetic) acid","CrystEngComm","2014","16","44","10262","","10.1039/C4CE01567C","","","0.71073","MoKα","","0.0341","0.032","","","0.0817","0.0841","","","","","","1.153","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218129","17.6366","0.0018","4.8355","0.0005","15.593","0.0017","90","","96.069","0.01","90","","1322.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 N6 O4 S2 -","- C24 H32 N6 O4 S2 -","- C48 H64 N12 O8 S4 -","2","0.5","","Ostasz, A.; Łyszczek, R.; Mazur, L.; Tarasiuk, B.","Co-crystal formation between 2-amino-4,6-dimethylpyrimidine and new p-xylylene-bis(thioacetic) acid","CrystEngComm","2014","16","44","10262","","10.1039/C4CE01567C","","","0.71073","MoKα","","0.0721","0.0579","","","0.1489","0.1565","","","","","","1.041","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218130","20.968","0.003","4.7107","0.0005","14.4013","0.0016","90","","95.307","0.01","90","","1416.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 N6 O6 S2 -","- C24 H36 N6 O6 S2 -","- C48 H72 N12 O12 S4 -","2","0.5","","Ostasz, A.; Łyszczek, R.; Mazur, L.; Tarasiuk, B.","Co-crystal formation between 2-amino-4,6-dimethylpyrimidine and new p-xylylene-bis(thioacetic) acid","CrystEngComm","2014","16","44","10262","","10.1039/C4CE01567C","","","0.71073","MoKα","","0.0989","0.0651","","","0.1371","0.1534","","","","","","1.105","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218131","32.932","0.007","7.9668","0.0016","15.275","0.003","90","","90","","90","","4007.6","1.4","100","2","100","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C18 H23 N3 O4 S2 -","- C18 H23 N3 O4 S2 -","- C144 H184 N24 O32 S16 -","8","","","Ostasz, A.; Łyszczek, R.; Mazur, L.; Tarasiuk, B.","Co-crystal formation between 2-amino-4,6-dimethylpyrimidine and new p-xylylene-bis(thioacetic) acid","CrystEngComm","2014","16","44","10262","","10.1039/C4CE01567C","","","0.71073","MoKα","","0.0576","0.0351","","","0.0758","0.0806","","","","","","0.903","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218133","5.5044","0.0007","10.0817","0.0008","10.2203","0.0013","90","","93.142","0.01","90","","566.31","0.11","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N,N-hydroxydimethylglycine","2-(hydroxydimethylammonio)acetate","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Oxidative stress of H2O2on N,N-dimethylglycine: formation of perhydrate crystals and more","CrystEngComm","2014","16","44","10165","","10.1039/C4CE01835D","","","0.71073","MoKα","","0.0549","0.0376","","","0.0971","0.1025","","","","","","1.032","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218134","10.3838","0.0005","5.7184","0.0003","11.4118","0.0007","90","","90","","90","","677.62","0.06","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","N,N-dimethylglycine","2-(Dimethylamino)acetate perhydrate","","- C4 H11 N O4 -","- C4 H11 N O4 -","- C16 H44 N4 O16 -","4","1","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Oxidative stress of H2O2on N,N-dimethylglycine: formation of perhydrate crystals and more","CrystEngComm","2014","16","44","10165","","10.1039/C4CE01835D","","","0.71073","MoKα","","0.0671","0.0415","","","0.0806","0.0915","","","","","","1.058","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218135","12.332","0.0004","9.9903","0.0003","5.80218","0.00016","90","","90","","90","","714.83","0.04","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","N,N,N-hydroxydimethylglycine","2-(hydroxydimethylammonio)acetate perhydrate","","- C4 H11 N O5 -","- C4 H11 N O5 -","- C16 H44 N4 O20 -","4","1","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Oxidative stress of H2O2on N,N-dimethylglycine: formation of perhydrate crystals and more","CrystEngComm","2014","16","44","10165","","10.1039/C4CE01835D","","","0.71073","MoKα","","0.0343","0.0308","","","0.0777","0.08","","","","","","1.043","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218148","7.7677","0.0011","13.5311","0.0018","7.9843","0.0011","90","","106.432","0.006","90","","804.92","0.19","150.15","","150.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","hexafluoronaphthalene","","- C10 H2 F6 -","- C10 H2 F6 -","- C40 H8 F24 -","4","1","","Loader, Jason R.; Libri, Stefano; Meijer, Anthony J. H. M.; Perutz, Robin N.; Brammer, Lee","Highly fluorinated naphthalenes and bifurcated C–H⋯F–C hydrogen bonding","CrystEngComm","2014","16","41","9711","","10.1039/C4CE01322K","","","0.71073","MoKα","","0.0686","0.0403","","","0.107","0.1294","","","","","","1.042","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218149","8.5748","0.0017","3.6622","0.0007","12.423","0.003","90","","93.08","0.03","90","","389.55","0.14","100.15","","100.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","pentafluoronaphthalene","","- C10 H3 F5 -","- C10 H3 F5 -","- C20 H6 F10 -","2","0.5","","Loader, Jason R.; Libri, Stefano; Meijer, Anthony J. H. M.; Perutz, Robin N.; Brammer, Lee","Highly fluorinated naphthalenes and bifurcated C‒H⋯F‒C hydrogen bonding","CrystEngComm","2014","16","41","9711","","10.1039/C4CE01322K","","","0.71073","MoKα","","0.0967","0.082","","","0.2151","0.2234","","","","","","1.102","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218156","11.4883","0.0006","9.6632","0.0005","16.1106","0.0008","90","","101.252","0.002","90","","1754.12","0.16","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 Cl2 N6 O10 S2 -","- C34 H30 Cl2 N6 O10 S2 -","- C68 H60 Cl4 N12 O20 S4 -","2","0.5","","Srirambhatla, Vijay K.; Kraft, Arno; Watt, Stephen; Powell, Anthony V.","A robust two-dimensional hydrogen-bonded network for the predictable assembly of ternary co-crystals of furosemide","CrystEngComm","2014","16","43","9979","","10.1039/C4CE01692K","","","0.71073","MoKα","","0.0818","0.0427","","0.1082","0.0465","0.0465","","","","","","1.0761","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218157","9.7483","0.0004","10.4805","0.0004","14.1432","0.0005","96.253","0.002","93.883","0.002","114.448","0.002","1297.39","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H25 Cl N4 O6 S2 -","- C24 H25 Cl N4 O6 S2 -","- C48 H50 Cl2 N8 O12 S4 -","2","1","","Srirambhatla, Vijay K.; Kraft, Arno; Watt, Stephen; Powell, Anthony V.","A robust two-dimensional hydrogen-bonded network for the predictable assembly of ternary co-crystals of furosemide","CrystEngComm","2014","16","43","9979","","10.1039/C4CE01692K","","","0.71073","MoKα","","0.0651","0.0446","","0.0753","0.0452","0.0452","","","","","","1.1186","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218158","7.3552","0.0009","9.3457","0.0011","18.124","0.002","80.525","0.006","82.376","0.006","75.758","0.006","1185.5","0.2","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H23 Cl N4 O6 S -","- C23 H23 Cl N4 O6 S -","- C46 H46 Cl2 N8 O12 S2 -","2","1","","Srirambhatla, Vijay K.; Kraft, Arno; Watt, Stephen; Powell, Anthony V.","A robust two-dimensional hydrogen-bonded network for the predictable assembly of ternary co-crystals of furosemide","CrystEngComm","2014","16","43","9979","","10.1039/C4CE01692K","","","0.71073","MoKα","","0.0604","0.0417","","0.0601","0.0447","0.0447","","","","","","1.0771","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218159","6.751","0.0005","9.5719","0.0006","18.6178","0.0013","84.977","0.004","89.783","0.004","73.488","0.004","1148.76","0.14","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H22 Cl N4 O6 S -","- C23 H22 Cl N4 O6 S -","- C46 H44 Cl2 N8 O12 S2 -","2","1","","Srirambhatla, Vijay K.; Kraft, Arno; Watt, Stephen; Powell, Anthony V.","A robust two-dimensional hydrogen-bonded network for the predictable assembly of ternary co-crystals of furosemide","CrystEngComm","2014","16","43","9979","","10.1039/C4CE01692K","","","0.71073","MoKα","","0.0882","0.0673","","0.0913","0.064","0.064","","","","","","0.9645","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218160","7.3972","0.0007","9.3373","0.0008","18.1141","0.0016","80.504","0.004","82.039","0.004","75.173","0.004","1186.81","0.19","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 Cl N4 O6 S -","- C24 H24 Cl N4 O6 S -","- C48 H48 Cl2 N8 O12 S2 -","2","1","","Srirambhatla, Vijay K.; Kraft, Arno; Watt, Stephen; Powell, Anthony V.","A robust two-dimensional hydrogen-bonded network for the predictable assembly of ternary co-crystals of furosemide","CrystEngComm","2014","16","43","9979","","10.1039/C4CE01692K","","","0.71073","MoKα","","0.06","0.0454","","0.0684","0.0482","0.0423","","","","","","1.0302","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218161","6.9302","0.0004","9.9356","0.0006","18.6298","0.0011","83.633","0.003","89.624","0.003","72.794","0.003","1217.34","0.13","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 Cl N4 O6 S -","- C25 H22 Cl N4 O6 S -","- C50 H44 Cl2 N8 O12 S2 -","2","1","","Srirambhatla, Vijay K.; Kraft, Arno; Watt, Stephen; Powell, Anthony V.","A robust two-dimensional hydrogen-bonded network for the predictable assembly of ternary co-crystals of furosemide","CrystEngComm","2014","16","43","9979","","10.1039/C4CE01692K","","","0.71073","MoKα","","0.0543","0.0436","","0.0477","0.0366","0.0366","","","","","","1.0981","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218162","6.3978","0.0004","21.3089","0.0014","13.6408","0.001","90","","98.903","0.002","90","","1837.2","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H33 Cd N5 O10 S -","- C36 H31 Cd N5 O10 S -","- C72 H62 Cd2 N10 O20 S2 -","2","1","","Guo, Huadong; Yan, Yongnian; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Liu, Chunming","Syntheses, characterization and luminescence properties of five entangled coordination polymers based on bis(4-imidazolphenoxy)methane and various dicarboxylic acids","CrystEngComm","2014","16","44","10245","","10.1039/C4CE01390E","","","0.71073","MoKα","","0.0579","0.0436","","","0.1035","0.119","","","","","","1.033","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218163","12.9722","0.0007","17.3507","0.001","14.0501","0.0008","90","","110.423","0.001","90","","2963.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H54 Cd2 N10 O14 -","- C60 H54 Cd2 N10 O14 -","- C120 H108 Cd4 N20 O28 -","2","0.5","","Guo, Huadong; Yan, Yongnian; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Liu, Chunming","Syntheses, characterization and luminescence properties of five entangled coordination polymers based on bis(4-imidazolphenoxy)methane and various dicarboxylic acids","CrystEngComm","2014","16","44","10245","","10.1039/C4CE01390E","","","0.71073","MoKα","","0.0476","0.0329","","","0.09","0.1086","","","","","","1.065","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218164","10.1545","0.0006","11.6885","0.0007","12.5788","0.0007","83.2","0.001","88.499","0.001","69.273","0.001","1386.34","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H48 Cd2 N8 O14 -","- C62 H44 Cd2 N8 O14 -","- C62 H44 Cd2 N8 O14 -","1","0.5","","Guo, Huadong; Yan, Yongnian; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Liu, Chunming","Syntheses, characterization and luminescence properties of five entangled coordination polymers based on bis(4-imidazolphenoxy)methane and various dicarboxylic acids","CrystEngComm","2014","16","44","10245","","10.1039/C4CE01390E","","","0.71073","MoKα","","0.0412","0.0346","","","0.0957","0.1078","","","","","","1.112","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218165","14.6526","0.0012","10.0981","0.0009","16.1913","0.0013","90","","90","","90","","2395.7","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H20 Cd N4 O6 -","- C27 H20 Cd N4 O6 -","- C108 H80 Cd4 N16 O24 -","4","1","","Guo, Huadong; Yan, Yongnian; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Liu, Chunming","Syntheses, characterization and luminescence properties of five entangled coordination polymers based on bis(4-imidazolphenoxy)methane and various dicarboxylic acids","CrystEngComm","2014","16","44","10245","","10.1039/C4CE01390E","","","0.71073","MoKα","","0.0611","0.0365","","","0.0618","0.0691","","","","","","1.01","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218166","11.6078","0.0014","12.295","0.0014","20.705","0.002","90","","101.496","0.002","90","","2895.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H48 Cd2 N8 O12 -","- C66 H48 Cd2 N8 O12 -","- C132 H96 Cd4 N16 O24 -","2","0.5","","Guo, Huadong; Yan, Yongnian; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Liu, Chunming","Syntheses, characterization and luminescence properties of five entangled coordination polymers based on bis(4-imidazolphenoxy)methane and various dicarboxylic acids","CrystEngComm","2014","16","44","10245","","10.1039/C4CE01390E","","","0.71073","MoKα","","0.0631","0.0367","","","0.0896","0.1147","","","","","","1.104","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218167","12.0856","0.0013","13.6274","0.0015","11.4059","0.0013","90","","91.489","0.002","90","","1877.9","0.4","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 N4 O6 P2 Pt -","- C40 H38 N4 O6 P2 Pt -","- C80 H76 N8 O12 P4 Pt2 -","2","0.5","","Zubatyuk, Roman I.; Sinelshchikova, Anna A.; Enakieva, Yulia Y.; Gorbunova, Yulia G.; Tsivadze, Aslan Y.; Nefedov, Sergey E.; Bessmertnykh-Lemeune, Alla; Guilard, Roger; Shishkin, Oleg V.","Insights into the crystal packing of phosphorylporphyrins based on the topology of their intermolecular interaction energies","CrystEngComm","2014","16","45","10428","","10.1039/C4CE01623H","","","0.71073","MoKα","","0.0366","0.0225","","","0.0576","0.0645","","","","","","1.026","","","","has coordinates,has disorder","180512","2020-10-21","18:00:00",""
"7218168","13.151","0.005","13.187","0.005","13.28","0.005","91.426","0.006","110.824","0.005","107.172","0.005","2034.8","1.3","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C86 H90 N8 Ni2 O12 P4 -","- C86 H90 N8 Ni2 O12 P4 -","- C86 H90 N8 Ni2 O12 P4 -","1","0.5","","Zubatyuk, Roman I.; Sinelshchikova, Anna A.; Enakieva, Yulia Y.; Gorbunova, Yulia G.; Tsivadze, Aslan Y.; Nefedov, Sergey E.; Bessmertnykh-Lemeune, Alla; Guilard, Roger; Shishkin, Oleg V.","Insights into the crystal packing of phosphorylporphyrins based on the topology of their intermolecular interaction energies","CrystEngComm","2014","16","45","10428","","10.1039/C4CE01623H","","","0.71073","MoKα","","0.1268","0.0806","","","0.227","0.246","","","","","","1.075","","","","has coordinates,has disorder","180512","2020-10-21","18:00:00",""
"7218169","16.128","0.004","18.158","0.005","13.503","0.003","90","","113.57","0.003","90","","3624.5","1.6","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H38 N4 O6 P2 Pd -","- C40 H38 N4 O6 P2 Pd -","- C160 H152 N16 O24 P8 Pd4 -","4","0.5","","Zubatyuk, Roman I.; Sinelshchikova, Anna A.; Enakieva, Yulia Y.; Gorbunova, Yulia G.; Tsivadze, Aslan Y.; Nefedov, Sergey E.; Bessmertnykh-Lemeune, Alla; Guilard, Roger; Shishkin, Oleg V.","Insights into the crystal packing of phosphorylporphyrins based on the topology of their intermolecular interaction energies","CrystEngComm","2014","16","45","10428","","10.1039/C4CE01623H","","","0.71073","MoKα","","0.0932","0.0442","","","0.0793","0.094","","","","","","0.979","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218170","12.4567","0.0016","11.7829","0.0015","12.1147","0.0016","90","","91.889","0.002","90","","1777.2","0.4","153","2","153.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Cd N4 O6 P2 -","- C40 H38 Cd N4 O6 P2 -","- C80 H76 Cd2 N8 O12 P4 -","2","0.5","","Zubatyuk, Roman I.; Sinelshchikova, Anna A.; Enakieva, Yulia Y.; Gorbunova, Yulia G.; Tsivadze, Aslan Y.; Nefedov, Sergey E.; Bessmertnykh-Lemeune, Alla; Guilard, Roger; Shishkin, Oleg V.","Insights into the crystal packing of phosphorylporphyrins based on the topology of their intermolecular interaction energies","CrystEngComm","2014","16","45","10428","","10.1039/C4CE01623H","","","0.71073","MoKα","","0.0461","0.0333","","","0.0768","0.0827","","","","","","0.967","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218177","10.4858","0.0003","18.8309","0.0006","4.813","0.0002","90","","90","","90","","950.36","0.06","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H6 N4 O2 Zn -","- C9 H6 N4 O2 Zn -","- C36 H24 N16 O8 Zn4 -","4","1","","Calahorro, Antonio J.; Macchi, Piero; Salinas-Castillo, Alfonso; Sebastián, Eider San; Seco, José M.; Rodríguez-Diéguez, Antonio","Photoluminescence of the first examples of metal‒organic frameworks with two novel tetrazolatephenyl acetic acid derivatives: an experimental and theoretical study","CrystEngComm","2014","16","45","10492","","10.1039/C4CE00662C","","","0.71069","MoKα","","0.0386","0.0319","","","0.0731","0.0784","","","","","","1.08","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218178","18.5081","0.0005","4.823","0.0001","10.9635","0.0004","90","","90","","90","","978.65","0.05","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C9 H6 N4 O2 Zn -","- C9 H6 N4 O2 Zn -","- C36 H24 N16 O8 Zn4 -","4","1","","Calahorro, Antonio J.; Macchi, Piero; Salinas-Castillo, Alfonso; Sebastián, Eider San; Seco, José M.; Rodríguez-Diéguez, Antonio","Photoluminescence of the first examples of metal‒organic frameworks with two novel tetrazolatephenyl acetic acid derivatives: an experimental and theoretical study","CrystEngComm","2014","16","45","10492","","10.1039/C4CE00662C","","","0.71069","MoKα","","0.0536","0.0347","","","0.058","0.0677","","","","","","1.049","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218179","8.093","0.005","9.502","0.005","12.751","0.005","82.472","0.005","82.927","0.005","86.586","0.005","963.8","0.9","295","","295","","","","","","","","","7","P -1","-P 1","2","","Tetrafluoro-1,4-diiodobenzene bis(N-(4-acetophenyl)-2-oxy-1-naphthaldiminato)-copper(ii)","","- C44 H28 Cu F4 I2 N2 O4 -","- C44 H28 Cu F4 I2 N2 O4 -","- C44 H28 Cu F4 I2 N2 O4 -","1","0.5","","Cinčić, Dominik; Friščić, Tomislav","Synthesis of an extended halogen-bonded metal–organic structure in a one-pot mechanochemical reaction that combines covalent bonding, coordination chemistry and supramolecular synthesis","CrystEngComm","2014","16","44","10169","","10.1039/C4CE01815J","","","0.71073","MoKα","","0.058","0.0363","","","0.0879","0.0938","","","","","","0.985","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218183","12.0014","0.0007","7.104","0.0004","3.538","0.0002","90","","90","","90","","301.64","0.03","180","2","180","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C4 H4 Cl2 Co N2 -","- C4 H4 Cl2 Co N2 -","- C8 H8 Cl4 Co2 N4 -","2","0.125","","de Campos, Elvio Antonio; Silva, Nuno J. O.; Shi, Fa-Nian; Rocha, João","Cobalt(ii)‒pyrazine‒chloride coordination polymers: synthesis, reactivity and magnetic properties","CrystEngComm","2014","16","45","10439","","10.1039/C4CE01413H","","","0.71073","MoKα","","0.0309","0.0261","","","0.0634","0.0654","","","","","","1.14","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218184","7.1489","0.0006","7.1489","0.0006","10.6653","0.0017","90","","90","","90","","545.07","0.11","296","2","296","2","","","","","","","","5","I -4","I -4","82","","","","- C8 H8 Cl2 Co N4 -","- C8 H8 Cl2 Co N4 -","- C16 H16 Cl4 Co2 N8 -","2","0.25","","de Campos, Elvio Antonio; Silva, Nuno J. O.; Shi, Fa-Nian; Rocha, João","Cobalt(ii)‒pyrazine‒chloride coordination polymers: synthesis, reactivity and magnetic properties","CrystEngComm","2014","16","45","10439","","10.1039/C4CE01413H","","","0.71073","MoKα","","0.0509","0.0358","","","0.0763","0.0832","","","","","","1.068","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218185","7.1449","0.0011","7.1449","0.0011","10.633","0.002","90","","90","","90","","542.81","0.16","180","2","180","2","","","","","","","","5","I -4","I -4","82","","","","- C8 H8 Cl2 Co N4 -","- C8 H8 Cl2 Co N4 -","- C16 H16 Cl4 Co2 N8 -","2","0.25","","de Campos, Elvio Antonio; Silva, Nuno J. O.; Shi, Fa-Nian; Rocha, João","Cobalt(ii)‒pyrazine‒chloride coordination polymers: synthesis, reactivity and magnetic properties","CrystEngComm","2014","16","45","10439","","10.1039/C4CE01413H","","","0.71073","MoKα","","0.0879","0.042","","","0.0696","0.0834","","","","","","0.993","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218186","10.4759","0.0011","33.017","0.003","28.548","0.003","90","","97.288","0.001","90","","9794.5","1.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C83 H77 Cd2 N11 O15 -","- C83 H77 Cd2 N11 O15 -","- C332 H308 Cd8 N44 O60 -","4","1","","Cao, Tingting; Peng, Yanqiang; Liu, Ting; Wang, Suna; Dou, Jianmin; Li, Yunwu; Zhou, Changhui; Li, Dacheng; Bai, Junfeng","Assembly of a series of d10coordination polymers of pamoic acid through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties","CrystEngComm","2014","16","46","10658","","10.1039/C4CE01356E","","","0.71073","MoKα","","0.1055","0.0617","","","0.1513","0.1602","","","","","","1.01","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7218187","11.853","0.006","12.385","0.006","21.013","0.01","90","","99.597","0.007","90","","3042","3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 N2 O6 Zn -","- C36 H28 N2 O6 Zn -","- C144 H112 N8 O24 Zn4 -","4","1","","Cao, Tingting; Peng, Yanqiang; Liu, Ting; Wang, Suna; Dou, Jianmin; Li, Yunwu; Zhou, Changhui; Li, Dacheng; Bai, Junfeng","Assembly of a series of d10coordination polymers of pamoic acid through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties","CrystEngComm","2014","16","46","10658","","10.1039/C4CE01356E","","","0.71073","MoKα","","0.1152","0.0462","","","0.0662","0.0751","","","","","","1.063","","","","has coordinates,has disorder","180512","2020-10-21","18:00:00",""
"7218188","23.362","0.002","18.6642","0.0016","14.8125","0.0013","90","","90","","90","","6458.7","1","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C72 H70 Cd N4 O18 -","- C72 H70 Cd N4 O18 -","- C288 H280 Cd4 N16 O72 -","4","0.5","","Cao, Tingting; Peng, Yanqiang; Liu, Ting; Wang, Suna; Dou, Jianmin; Li, Yunwu; Zhou, Changhui; Li, Dacheng; Bai, Junfeng","Assembly of a series of d10coordination polymers of pamoic acid through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties","CrystEngComm","2014","16","46","10658","","10.1039/C4CE01356E","","","0.71073","MoKα","","0.1613","0.0659","","","0.1488","0.1852","","","","","","0.847","","","","has coordinates,has disorder","301864","2025-08-22","15:14:37",""
"7218189","13.1085","0.0012","16.6562","0.0016","13.6422","0.0014","90","","92.185","0.001","90","","2976.4","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 N4 O6 Zn -","- C33 H28 N4 O6 Zn -","- C132 H112 N16 O24 Zn4 -","4","1","","Cao, Tingting; Peng, Yanqiang; Liu, Ting; Wang, Suna; Dou, Jianmin; Li, Yunwu; Zhou, Changhui; Li, Dacheng; Bai, Junfeng","Assembly of a series of d10coordination polymers of pamoic acid through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties","CrystEngComm","2014","16","46","10658","","10.1039/C4CE01356E","","","0.71073","MoKα","","0.1013","0.0686","","","0.1958","0.2213","","","","","","1.023","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218190","11.0849","0.0013","11.6224","0.0014","13.0516","0.0015","71.141","0.001","86.977","0.002","69.796","0.001","1490","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 Cd N4 O7 -","- C33 H30 Cd N4 O7 -","- C66 H60 Cd2 N8 O14 -","2","1","","Cao, Tingting; Peng, Yanqiang; Liu, Ting; Wang, Suna; Dou, Jianmin; Li, Yunwu; Zhou, Changhui; Li, Dacheng; Bai, Junfeng","Assembly of a series of d10coordination polymers of pamoic acid through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties","CrystEngComm","2014","16","46","10658","","10.1039/C4CE01356E","","","0.71073","MoKα","","0.1181","0.0556","","","0.0863","0.1031","","","","","","0.838","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218191","9.3381","0.0005","25.7913","0.0012","15.3127","0.0006","90","","95.891","0.004","90","","3668.5","0.3","121.3","0.1","121.3","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H70 Cd3 Cl2 N12 O12 -","- C76 H70 Cd3 Cl2 N12 O12 -","- C152 H140 Cd6 Cl4 N24 O24 -","2","0.5","","Cao, Tingting; Peng, Yanqiang; Liu, Ting; Wang, Suna; Dou, Jianmin; Li, Yunwu; Zhou, Changhui; Li, Dacheng; Bai, Junfeng","Assembly of a series of d10coordination polymers of pamoic acid through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties","CrystEngComm","2014","16","46","10658","","10.1039/C4CE01356E","","","0.71073","MoKα","","0.0786","0.0597","","","0.1247","0.1343","","","","","","1.132","","","","has coordinates,has disorder","180512","2020-10-21","18:00:00",""
"7218192","40.431","0.003","18.1158","0.001","35.3525","0.0018","90","","123.886","0.008","90","","21496","3","104.3","0.8","104.3","0.8","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C123 H92 N20 O32 Zn6 -","- C123 H92 N20 O32 Zn6 -","- C492 H368 N80 O128 Zn24 -","4","0.5","","Cao, Tingting; Peng, Yanqiang; Liu, Ting; Wang, Suna; Dou, Jianmin; Li, Yunwu; Zhou, Changhui; Li, Dacheng; Bai, Junfeng","Assembly of a series of d10coordination polymers of pamoic acid through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties","CrystEngComm","2014","16","46","10658","","10.1039/C4CE01356E","","","1.54184","CuKα","","0.1303","0.0792","","","0.2136","0.2369","","","","","","1.015","","","","has coordinates,has disorder","180512","2020-10-21","18:00:00",""
"7218193","36.873","0.003","9.3152","0.0009","10.9288","0.0011","90","","93.643","0.001","90","","3746.2","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H36 Cd2 N12 O8 -","- C33 H36 Cd2 N12 O8 -","- C132 H144 Cd8 N48 O32 -","4","0.5","","Cao, Tingting; Peng, Yanqiang; Liu, Ting; Wang, Suna; Dou, Jianmin; Li, Yunwu; Zhou, Changhui; Li, Dacheng; Bai, Junfeng","Assembly of a series of d10coordination polymers of pamoic acid through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties","CrystEngComm","2014","16","46","10658","","10.1039/C4CE01356E","","","0.71073","MoKα","","0.125","0.1045","","","0.2754","0.2856","","","","","","1.115","","","","has coordinates,has disorder","180512","2020-10-21","18:00:00",""
"7218194","7.9572","0.0006","15.2139","0.0011","24.9697","0.0017","90","","90.666","0.005","90","","3022.6","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 N3 O9 Zn2 -","- C30 H29 N3 O9 Zn2 -","- C120 H116 N12 O36 Zn8 -","4","1","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.062","0.0528","","","0.1428","0.1487","","","","","","1.097","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218195","7.9713","0.001","15.4036","0.0016","25.046","0.003","90","","90.562","0.01","90","","3075.2","0.6","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 N3 O9 Zn2 -","- C31 H31 N3 O9 Zn2 -","- C124 H124 N12 O36 Zn8 -","4","1","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.0782","0.0574","","","0.1438","0.155","","","","","","1.073","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218196","8.1511","0.0006","16.0769","0.0012","24.7374","0.0018","90","","90.796","0.003","90","","3241.4","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 N3 O9 Zn2 -","- C32 H33 N3 O9 Zn2 -","- C128 H132 N12 O36 Zn8 -","4","1","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.0348","0.0331","","","0.0981","0.1007","","","","","","1.062","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218197","19.347","0.0019","11.084","0.0013","10.8074","0.001","90","","92.93","0.007","90","","2314.5","0.4","123","2","123","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C28 H29 N3 O -","- C28 H29 N3 O -","- C112 H116 N12 O4 -","4","1","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.0417","0.0349","","","0.0855","0.0893","","","","","","1.035","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218198","15.1693","0.0008","17.4457","0.001","17.6212","0.0016","104.114","0.004","112.607","0.004","109.132","0.003","3683.4","0.5","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C144 H164 N12 O39 Zn8 -","- C144 H164 N12 O39 Zn8 -","- C144 H164 N12 O39 Zn8 -","1","0.5","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.0772","0.0594","","","0.1704","0.1876","","","","","","1.035","","","","has coordinates,has disorder","180512","2020-10-21","18:00:00",""
"7218199","10.7384","0.0005","11.181","0.0006","13.7983","0.0007","91.221","0.003","103.627","0.003","94.827","0.003","1602.91","0.14","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H82 N6 O10 Zn2 -","- C70 H82 N6 O10 Zn2 -","- C70 H82 N6 O10 Zn2 -","1","0.5","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.0567","0.0444","","","0.1151","0.1241","","","","","","1.023","","","","has coordinates,has disorder","301864","2025-08-22","15:14:37",""
"7218200","14.2398","0.0007","14.7602","0.0007","15.7924","0.0008","89.058","0.002","66.11","0.002","87.738","0.002","3032.5","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H74 N6 O10 Zn2 -","- C66 H74 N6 O10 Zn2 -","- C132 H148 N12 O20 Zn4 -","2","1","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.0515","0.0443","","","0.1122","0.1179","","","","","","1.049","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218201","10.8959","0.0006","11.2529","0.0007","12.1372","0.0007","109.804","0.002","102.546","0.002","91.431","0.002","1358.81","0.14","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H62 N6 O10 Zn2 -","- C60 H62 N6 O10 Zn2 -","- C60 H62 N6 O10 Zn2 -","1","0.5","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.0344","0.0324","","","0.0845","0.0863","","","","","","1.051","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218202","15.1794","0.0006","17.1547","0.0007","17.2922","0.0007","115.89","0.002","100.999","0.002","108.227","0.002","3554.1","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H78 N6 O20 Zn4 -","- C68 H74 N6 O20 Zn4 -","- C136 H148 N12 O40 Zn8 -","2","1","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.0685","0.0516","","","0.1364","0.149","","","","","","1.043","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218203","10.9315","0.0007","11.2063","0.0008","13.3817","0.0009","96.615","0.003","102.46","0.003","99.944","0.003","1556.69","0.18","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H78 N6 O10 Zn2 -","- C68 H78 N6 O10 Zn2 -","- C68 H78 N6 O10 Zn2 -","1","0.5","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.039","0.0348","","","0.0877","0.0911","","","","","","1.031","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218204","10.0691","0.0008","10.7273","0.0009","11.9802","0.0009","93.2","0.003","106.786","0.003","117.792","0.003","1067.91","0.15","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H27 N3 O -","- C27 H27 N3 O -","- C54 H54 N6 O2 -","2","1","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.0357","0.0334","","","0.0916","0.0937","","","","","","1.044","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218205","8.0908","0.0009","29.735","0.003","16.6368","0.0018","90","","99.076","0.009","90","","3952.4","0.7","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H43 N3 O11 Zn2 -","- C37 H43 N3 O11 Zn2 -","- C148 H172 N12 O44 Zn8 -","4","1","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.1554","0.1061","","","0.2826","0.3108","","","","","","1.136","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218206","24.7836","0.0017","6.7289","0.0003","20.9423","0.0013","90","","114.264","0.008","90","","3184","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 B F2 N3 -","- C18 H18 B F2 N3 -","- C144 H144 B8 F16 N24 -","8","2","","Luo, Geng-Geng; Fang, Kai; Wu, Ji-Huai; Dai, Jing-Cao; Zhao, Qing-Hua","Noble-metal-free BODIPY-cobaloxime photocatalysts for visible-light-driven hydrogen production.","Physical chemistry chemical physics : PCCP","2014","16","43","23884","23894","10.1039/c4cp03343d","","","0.71073","MoKα","","0.0612","0.0517","","","0.1432","0.1523","","","","","","1.012","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218207","16.771","0.003","15.274","0.003","7.6839","0.0015","90","","90","","90","","1968.3","0.6","173","2","173","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C18 H12 B F2 I2 N3 -","- C18 H12 B F2 I2 N3 -","- C72 H48 B4 F8 I8 N12 -","4","0.25","","Luo, Geng-Geng; Fang, Kai; Wu, Ji-Huai; Dai, Jing-Cao; Zhao, Qing-Hua","Noble-metal-free BODIPY-cobaloxime photocatalysts for visible-light-driven hydrogen production.","Physical chemistry chemical physics : PCCP","2014","16","43","23884","23894","10.1039/c4cp03343d","","","0.71073","MoKα","","0.0612","0.0522","","","0.1526","0.1896","","","","","","1.086","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218208","7.1055","0.0003","12.1329","0.0006","19.1171","0.0007","90","","96.167","0.001","90","","1638.55","0.12","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 B F2 N3 -","- C18 H18 B F2 N3 -","- C72 H72 B4 F8 N12 -","4","2","","Luo, Geng-Geng; Fang, Kai; Wu, Ji-Huai; Dai, Jing-Cao; Zhao, Qing-Hua","Noble-metal-free BODIPY-cobaloxime photocatalysts for visible-light-driven hydrogen production.","Physical chemistry chemical physics : PCCP","2014","16","43","23884","23894","10.1039/c4cp03343d","","","0.71073","MoKα","","0.1067","0.0608","","","0.1536","0.2339","","","","","","1.165","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7218209","14.3736","0.0011","14.8242","0.0011","14.1707","0.0012","90","","97.653","0.002","90","","2992.6","0.4","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 B Cl Co F2 N7 O4 -","- C26 H32 B Cl Co F2 N7 O4 -","- C104 H128 B4 Cl4 Co4 F8 N28 O16 -","4","1","","Luo, Geng-Geng; Fang, Kai; Wu, Ji-Huai; Dai, Jing-Cao; Zhao, Qing-Hua","Noble-metal-free BODIPY-cobaloxime photocatalysts for visible-light-driven hydrogen production.","Physical chemistry chemical physics : PCCP","2014","16","43","23884","23894","10.1039/c4cp03343d","","","0.71073","MoKα","","0.121","0.0713","","","0.1824","0.257","","","","","","1.116","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218210","8.658","0.0003","13.6093","0.0005","30.699","0.0013","90","","92.969","0.001","90","","3612.4","0.2","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 B Cl Co F2 I2 N7 O4 -","- C28 H30 B Cl Co F2 I2 N8 O4 -","- C112 H120 B4 Cl4 Co4 F8 I8 N32 O16 -","4","1","","Luo, Geng-Geng; Fang, Kai; Wu, Ji-Huai; Dai, Jing-Cao; Zhao, Qing-Hua","Noble-metal-free BODIPY-cobaloxime photocatalysts for visible-light-driven hydrogen production.","Physical chemistry chemical physics : PCCP","2014","16","43","23884","23894","10.1039/c4cp03343d","","","0.71073","MoKα","","0.0864","0.0612","","","0.1669","0.1995","","","","","","1.049","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218211","32.1886","0.001","13.8873","0.0005","8.432","0.0003","90","","104.759","0.003","90","","3644.8","0.2","173","2","173","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C26 H32 B Cl Co F2 N7 O4 -","- C26 H32 B Cl Co F2 N7 O4 -","- C104 H128 B4 Cl4 Co4 F8 N28 O16 -","4","0.5","","Luo, Geng-Geng; Fang, Kai; Wu, Ji-Huai; Dai, Jing-Cao; Zhao, Qing-Hua","Noble-metal-free BODIPY-cobaloxime photocatalysts for visible-light-driven hydrogen production.","Physical chemistry chemical physics : PCCP","2014","16","43","23884","23894","10.1039/c4cp03343d","","","0.71073","MoKα","","0.0588","0.0519","","","0.1618","0.1685","","","","","","1.069","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218212","22.95","0.004","34.573","0.005","17.549","0.005","90","","104.677","0.002","90","","13470","5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","C-methylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C78 H71 N9 O17 -","- C78 H69 N9 O17 -","- C624 H552 N72 O136 -","8","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.71073","MoKα","","0.1572","0.0619","","","0.1255","0.162","","","","","","0.99","","","","has coordinates,has disorder","180513","2020-10-21","18:00:00",""
"7218213","17.524","0.0004","17.9622","0.0004","18.5524","0.0004","99.369","0.001","100.579","0.001","110.01","0.001","5230.6","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-methylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C117 H121 N9 O31 -","- C117 H121 N9 O31 -","- C234 H242 N18 O62 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","1.54178","CuKα","","0.0684","0.0556","","","0.1728","0.1896","","","","","","1.066","","","","has coordinates,has disorder","301864","2025-08-22","15:14:37",""
"7218214","29.9239","0.0011","19.772","0.0007","23.7677","0.0009","90","","116.033","0.002","90","","12635.5","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","C-methylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C71 H78 N6 O17 -","- C71 H78 N6 O17 -","- C568 H624 N48 O136 -","8","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.7749","synchrotron","","0.0774","0.057","","","0.1556","0.1679","","","","","","1.047","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218215","7.3273","0.0008","16.7326","0.0019","23.611","0.003","85.742","0.002","83.946","0.002","86.963","0.002","2867.8","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-ethyl-pyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C66 H60 N8 O14 -","- C66 H60 N8 O14 -","- C132 H120 N16 O28 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.71073","MoKα","","0.1029","0.0456","","","0.0982","0.1225","","","","","","0.984","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218216","12.6468","0.0016","15.636","0.002","16.887","0.002","64.978","0.002","81.891","0.002","68.093","0.002","2806.9","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-ethylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C67 H66 N6 O15 -","- C67 H66 N6 O15 -","- C134 H132 N12 O30 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.71073","MoKα","","0.0975","0.0577","","","0.1506","0.1785","","","","","","1.023","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218217","12.5764","0.0016","15.566","0.002","16.818","0.002","65.345","0.002","82.005","0.002","68.245","0.002","2778.6","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-ethylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C66 H64 N6 O15 -","- C66 H64 N6 O15 -","- C132 H128 N12 O30 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.71073","MoKα","","0.1061","0.0586","","","0.1405","0.1638","","","","","","1.049","","","","has coordinates,has disorder","301864","2025-08-22","15:14:37",""
"7218218","15.986","0.003","13.95","0.003","19.675","0.004","90","","99.924","0.003","90","","4322","1.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C-ethylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C51 H51 N3 O13 -","- C51 H51 N3 O13 -","- C204 H204 N12 O52 -","4","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.71073","MoKα","","0.0895","0.0485","","","0.1104","0.1349","","","","","","1.017","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218219","12.453","0.003","15.858","0.003","19.087","0.006","110.506","0.004","94.181","0.004","110.339","0.003","3228","1.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-propylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C71.5 H79 N6 O17 -","- C71.5 H78 N6 O17 -","- C143 H156 N12 O34 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.71073","MoKα","","0.1131","0.0677","","","0.1782","0.207","","","","","","1.067","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7218220","12.6569","0.001","15.762","0.0013","18.771","0.002","109.665","0.001","92.113","0.001","111.92","0.001","3214.3","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-propylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C72 H80 N6 O17 -","- C72 H78 N6 O17 -","- C144 H156 N12 O34 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.71073","MoKα","","0.0691","0.0479","","","0.1234","0.1371","","","","","","1.047","","","","has coordinates,has disorder","180513","2020-10-21","18:00:00",""
"7218221","12.618","0.003","15.758","0.003","18.702","0.004","109.763","0.003","92.291","0.003","112.029","0.003","3184.2","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","C-propylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C73 H82 N6 O17 -","- C73 H80 N6 O17 -","- C146 H160 N12 O34 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.7749","synchrotron","","0.089","0.0615","","","0.1671","0.1892","","","","","","1.036","","","","has coordinates,has disorder","180513","2020-10-21","18:00:00",""
"7218222","11.8485","0.0016","12.7498","0.0017","18.287","0.002","84.294","0.002","85.839","0.002","63.72","0.002","2463.5","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","C-propylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C57 H65 N3 O18 -","- C57 H65 N3 O18 -","- C114 H130 N6 O36 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.7749","synchrotron","","0.0863","0.0631","","","0.1649","0.185","","","","","","1.039","","","","has coordinates,has disorder","180513","2020-10-21","18:00:00",""
"7218223","18.733","0.002","12.8486","0.0013","22.432","0.002","90","","106.873","0.001","90","","5166.8","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C-propylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C57 H66 N4 O15 -","- C57 H62 N4 O15 -","- C228 H248 N16 O60 -","4","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.71073","MoKα","","0.1318","0.0599","","","0.1468","0.189","","","","","","1.031","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218224","10.771","0.002","6.4406","0.0013","19.57","0.004","90","","98.21","0.03","90","","1343.7","0.5","223","2","223","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C32 H28 N2 O4 Zn -","- C32 H28 N2 O4 Zn -","- C64 H56 N4 O8 Zn2 -","2","0.5","","Ge, Yu; Li, Ni-Ya; Ma, Wei; Liu, Dong; Tang, Xiao-Yan","Structural diversity and photoluminescence properties of zinc coordination polymers constructed from 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and para-dicarboxylates","CrystEngComm","2014","16","48","10949","","10.1039/C4CE01635A","","","0.71073","MoKα","","0.0299","0.0277","","","0.0763","0.0777","","","","","","1.085","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218225","10.388","0.002","14.804","0.003","20.219","0.004","83.24","0.03","84.1","0.03","87.45","0.03","3069.7","1.1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H68 N4 O8 Zn2 -","- C64 H68 N4 O8 Zn2 -","- C128 H136 N8 O16 Zn4 -","2","1","","Ge, Yu; Li, Ni-Ya; Ma, Wei; Liu, Dong; Tang, Xiao-Yan","Structural diversity and photoluminescence properties of zinc coordination polymers constructed from 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and para-dicarboxylates","CrystEngComm","2014","16","48","10949","","10.1039/C4CE01635A","","","0.71073","MoKα","","0.0786","0.0485","","","0.1174","0.1326","","","","","","1.012","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218226","15.281","0.003","21.46","0.004","15.867","0.003","90","","94.63","0.03","90","","5186.3","1.7","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26.5 H20.75 N1.25 O4 Zn -","- C26.5 H20.75 N1.25 O4 Zn -","- C212 H166 N10 O32 Zn8 -","8","1","","Ge, Yu; Li, Ni-Ya; Ma, Wei; Liu, Dong; Tang, Xiao-Yan","Structural diversity and photoluminescence properties of zinc coordination polymers constructed from 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and para-dicarboxylates","CrystEngComm","2014","16","48","10949","","10.1039/C4CE01635A","","","0.71073","MoKα","","0.0756","0.0593","","","0.1533","0.1694","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218227","16.26","0.003","16.26","0.003","16.549","0.003","90","","90","","90","","4375.4","1.4","223","2","223","2","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","","","- C26 H20 N O5 Zn -","- C26 H20 N O5 Zn -","- C208 H160 N8 O40 Zn8 -","8","0.5","","Ge, Yu; Li, Ni-Ya; Ma, Wei; Liu, Dong; Tang, Xiao-Yan","Structural diversity and photoluminescence properties of zinc coordination polymers constructed from 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and para-dicarboxylates","CrystEngComm","2014","16","48","10949","","10.1039/C4CE01635A","","","0.71073","MoKα","","0.0487","0.0421","","","0.1117","0.1189","","","","","","1.052","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218228","15.063","0.003","6.1809","0.0012","23.546","0.008","90","","117.92","0.02","90","","1937","0.9","223","2","223","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C42 H38 N2 O5 Zn -","- C42 H38 N2 O5 Zn -","- C84 H76 N4 O10 Zn2 -","2","0.5","","Ge, Yu; Li, Ni-Ya; Ma, Wei; Liu, Dong; Tang, Xiao-Yan","Structural diversity and photoluminescence properties of zinc coordination polymers constructed from 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and para-dicarboxylates","CrystEngComm","2014","16","48","10949","","10.1039/C4CE01635A","","","0.71073","MoKα","","0.078","0.0691","","","0.1995","0.2073","","","","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218229","16.99","0.003","18.475","0.004","11.966","0.002","90","","92.92","0.03","90","","3751.1","1.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C29 H17 F18 N4 Nd O6 -","- C29 H17 F18 N4 Nd O6 -","- C116 H68 F72 N16 Nd4 O24 -","4","1","","Sun, Ou; Gao, Ting; Sun, Jingwen; Li, Guangming; Li, Hongfeng; Xu, Hui; Wang, Cheng; Yan, Pengfei","A series of lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands","CrystEngComm","2014","16","45","10460","","10.1039/C4CE01556H","","","0.71073","MoKα","","0.0547","0.0356","","","0.0838","0.0915","","","","","","0.962","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218230","16.975","0.003","18.527","0.004","11.936","0.002","90","","93.47","0.03","90","","3746.9","1.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C29 H17 F18 N4 O6 Sm -","- C29 H17 F18 N4 O6 Sm -","- C116 H68 F72 N16 O24 Sm4 -","4","1","","Sun, Ou; Gao, Ting; Sun, Jingwen; Li, Guangming; Li, Hongfeng; Xu, Hui; Wang, Cheng; Yan, Pengfei","A series of lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands","CrystEngComm","2014","16","45","10460","","10.1039/C4CE01556H","","","0.71073","MoKα","","0.0514","0.036","","","0.0877","0.0968","","","","","","0.988","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218231","16.936","0.003","18.506","0.004","11.923","0.002","90","","93.65","0.03","90","","3729.3","1.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C29 H17 Eu F18 N4 O6 -","- C29 H17 Eu F18 N4 O6 -","- C116 H68 Eu4 F72 N16 O24 -","4","1","","Sun, Ou; Gao, Ting; Sun, Jingwen; Li, Guangming; Li, Hongfeng; Xu, Hui; Wang, Cheng; Yan, Pengfei","A series of lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands","CrystEngComm","2014","16","45","10460","","10.1039/C4CE01556H","","","0.71073","MoKα","","","0.0409","","","0.1118","0.1207","","","","","","1.045","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218232","17.701","0.0005","19.2428","0.0004","23.1401","0.0007","67.657","0.002","83.186","0.002","63.229","0.002","6495.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H58 F60 Gd4 N12 O24 -","- C96 H58 F60 Gd4 N12 O24 -","- C192 H116 F120 Gd8 N24 O48 -","2","1","","Sun, Ou; Gao, Ting; Sun, Jingwen; Li, Guangming; Li, Hongfeng; Xu, Hui; Wang, Cheng; Yan, Pengfei","A series of lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands","CrystEngComm","2014","16","45","10460","","10.1039/C4CE01556H","","","0.71073","MoKα","","0.0857","0.055","","","0.1431","0.1611","","","","","","1.081","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218233","12.44","0.005","20.322","0.005","20.819","0.005","70.278","0.005","74.202","0.005","79.033","0.005","4739","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H36 Dy3 F48 N11 O16 -","- C69 H36 Dy3 F48 N11 O16 -","- C138 H72 Dy6 F96 N22 O32 -","2","1","","Sun, Ou; Gao, Ting; Sun, Jingwen; Li, Guangming; Li, Hongfeng; Xu, Hui; Wang, Cheng; Yan, Pengfei","A series of lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands","CrystEngComm","2014","16","45","10460","","10.1039/C4CE01556H","","","0.71069","MoKα","","0.0832","0.0527","","","0.1139","0.1334","","","","","","1.039","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218234","23.313","0.005","11.45","0.002","24.062","0.005","90","","90","","90","","6423","2","293","2","293","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C44 H20 F36 N4 O12 Yb2 -","- C44 H20 F36 N4 O12 Yb2 -","- C176 H80 F144 N16 O48 Yb8 -","4","0.5","","Sun, Ou; Gao, Ting; Sun, Jingwen; Li, Guangming; Li, Hongfeng; Xu, Hui; Wang, Cheng; Yan, Pengfei","A series of lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands","CrystEngComm","2014","16","45","10460","","10.1039/C4CE01556H","","","0.71073","MoKα","","0.0771","0.0541","","","0.1405","0.1546","","","","","","1.079","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218244","12.123","0.0006","16.851","0.0008","17.716","0.0008","106.672","0.004","109.3","0.004","99.89","0.004","3126.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H68 N2 O30 Zn3 -","- C52 H52 N2 O30 Zn3 -","- C104 H104 N4 O60 Zn6 -","2","1","","Zhang, Hang; Jiang, Wei; Yang, Jin; Liu, Ying-Ying; Song, Shuyan; Ma, Jian-Fang","Four coordination polymers constructed by a novel octacarboxylate functionalized calix[4]arene ligand: syntheses, structures, and photoluminescence property","CrystEngComm","2014","16","42","9939","","10.1039/C4CE01581A","","","0.71069","MoKα","","0.111","0.0775","","","0.2248","0.2573","","","","","","1.035","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218245","16.719","0.0004","16.719","0.0004","24.598","0.0007","90","","90","","120","","5954.6","0.3","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C54 H82 Co4 N2 O39 -","- C54 H54 Co4 N2 O39 -","- C162 H162 Co12 N6 O117 -","3","0.5","","Zhang, Hang; Jiang, Wei; Yang, Jin; Liu, Ying-Ying; Song, Shuyan; Ma, Jian-Fang","Four coordination polymers constructed by a novel octacarboxylate functionalized calix[4]arene ligand: syntheses, structures, and photoluminescence property","CrystEngComm","2014","16","42","9939","","10.1039/C4CE01581A","","","0.71069","MoKα","","0.0948","0.065","","","0.1805","0.1996","","","","","","1.11","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218246","16.719","0.0007","16.719","0.0007","24.598","0.001","90","","90","","120","","5954.6","0.4","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C54 H82 N2 Ni4 O39 -","- C54 H54 N2 Ni4 O39 -","- C162 H162 N6 Ni12 O117 -","3","0.5","","Zhang, Hang; Jiang, Wei; Yang, Jin; Liu, Ying-Ying; Song, Shuyan; Ma, Jian-Fang","Four coordination polymers constructed by a novel octacarboxylate functionalized calix[4]arene ligand: syntheses, structures, and photoluminescence property","CrystEngComm","2014","16","42","9939","","10.1039/C4CE01581A","","","0.71069","MoKα","","0.1284","0.0746","","","0.1964","0.2379","","","","","","1.022","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218247","12.3029","0.0013","17.4336","0.0019","17.492","0.0018","67.67","0.01","76.2","0.009","71.884","0.009","3267.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H84 Mn3 N2 O39 -","- C53 H54 Mn3 N2 O39 -","- C106 H108 Mn6 N4 O78 -","2","1","","Zhang, Hang; Jiang, Wei; Yang, Jin; Liu, Ying-Ying; Song, Shuyan; Ma, Jian-Fang","Four coordination polymers constructed by a novel octacarboxylate functionalized calix[4]arene ligand: syntheses, structures, and photoluminescence property","CrystEngComm","2014","16","42","9939","","10.1039/C4CE01581A","","","0.71073","MoKα","","0.2191","0.0903","","","0.1829","0.2496","","","","","","0.973","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218258","15.675","0.002","18.849","0.005","19.855","0.005","90","","90","","90","","5866","2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H42 N4 O8 S -","- C22 H42 N4 O8 S -","- C176 H336 N32 O64 S8 -","8","2","","Gopinath, Pushparathinam; Ramkumar, Venkatachalam; Muraleedharan, Kannoth Manheri","Peptide turns through just ‘one atom’! A sulfamide group nucleates folding and stabilizes new supramolecular topologies in short peptides","CrystEngComm","2014","16","45","10371","","10.1039/C4CE01938E","","","0.71073","MoKα","","0.0708","0.0473","","","0.1106","0.1297","","","","","","1.032","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218259","9.1689","0.0004","15.824","0.0005","21.6607","0.001","90","","90","","90","","3142.7","0.2","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H46 N4 O8 S -","- C24 H46 N4 O8 S -","- C96 H184 N16 O32 S4 -","4","1","","Gopinath, Pushparathinam; Ramkumar, Venkatachalam; Muraleedharan, Kannoth Manheri","Peptide turns through just ‘one atom’! A sulfamide group nucleates folding and stabilizes new supramolecular topologies in short peptides","CrystEngComm","2014","16","45","10371","","10.1039/C4CE01938E","","","0.71073","MoKα","","0.1329","0.0743","","","0.1899","0.2296","","","","","","1.034","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218260","10.551","0.003","15.765","0.005","20.395","0.005","90","","90","","90","","3392.4","1.7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H50 N4 O8 S -","- C26 H50 N4 O8 S -","- C104 H200 N16 O32 S4 -","4","1","","Gopinath, Pushparathinam; Ramkumar, Venkatachalam; Muraleedharan, Kannoth Manheri","Peptide turns through just ‘one atom’! A sulfamide group nucleates folding and stabilizes new supramolecular topologies in short peptides","CrystEngComm","2014","16","45","10371","","10.1039/C4CE01938E","","","0.71073","MoKα","","0.0691","0.0536","","","0.1299","0.1423","","","","","","1.036","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218261","4.9125","0.0002","9.3729","0.0004","12.3508","0.0005","110.316","0.002","90.313","0.002","100.233","0.001","523.43","0.04","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C14 H26 N4 O8 S -","- C14 H26 N4 O8 S -","- C14 H26 N4 O8 S -","1","1","","Gopinath, Pushparathinam; Ramkumar, Venkatachalam; Muraleedharan, Kannoth Manheri","Peptide turns through just ‘one atom’! A sulfamide group nucleates folding and stabilizes new supramolecular topologies in short peptides","CrystEngComm","2014","16","45","10371","","10.1039/C4CE01938E","","","0.71073","MoKα","","0.0325","0.032","","","0.0869","0.0877","","","","","","1.062","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218267","37.303","0.0017","8.9433","0.0004","12.9288","0.0006","90","","100.327","0.002","90","","4243.3","0.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(BEDT-TTF)ethyl thiophene-2-carboxylate","","- C17 H14 O2 S9 -","- C17 H14 O2 S9 -","- C136 H112 O16 S72 -","8","1","","Wang, Qiang; Wallis, John D.; Wu, Yiliang; Pilkington, Melanie","A structural investigation of novel thiophene-functionalized BEDT-TTF donors for application as organic field-effect transistors","CrystEngComm","2014","16","44","10235","","10.1039/C4CE01686F","","","0.71073","MoKα","","0.0547","0.053","","","0.1198","0.1208","","","","","","1.113","","","","has coordinates,has disorder","301864","2025-08-22","15:14:37",""
"7218268","6.5563","0.0005","9.9629","0.0008","16.1326","0.0013","105.019","0.002","96.449","0.002","97.549","0.002","997.1","0.14","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","2-(BEDT-TTF)methyl thiophene-2-carboxylate","","- C16 H12 O2 S9 -","- C16 H12 O2 S9 -","- C32 H24 O4 S18 -","2","1","","Wang, Qiang; Wallis, John D.; Wu, Yiliang; Pilkington, Melanie","A structural investigation of novel thiophene-functionalized BEDT-TTF donors for application as organic field-effect transistors","CrystEngComm","2014","16","44","10235","","10.1039/C4CE01686F","","","0.71073","MoKα","","0.039","0.0357","","","0.0793","0.083","","","","","","1.147","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218269","8.204","0.003","12.534","0.003","18.02","0.005","90","","102.77","0.03","90","","1807.1","1","250","2","250","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C21 H16 N2 O7 -","- C21 H16 N2 O7 -","- C84 H64 N8 O28 -","4","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Improving solubility of fisetin by cocrystallization","CrystEngComm","2014","16","46","10592","","10.1039/C4CE01713G","","","0.71073","MoKα","","0.1207","0.0584","","","0.1188","0.1316","","","","","","1","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218270","7.553","0.002","14.247","0.005","15.149","0.005","66.25","0.04","79.39","0.03","81.05","0.03","1460.6","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H30 N8 O10 -","- C31 H30 N8 O10 -","- C62 H60 N16 O20 -","2","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Improving solubility of fisetin by cocrystallization","CrystEngComm","2014","16","46","10592","","10.1039/C4CE01713G","","","0.71073","MoKα","","0.161","0.0663","","","0.107","0.1224","","","","","","1.005","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218271","3.4771","0.0008","10.671","0.002","10.22","0.002","90","","94.143","0.004","90","","378.21","0.13","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C H2 Ag N5 -","- C H2 Ag N5 -","- C4 H8 Ag4 N20 -","4","1","","Zhang, Qi; Chen, Dong; He, Xuan; Huang, Shiliang; Huang, Jinglun; Zhou, Xiaoqing; Yang, Zongwei; Li, Jinshan; Li, Hongzhen; Nie, Fude","Structures, photoluminescence and photocatalytic properties of two novel metal‒organic frameworks based on tetrazole derivatives","CrystEngComm","2014","16","45","10485","","10.1039/C4CE01388C","","","0.71073","MoKα","","0.0382","0.0338","","","0.0965","0.0986","","","","","","1.16","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218272","4.5401","0.0006","11.0469","0.0015","14.585","0.002","90","","93.647","0.002","90","","730.02","0.17","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H8 Ag N7 -","- C3 H8 Ag N7 -","- C12 H32 Ag4 N28 -","4","1","","Zhang, Qi; Chen, Dong; He, Xuan; Huang, Shiliang; Huang, Jinglun; Zhou, Xiaoqing; Yang, Zongwei; Li, Jinshan; Li, Hongzhen; Nie, Fude","Structures, photoluminescence and photocatalytic properties of two novel metal‒organic frameworks based on tetrazole derivatives","CrystEngComm","2014","16","45","10485","","10.1039/C4CE01388C","","","0.71073","MoKα","","0.0336","0.0268","","","0.072","0.075","","","","","","1.146","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218273","10.0914","0.0005","12.6143","0.0006","13.2987","0.0006","99.312","0.003","100.74","0.004","96.354","0.004","1623.89","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H44 Cl6 La2 N4 O14 -","- C66 H44 Cl6 La2 N4 O14 -","- C66 H44 Cl6 La2 N4 O14 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.0508","0.0347","","","0.0603","0.0659","","","","","","1.013","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218274","8.4595","0.0005","12.9231","0.0008","15.4404","0.0009","98.995","0.006","100.654","0.007","100.68","0.006","1598.09","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H44 Ce2 Cl6 N4 O14 -","- C66 H44 Ce2 Cl6 N4 O14 -","- C66 H44 Ce2 Cl6 N4 O14 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.057","0.0384","","","0.0688","0.0755","","","","","","0.995","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218275","8.4411","0.0003","12.9074","0.0004","15.4508","0.0005","98.976","0.001","100.829","0.001","100.727","0.002","1592.4","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H44 Cl6 N4 Nd2 O14 -","- C66 H44 Cl6 N4 Nd2 O14 -","- C66 H44 Cl6 N4 Nd2 O14 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.0532","0.037","","","0.0653","0.0716","","","","","","1.037","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218276","10.0492","0.0004","11.9135","0.0005","14.3855","0.0006","110.397","0.002","96.364","0.003","102.19","0.002","1545.56","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H40 Cl6 N4 O12 Sm2 -","- C66 H40 Cl6 N4 O12 Sm2 -","- C66 H40 Cl6 N4 O12 Sm2 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.0247","0.0213","","","0.0503","0.0523","","","","","","1.044","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218277","10.0755","0.0003","11.8866","0.0003","14.3488","0.0004","110.75","0.03","96.41","0.03","101.87","0.02","1540.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H40 Cl6 Gd2 N4 O12 -","- C66 H40 Cl6 Gd2 N4 O12 -","- C66 H40 Cl6 Gd2 N4 O12 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.0317","0.0249","","","0.0513","0.0539","","","","","","1.028","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218278","10.0939","0.0003","11.8412","0.0004","14.2899","0.0005","111.041","0.002","96.482","0.001","101.468","0.001","1530.25","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H40 Cl6 Ho2 N4 O12 -","- C66 H40 Cl6 Ho2 N4 O12 -","- C66 H40 Cl6 Ho2 N4 O12 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.033","0.0258","","","0.0512","0.0541","","","","","","1.03","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218279","10.0959","0.0003","11.8279","0.0003","14.274","0.0004","111.186","0.0009","96.461","0.0009","101.386","0.0011","1526.17","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H40 Cl6 Er2 N4 O12 -","- C66 H40 Cl6 Er2 N4 O12 -","- C66 H40 Cl6 Er2 N4 O12 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.0292","0.0236","","","0.0493","0.0515","","","","","","1.035","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218280","10.1079","0.0003","11.819","0.0003","14.2667","0.0004","111.32","0.002","96.529","0.003","101.207","0.002","1525.43","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H40 Cl6 N4 O12 Tm2 -","- C66 H40 Cl6 N4 O12 Tm2 -","- C66 H40 Cl6 N4 O12 Tm2 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.0341","0.0267","","","0.0554","0.0586","","","","","","1.035","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218281","10.0937","0.0008","11.8057","0.0009","14.2502","0.0011","111.386","0.005","96.465","0.004","101.209","0.005","1519.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H40 Cl6 N4 O12 Yb2 -","- C66 H40 Cl6 N4 O12 Yb2 -","- C66 H40 Cl6 N4 O12 Yb2 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.0373","0.0284","","","0.0551","0.0586","","","","","","0.995","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218282","10.1082","0.0005","11.7926","0.0005","14.244","0.0007","111.419","0.003","96.559","0.003","101.088","0.002","1519.19","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H40 Cl6 Lu2 N4 O12 -","- C66 H40 Cl6 Lu2 N4 O12 -","- C66 H40 Cl6 Lu2 N4 O12 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.0664","0.0407","","","0.0588","0.0661","","","","","","0.986","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218283","10.0929","0.0008","11.8472","0.0009","14.288","0.0011","111.16","0.003","96.429","0.004","101.497","0.004","1529.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H40 Cl6 N4 O12 Y2 -","- C66 H40 Cl6 N4 O12 Y2 -","- C66 H40 Cl6 N4 O12 Y2 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.0696","0.0422","","","0.0744","0.083","","","","","","1.011","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218284","7.1325","0.0014","11.657","0.002","11.979","0.002","61.83","0.03","86.14","0.03","76.85","0.03","854","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H9 F4 N3 O4 -","- C18 H9 F4 N3 O4 -","- C36 H18 F8 N6 O8 -","2","1","","Meng, Xiao; Chen, Hao; Xu, Shu; Ma, Yuguo","Metal-free 1,3-dipolar cycloaddition polymerization via prearrangement of azide and alkyne in the solid state","CrystEngComm","2014","16","43","9983","","10.1039/C4CE01690D","","","0.71073","MoKα","","0.1244","0.1067","","","0.2711","0.29","","","","","","1.155","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218285","5.8306","0.0012","9.969","0.002","15.544","0.003","71.39","0.03","87.46","0.03","86.71","0.03","854.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H11 F4 N3 O4 -","- C19 H11 F4 N3 O4 -","- C38 H22 F8 N6 O8 -","2","1","","Meng, Xiao; Chen, Hao; Xu, Shu; Ma, Yuguo","Metal-free 1,3-dipolar cycloaddition polymerization via prearrangement of azide and alkyne in the solid state","CrystEngComm","2014","16","43","9983","","10.1039/C4CE01690D","","","0.71073","MoKα","","0.0475","0.0453","","","0.1157","0.1176","","","","","","1.093","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218286","5.653","0.004","9.661","0.008","18.613","0.014","93.602","0.015","91.807","0.014","96.604","0.014","1007","1.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 F4 N3 O4 -","- C22 H17 F4 N3 O4 -","- C44 H34 F8 N6 O8 -","2","1","","Meng, Xiao; Chen, Hao; Xu, Shu; Ma, Yuguo","Metal-free 1,3-dipolar cycloaddition polymerization via prearrangement of azide and alkyne in the solid state","CrystEngComm","2014","16","43","9983","","10.1039/C4CE01690D","","","0.71073","MoKα","","0.0825","0.0697","","","0.1598","0.1685","","","","","","1.142","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218287","7.5088","0.0015","10.929","0.002","12.823","0.003","112.78","0.03","93.81","0.03","105.56","0.03","917.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 F4 N3 O4 -","- C20 H13 F4 N3 O4 -","- C40 H26 F8 N6 O8 -","2","1","","Meng, Xiao; Chen, Hao; Xu, Shu; Ma, Yuguo","Metal-free 1,3-dipolar cycloaddition polymerization via prearrangement of azide and alkyne in the solid state","CrystEngComm","2014","16","43","9983","","10.1039/C4CE01690D","","","0.71073","MoKα","","0.0575","0.0523","","","0.1245","0.1291","","","","","","1.085","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218294","8.4167","0.0011","10.2057","0.0014","11.0501","0.0015","83.969","0.003","78.625","0.002","79.928","0.003","913.7","0.2","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H36 F12 Li2 N6 O8 S4 -","- C18 H36 F12 Li2 N6 O8 S4 -","- C18 H36 F12 Li2 N6 O8 S4 -","1","0.5","","Moriya, Makoto; Nomura, Kuniyoshi; Sakamoto, Wataru; Yogo, Toshinobu","Precisely controlled supramolecular ionic conduction paths and their structure–conductivity relationships for lithium ion transport","CrystEngComm","2014","16","45","10512","","10.1039/C4CE01417K","","","0.71073","MoKα","","0.0447","0.0401","","","0.1046","0.1084","","","","","","1.048","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218295","12.4175","0.0014","9.8024","0.0011","15.7042","0.0016","90","","105.303","0.003","90","","1843.8","0.3","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H36 F12 Li2 N6 O8 S4 -","- C18 H36 F12 Li2 N6 O8 S4 -","- C36 H72 F24 Li4 N12 O16 S8 -","2","0.5","","Moriya, Makoto; Nomura, Kuniyoshi; Sakamoto, Wataru; Yogo, Toshinobu","Precisely controlled supramolecular ionic conduction paths and their structure–conductivity relationships for lithium ion transport","CrystEngComm","2014","16","45","10512","","10.1039/C4CE01417K","","","0.71073","MoKα","","0.1295","0.0876","","","0.1839","0.2038","","","","","","1.082","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218296","11.964","0.003","10.381","0.003","16.974","0.004","90","","100.531","0.004","90","","2072.6","0.9","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H48 F12 Li2 N6 O8 S4 -","- C24 H48 F12 Li2 N6 O8 S4 -","- C48 H96 F24 Li4 N12 O16 S8 -","2","0.5","","Moriya, Makoto; Nomura, Kuniyoshi; Sakamoto, Wataru; Yogo, Toshinobu","Precisely controlled supramolecular ionic conduction paths and their structure–conductivity relationships for lithium ion transport","CrystEngComm","2014","16","45","10512","","10.1039/C4CE01417K","","","0.71073","MoKα","","0.0362","0.0324","","","0.0877","0.091","","","","","","1.016","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218297","12.2852","0.0014","13.5924","0.0016","16.4701","0.0019","90","","90","","90","","2750.3","0.6","153","2","153","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C14 H32 F6 Li2 N4 O6 S2 -","- C14 H32 F6 Li2 N4 O6 S2 -","- C56 H128 F24 Li8 N16 O24 S8 -","4","0.5","","Moriya, Makoto; Nomura, Kuniyoshi; Sakamoto, Wataru; Yogo, Toshinobu","Precisely controlled supramolecular ionic conduction paths and their structure–conductivity relationships for lithium ion transport","CrystEngComm","2014","16","45","10512","","10.1039/C4CE01417K","","","0.71073","MoKα","","0.0889","0.0732","","","0.2063","0.2276","","","","","","1.042","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218298","10.3685","0.0007","26.786","0.0014","7.3961","0.0006","90","","104.892","0.008","90","","1985.1","0.2","120","2","120","2","","","","","","","Synthetic","4","P 1 21/c 1","-P 2ybc","14","","(E)-2-(4-(2-(anthracen-9-yl)vinyl)-3-cyano-5,5-dimethylfuran-2(5H)-ylidene)malononitrile","","- C26 H17 N3 O -","- C26 H17 N3 O -","- C104 H68 N12 O4 -","4","1","","Planells, Miquel; Pizzotti, Maddalena; Nichol, Gary S.; Tessore, Francesca; Robertson, Neil","Effect of torsional twist on 2nd order non-linear optical activity of anthracene and pyrene tricyanofuran derivatives.","Physical chemistry chemical physics : PCCP","2014","16","42","23404","23411","10.1039/c4cp03509g","","x-ray","1.54178","CuKα","","0.1021","0.0505","","","0.1075","0.1325","","","","","","1.04","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218299","22.424","0.004","15.2492","0.0019","6.8252","0.0013","90","","98.75","","90","","2306.7","0.7","120","2","120","2","","","","","","","Synthetic","5","P 1 21/c 1","-P 2ybc","14","","(E)-2-(3-cyano-5,5-dimethyl-4-(2-(pyren-1-yl)vinyl)furan-2(5H)-ylidene)malononitrile","","- C29 H21 Cl2 N3 O -","- C29 H19 Cl2 N3 O -","- C116 H76 Cl8 N12 O4 -","4","1","","Planells, Miquel; Pizzotti, Maddalena; Nichol, Gary S.; Tessore, Francesca; Robertson, Neil","Effect of torsional twist on 2nd order non-linear optical activity of anthracene and pyrene tricyanofuran derivatives.","Physical chemistry chemical physics : PCCP","2014","16","42","23404","23411","10.1039/c4cp03509g","","x-ray","1.54178","CuKα","","0.2395","0.2111","","","0.4705","0.4819","","","","","","2.793","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218309","9.523","0.005","14.45","0.006","20.41","0.009","71.148","0.014","79.669","0.017","76.292","0.015","2566","2","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H26 Cu3 O16 S2 -","- C16 H20 Cu3 O16 S2 -","- C64 H80 Cu12 O64 S8 -","4","2","","Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Fujii, Yutaka; Kikuchi, Hikomitsu; Fujita, Wataru","Preparation, crystal structure, and magnetic properties of a copper hydroxy salt with diamond chain magnetic network","CrystEngComm","2014","16","45","10385","","10.1039/C4CE01642D","","","0.71075","MoKα","","0.1355","0.0625","","","0.1423","0.183","","","","","","1.033","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218310","5.712","0.004","8.741","0.006","27.1","0.016","97.596","0.009","91.516","0.006","100.966","0.01","1314.8","1.5","250","","250","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H26 Cu3 O16 S2 -","- C16 H16 Cu2.5 O16 S2 -","- C32 H32 Cu5 O32 S4 -","2","1","","Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Fujii, Yutaka; Kikuchi, Hikomitsu; Fujita, Wataru","Preparation, crystal structure, and magnetic properties of a copper hydroxy salt with diamond chain magnetic network","CrystEngComm","2014","16","45","10385","","10.1039/C4CE01642D","","","0.71075","MoKα","","","0.0479","","","","0.133","","","","","","1.041","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218311","6.8581","0.0002","14.7849","0.0004","17.3015","0.0006","90","","90.966","0.002","90","","1754.06","0.09","296","","296","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 B F I N2 O -","- C20 H13 B F I N2 O -","- C80 H52 B4 F4 I4 N8 O4 -","4","1","","Wesela-Bauman, Grzegorz; Parsons, Simon; Serwatowski, Janusz; Woźniak, Krzysztof","Effect of high pressure on the crystal structure and charge transport properties of the (2-fluoro-3-pyridyl)(4-iodophenyl)borinic 8-oxyquinolinate complex","CrystEngComm","2014","16","47","10780","","10.1039/C4CE01730G","","","0.71073","MoKα","","0.1196","0.051","","0.1015","0.0512","0.0512","","","","","","1","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218312","6.8234","0.0004","14.7074","0.0007","17.2","0.002","90","","90.814","0.007","90","","1725.9","0.2","296","","296","","","","164630","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 B F I N2 O -","- C20 H13 B F I N2 O -","- C80 H52 B4 F4 I4 N8 O4 -","4","1","","Wesela-Bauman, Grzegorz; Parsons, Simon; Serwatowski, Janusz; Woźniak, Krzysztof","Effect of high pressure on the crystal structure and charge transport properties of the (2-fluoro-3-pyridyl)(4-iodophenyl)borinic 8-oxyquinolinate complex","CrystEngComm","2014","16","47","10780","","10.1039/C4CE01730G","","","0.71073","MoKα","","0.0732","0.0501","","0.0671","0.0396","0.0396","","","","","","0.9999","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218313","6.6545","0.0002","14.3261","0.0005","16.7183","0.0014","90","","90.46","0.005","90","","1593.75","0.15","296","","296","","","","1085560","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 B F I N2 O -","- C20 H13 B F I N2 O -","- C80 H52 B4 F4 I4 N8 O4 -","4","1","","Wesela-Bauman, Grzegorz; Parsons, Simon; Serwatowski, Janusz; Woźniak, Krzysztof","Effect of high pressure on the crystal structure and charge transport properties of the (2-fluoro-3-pyridyl)(4-iodophenyl)borinic 8-oxyquinolinate complex","CrystEngComm","2014","16","47","10780","","10.1039/C4CE01730G","","","0.71073","MoKα","","0.0642","0.0354","","0.0571","0.0385","0.0385","","","","","","0.9999","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218314","6.5502","0.0004","14.1051","0.0007","16.497","0.003","90","","90.396","0.008","90","","1524.1","0.3","296","","296","","","","2037080","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 B F I N2 O -","- C20 H13 B F I N2 O -","- C80 H52 B4 F4 I4 N8 O4 -","4","1","","Wesela-Bauman, Grzegorz; Parsons, Simon; Serwatowski, Janusz; Woźniak, Krzysztof","Effect of high pressure on the crystal structure and charge transport properties of the (2-fluoro-3-pyridyl)(4-iodophenyl)borinic 8-oxyquinolinate complex","CrystEngComm","2014","16","47","10780","","10.1039/C4CE01730G","","","0.71073","MoKα","","0.0467","0.0326","","0.0438","0.0348","0.0348","","","","","","0.9999","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218315","6.4636","0.0002","13.8775","0.0005","16.3094","0.0016","90","","90.317","0.005","90","","1462.91","0.16","296","","296","","","","3019480","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 B F I N2 O -","- C20 H13 B F I N2 O -","- C80 H52 B4 F4 I4 N8 O4 -","4","1","","Wesela-Bauman, Grzegorz; Parsons, Simon; Serwatowski, Janusz; Woźniak, Krzysztof","Effect of high pressure on the crystal structure and charge transport properties of the (2-fluoro-3-pyridyl)(4-iodophenyl)borinic 8-oxyquinolinate complex","CrystEngComm","2014","16","47","10780","","10.1039/C4CE01730G","","","0.71073","MoKα","","0.0477","0.0339","","0.0413","0.0355","0.0355","","","","","","0.9998","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218316","6.4012","0.0004","13.7152","0.0009","16.187","0.003","90","","90.438","0.008","90","","1421.1","0.3","296","","296","","","","3963500","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 B F I N2 O -","- C20 H13 B F I N2 O -","- C80 H52 B4 F4 I4 N8 O4 -","4","1","","Wesela-Bauman, Grzegorz; Parsons, Simon; Serwatowski, Janusz; Woźniak, Krzysztof","Effect of high pressure on the crystal structure and charge transport properties of the (2-fluoro-3-pyridyl)(4-iodophenyl)borinic 8-oxyquinolinate complex","CrystEngComm","2014","16","47","10780","","10.1039/C4CE01730G","","","0.71073","MoKα","","0.0506","0.034","","0.0452","0.0367","0.0367","","","","","","0.9999","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218317","6.3469","0.0005","13.6039","0.001","16.105","0.003","90","","90.549","0.01","90","","1390.5","0.3","296","","296","","","","4882700","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 B F I N2 O -","- C20 H13 B F I N2 O -","- C80 H52 B4 F4 I4 N8 O4 -","4","1","","Wesela-Bauman, Grzegorz; Parsons, Simon; Serwatowski, Janusz; Woźniak, Krzysztof","Effect of high pressure on the crystal structure and charge transport properties of the (2-fluoro-3-pyridyl)(4-iodophenyl)borinic 8-oxyquinolinate complex","CrystEngComm","2014","16","47","10780","","10.1039/C4CE01730G","","","0.71073","MoKα","","0.0615","0.0392","","0.0553","0.0417","0.0417","","","","","","0.9999","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218320","5.0587","0.0004","5.0974","0.0004","24.1635","0.0019","84.859","0.002","84.33","0.002","88.194","0.002","617.38","0.08","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","DW-10-7 (3-pyridyl)-CONH-(CH2)8-NHCO-(3-pyridyl), I-(CF2)2-I","","- C22 H26 F4 I2 N4 O2 -","- C22 H26 F4 I2 N4 O2 -","- C22 H26 F4 I2 N4 O2 -","1","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0235","0.0219","","","0.0563","0.0599","","","","","","0.989","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218321","5.0194","0.0003","5.0906","0.0003","26.5502","0.0014","85.503","0.002","85.901","0.002","88.219","0.001","674.36","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","DW-10-8 (3-pyridyl)-CONH-(CH2)8-NHCO-(3-pyridyl), I-(CF2)4-I","","- C24 H26 F8 I2 N4 O2 -","- C24 H26 F8 I2 N4 O2 -","- C24 H26 F8 I2 N4 O2 -","1","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0168","0.0161","","","0.041","0.0414","","","","","","1.022","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218322","5.0345","0.0012","5.1049","0.0012","29.113","0.007","85.793","0.006","87.469","0.007","88.033","0.005","745.1","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","DW-10-9 (3-pyridyl)-CONH-(CH2)8-NHCO-(3-pyridyl), I-(CF2)6-I","","- C26 H26 F12 I2 N4 O2 -","- C26 H26 F12 I2 N4 O2 -","- C26 H26 F12 I2 N4 O2 -","1","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0287","0.0281","","","0.072","0.0725","","","","","","1.131","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218323","5.0593","0.0007","5.0774","0.0007","22.229","0.003","94.513","0.005","91.986","0.004","91.522","0.004","568.66","0.14","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","DW-8-7 (3-pyridyl)-CONH-(CH2)6-NHCO-(3-pyridyl), I-(CF2)2-I","","- C20 H22 F4 I2 N4 O2 -","- C20 H22 F4 I2 N4 O2 -","- C20 H22 F4 I2 N4 O2 -","1","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0259","0.0244","","","0.0688","0.0752","","","","","","1.183","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218324","64.445","0.006","4.9349","0.0004","9.1473","0.0008","90","","90","","90","","2909.1","0.4","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","DW-8-9 (3-pyridyl)-CONH-(CH2)6-NHCO-(3-pyridyl), I-(CF2)6-I","","- C24 H22 F12 I2 N4 O2 -","- C24 H22 F12 I2 N4 O2 -","- C96 H88 F48 I8 N16 O8 -","4","1","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0496","0.0367","","","0.106","0.1164","","","","","","1.048","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218325","5.0528","0.0004","5.1104","0.0004","29.87","0.002","86.386","0.002","87.93","0.002","87.776","0.002","768.75","0.1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","DW-8-18 (3-pyridyl)-CONH-(CH2)6-NHCO-(3-pyridyl), I-(CF2)8-I","","- C26 H22 F16 I2 N4 O2 -","- C26 H22 F16 I2 N4 O2 -","- C26 H22 F16 I2 N4 O2 -","1","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0301","0.0273","","","0.071","0.0729","","","","","","0.975","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218326","40.059","0.005","5.6695","0.0005","9.7828","0.0012","90","","102.959","0.003","90","","2165.2","0.4","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 F4 I2 N4 O2 -","- C18 H18 F4 I2 N4 O2 -","- C72 H72 F16 I8 N16 O8 -","4","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0179","0.0142","","","0.0342","0.0361","","","","","","1.052","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218327","4.9772","0.0012","10.655","0.003","12.169","0.003","71.067","0.002","88.865","0.003","86.924","0.002","609.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 F8 I2 N4 O2 -","- C20 H18 F8 I2 N4 O2 -","- C20 H18 F8 I2 N4 O2 -","1","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0269","0.0225","","","0.0498","0.0525","","","","","","1.021","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218328","49.953","0.003","5.5707","0.0003","9.7257","0.0006","90","","95.234","0.002","90","","2695.1","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","DW-6-9 (3-pyridyl)-COHN-(CH2)4-NHCO-(3-pyridyl), I-(CF2)6-I","","- C22 H18 F12 I2 N4 O2 -","- C22 H18 F12 I2 N4 O2 -","- C88 H72 F48 I8 N16 O8 -","4","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0233","0.022","","","0.0567","0.0574","","","","","","1.033","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218329","54.569","0.003","5.6337","0.0003","9.7038","0.0006","90","","92.37","0.002","90","","2980.6","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","DW-6-18 (3-pyridyl)-COHN-(CH2)4-NHCO-(3-pyridyl), I-(CF2)8-I","","- C24 H18 F16 I2 N4 O2 -","- C24 H18 F16 I2 N4 O2 -","- C96 H72 F64 I8 N16 O8 -","4","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0326","0.0266","","","0.0618","0.0641","","","","","","1.07","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218330","12.7557","0.0006","9.5667","0.0005","9.7394","0.0005","90","","110.988","0.001","90","","1109.65","0.1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","DW-3-8 (3-pyridyl)-CONH-(CH2)4-NHCO-(3-pyridyl), I-(CF2)4-I","","- C18 H14 F8 I2 N4 O2 -","- C18 H14 F8 I2 N4 O2 -","- C36 H28 F16 I4 N8 O4 -","2","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0285","0.0252","","","0.0607","0.0631","","","","","","1.069","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218331","13.7352","0.0008","9.3958","0.0005","9.8519","0.0006","90","","103.888","0.002","90","","1234.25","0.12","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","DW-3-9 (3-pyridyl)-CONH-(CH2)2-NHCO-(3-pyridyl), I-(CF2)6-I","","- C20 H14 F12 I2 N4 O2 -","- C20 H14 F12 I2 N4 O2 -","- C40 H28 F24 I4 N8 O4 -","2","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0242","0.0211","","","0.0472","0.0484","","","","","","1.034","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218332","15.1894","0.0018","9.3947","0.0011","9.8668","0.0011","90","","95.169","0.004","90","","1402.3","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","DW-3-18 (3-pyridyl)-CONH-(CH2)2-NHCO-(3-pyridyl), I-(CF2)8-I","","- C22 H14 F16 I2 N4 O2 -","- C22 H14 F16 I2 N4 O2 -","- C44 H28 F32 I4 N8 O4 -","2","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0335","0.03","","","0.0897","0.1023","","","","","","1.213","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218341","10.118","0.003","11.051","0.003","21.051","0.005","90","","99.029","0.005","90","","2324.6","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Cu N2 O10 -","- C26 H18 Cu N2 O10 -","- C104 H72 Cu4 N8 O40 -","4","0.5","","Kathalikkattil, Amal Cherian; Kim, Dong-Woo; Tharun, Jose; Soek, Han-Geul; Roshan, Roshith; Park, Dae-Won","Aqueous-microwave synthesized carboxyl functional molecular ribbon coordination framework catalyst for the synthesis of cyclic carbonates from epoxides and CO2","Green Chemistry","2014","16","3","1607","","10.1039/c3gc41833b","","","0.71073","MoKα","","0.0851","0.0525","","","0.1152","0.1316","","","","","","1.048","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218342","9.2374","0.0013","13.1931","0.0019","13.996","0.002","62.333","0.004","87.519","0.005","89.003","0.005","1509.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H72 Cl10 Cu N8 O4 -","- C54 H72 Cl10 Cu N8 O4 -","- C54 H72 Cl10 Cu N8 O4 -","1","0.5","","Li, Lei; Maddalena, Francesco; Oliveros, Malena; Caironi, Mario; Guo, Fang; Martí-Rujas, Javier","A second sphere coordination adduct containing one-dimensional water/methanol channels: X-ray structures, thermal stability and single crystal impedance spectroscopy analysis","CrystEngComm","2014","16","47","10888","","10.1039/C4CE01570C","","","1.54178","CuKα","","0.0465","0.0407","","","0.1105","0.1121","","","","","","1.056","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218343","9.3862","0.0016","13.686","0.002","13.827","0.002","60.772","0.011","85.924","0.013","85.375","0.014","1544","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4,4-methylene dianiline copper chloride","","- C53 H66 Cl12 Cu N8 -","- C53.002 H66.004 Cl12.004 Cu N8 -","- C53.002 H66.004 Cl12.004 Cu N8 -","1","0.5","","Li, Lei; Maddalena, Francesco; Oliveros, Malena; Caironi, Mario; Guo, Fang; Martí-Rujas, Javier","A second sphere coordination adduct containing one-dimensional water/methanol channels: X-ray structures, thermal stability and single crystal impedance spectroscopy analysis","CrystEngComm","2014","16","47","10888","","10.1039/C4CE01570C","","","1.54178","CuKα","","0.1912","0.1499","","","0.3867","0.4092","","","","","","1.524","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218344","27.4518","0.0011","27.4518","0.0011","18.2099","0.0008","90","","90","","90","","13723","1","100","2","100","2","","","","","","","","4","P 4 c c","P 4 -2c","103","","5,10,15,20-tetra(4-hydroxyphenyl)-21,23H-porphyrin nitrobenzene hexasolvate","","- C80 H60 N10 O16 -","- C80 H60 N10 O16 -","- C640 H480 N80 O128 -","8","1","","Seidel, Rüdiger W.; Goddard, Richard; Oppel, Iris M.","Isomorphous free-base, Ni(ii)- and Cu(ii)-5,10,15,20-tetra(4-hydroxyphenyl)porphyrin nitrobenzene hexasolvates with tetragonal 3D hydrogen-bonded network structures","CrystEngComm","2014","16","45","10505","","10.1039/C4CE01881H","","","1.54178","CuKα","","0.0845","0.0776","","","0.2015","0.2099","","","","","","1.036","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218345","27.3385","0.0007","27.3385","0.0007","18.3255","0.0008","90","","90","","90","","13696.4","0.8","108","2","108","2","","","","","","","","5","P 4 c c","P 4 -2c","103","","5,10,15,20-tetra(4-hydroxyphenyl)porphyrinatonickel(II) nitrobenzene hexasolvate","","- C80 H58 N10 Ni O16 -","- C80 H58 N10 Ni O16 -","- C640 H464 N80 Ni8 O128 -","8","1","","Seidel, Rüdiger W.; Goddard, Richard; Oppel, Iris M.","Isomorphous free-base, Ni(ii)- and Cu(ii)-5,10,15,20-tetra(4-hydroxyphenyl)porphyrin nitrobenzene hexasolvates with tetragonal 3D hydrogen-bonded network structures","CrystEngComm","2014","16","45","10505","","10.1039/C4CE01881H","","","0.71073","MoKα","","0.1655","0.0781","","","0.1737","0.218","","","","","","1.02","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218346","27.3921","0.0007","27.3921","0.0007","18.3185","0.0009","90","","90","","90","","13744.9","0.8","108","2","108","2","","","","","","","","5","P 4 c c","P 4 -2c","103","","5,10,15,20-tetra(4-hydroxyphenyl)porphyrinatocopper(II) nitrobenzene hexasolvate","","- C80 H58 Cu N10 O16 -","- C80 H58 Cu N10 O16 -","- C640 H464 Cu8 N80 O128 -","8","1","","Seidel, Rüdiger W.; Goddard, Richard; Oppel, Iris M.","Isomorphous free-base, Ni(ii)- and Cu(ii)-5,10,15,20-tetra(4-hydroxyphenyl)porphyrin nitrobenzene hexasolvates with tetragonal 3D hydrogen-bonded network structures","CrystEngComm","2014","16","45","10505","","10.1039/C4CE01881H","","","0.71073","MoKα","","0.1366","0.0769","","","0.1768","0.2131","","","","","","1.024","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218354","11.378","0.005","12.184","0.005","23.328","0.005","83.715","0.005","81.99","0.005","70.714","0.005","3015.7","1.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H70 Cu5 Eu2 N20 O95 Si2 W22 -","- C44 H36 Cu5 Eu2 N20 O95 Si2 W22 -","- C44 H36 Cu5 Eu2 N20 O95 Si2 W22 -","1","0.5","","Zhou, Wanli; Zhang, Zheyu; Peng, Jun; Wang, Xiang; Shi, Zhenyu; Li, Guangzhe","A series of hybrids with a framework constructed from {‒SiW11‒Ln‒SiW11‒}nchains and {Cu/bimpy} ribbons","CrystEngComm","2014","16","47","10893","","10.1039/C4CE01409J","","","0.71069","MoKα","","0.0715","0.0511","","","0.1091","0.1312","","","","","","1.046","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218355","11.384","0.005","12.189","0.005","23.331","0.005","83.75","0.005","82.022","0.005","70.697","0.005","3019","1.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H66 Cu5 N20 O93 Si2 Sm2 W22 -","- C44 H36 Cu5 N20 O93 Si2 Sm2 W22 -","- C44 H36 Cu5 N20 O93 Si2 Sm2 W22 -","1","0.5","","Zhou, Wanli; Zhang, Zheyu; Peng, Jun; Wang, Xiang; Shi, Zhenyu; Li, Guangzhe","A series of hybrids with a framework constructed from {‒SiW11‒Ln‒SiW11‒}nchains and {Cu/bimpy} ribbons","CrystEngComm","2014","16","47","10893","","10.1039/C4CE01409J","","","0.71069","MoKα","","0.083","0.0584","","","0.1584","0.185","","","","","","1.017","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218356","11.458","0.0016","12.263","0.0018","24.833","0.004","94.768","0.002","100.812","0.002","114.139","0.002","3077.5","0.8","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H70 Cu5 Ho2 N20 O95 Si2 W22 -","- C44 H36 Cu5 Ho2 N20 O95 Si2 W22 -","- C44 H36 Cu5 Ho2 N20 O95 Si2 W22 -","1","0.5","","Zhou, Wanli; Zhang, Zheyu; Peng, Jun; Wang, Xiang; Shi, Zhenyu; Li, Guangzhe","A series of hybrids with a framework constructed from {‒SiW11‒Ln‒SiW11‒}nchains and {Cu/bimpy} ribbons","CrystEngComm","2014","16","47","10893","","10.1039/C4CE01409J","","","0.71069","MoKα","","0.0904","0.0586","","","0.1436","0.1669","","","","","","1.025","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218357","11.335","0.005","12.152","0.005","23.319","0.005","83.543","0.005","81.741","0.005","71.112","0.005","3000.1","1.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H70 Cu5 N20 O95 Si2 W22 Y2 -","- C44 H36 Cu5 N20 O95 Si2 W22 Y2 -","- C44 H36 Cu5 N20 O95 Si2 W22 Y2 -","1","0.5","","Zhou, Wanli; Zhang, Zheyu; Peng, Jun; Wang, Xiang; Shi, Zhenyu; Li, Guangzhe","A series of hybrids with a framework constructed from {‒SiW11‒Ln‒SiW11‒}nchains and {Cu/bimpy} ribbons","CrystEngComm","2014","16","47","10893","","10.1039/C4CE01409J","","","0.71069","MoKα","","0.0808","0.0506","","","0.1232","0.1439","","","","","","1.057","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218358","11.322","0.005","12.139","0.005","23.311","0.005","83.586","0.005","81.753","0.005","71.169","0.005","2993.6","1.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H68 Ce2 Cu5 N20 O94 Si2 W22 -","- C44 H36 Ce2 Cu5 N20 O94 Si2 W22 -","- C44 H36 Ce2 Cu5 N20 O94 Si2 W22 -","1","0.5","","Zhou, Wanli; Zhang, Zheyu; Peng, Jun; Wang, Xiang; Shi, Zhenyu; Li, Guangzhe","A series of hybrids with a framework constructed from {‒SiW11‒Ln‒SiW11‒}nchains and {Cu/bimpy} ribbons","CrystEngComm","2014","16","47","10893","","10.1039/C4CE01409J","","","0.71069","MoKα","","0.0705","0.0502","","","0.1169","0.1254","","","","","","1.033","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218359","10.765","0.002","11.596","0.003","12.705","0.003","77.594","0.011","65.275","0.011","65.336","0.011","1307.6","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H22 F3 N5 O2 S -","- C27 H22 F3 N5 O2 S -","- C54 H44 F6 N10 O4 S2 -","2","1","","Wang, Xiaojuan; Zhang, Qi; Jiang, Linglei; Xu, Yun; Mei, Xuefeng","Isostructurality in six celecoxib co-crystals introduced by solvent inclusion","CrystEngComm","2014","16","48","10959","","10.1039/C4CE01854K","","","0.71073","MoKα","","0.0855","0.059","","","0.172","0.1915","","","","","","1.056","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218360","9.1324","0.0002","11.6423","0.0003","14.2374","0.0003","92.939","0.002","99.316","0.002","110.239","0.002","1392.12","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H24 F3 N5 O2 S -","- C29 H24 F3 N5 O2 S -","- C58 H48 F6 N10 O4 S2 -","2","1","","Wang, Xiaojuan; Zhang, Qi; Jiang, Linglei; Xu, Yun; Mei, Xuefeng","Isostructurality in six celecoxib co-crystals introduced by solvent inclusion","CrystEngComm","2014","16","48","10959","","10.1039/C4CE01854K","","","0.71073","MoKα","","0.1641","0.0624","","","0.143","0.1832","","","","","","0.96","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218361","7.989","0.0008","11.3277","0.0011","15.7937","0.0015","78.78","0.006","81.807","0.006","83.993","0.006","1383.3","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H26 F3 N5 O2 S -","- C29 H26 F3 N5 O2 S -","- C58 H52 F6 N10 O4 S2 -","2","1","","Wang, Xiaojuan; Zhang, Qi; Jiang, Linglei; Xu, Yun; Mei, Xuefeng","Isostructurality in six celecoxib co-crystals introduced by solvent inclusion","CrystEngComm","2014","16","48","10959","","10.1039/C4CE01854K","","","0.71073","MoKα","","0.0961","0.0626","","","0.1597","0.1813","","","","","","1.013","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218362","21.71","0.004","9.5377","0.0016","27.024","0.005","90","","92.813","0.008","90","","5588.9","1.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H25 F3 N5 O2.5 S -","- C28.5 H25 F3 N5 O2.5 S -","- C228 H200 F24 N40 O20 S8 -","8","1","","Wang, Xiaojuan; Zhang, Qi; Jiang, Linglei; Xu, Yun; Mei, Xuefeng","Isostructurality in six celecoxib co-crystals introduced by solvent inclusion","CrystEngComm","2014","16","48","10959","","10.1039/C4CE01854K","","","0.71073","MoKα","","0.0811","0.0636","","","0.176","0.1955","","","","","","1.04","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218363","21.952","0.004","9.4776","0.0017","27.112","0.004","90","","92.885","0.012","90","","5633.6","1.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H26 F3 N5 O2.5 S -","- C29 H26 F3 N5 O2.5 S -","- C232 H208 F24 N40 O20 S8 -","8","1","","Wang, Xiaojuan; Zhang, Qi; Jiang, Linglei; Xu, Yun; Mei, Xuefeng","Isostructurality in six celecoxib co-crystals introduced by solvent inclusion","CrystEngComm","2014","16","48","10959","","10.1039/C4CE01854K","","","0.71073","MoKα","","0.0996","0.0578","","","0.1318","0.1529","","","","","","1.01","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218364","21.9683","0.0005","9.4685","0.0002","27.2121","0.0006","90","","93.42","0.001","90","","5650.2","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H26 F3 N5 O3 S -","- C29 H26 F3 N5 O3 S -","- C232 H208 F24 N40 O24 S8 -","8","1","","Wang, Xiaojuan; Zhang, Qi; Jiang, Linglei; Xu, Yun; Mei, Xuefeng","Isostructurality in six celecoxib co-crystals introduced by solvent inclusion","CrystEngComm","2014","16","48","10959","","10.1039/C4CE01854K","","","0.71073","MoKα","","0.1109","0.0642","","","0.1725","0.2","","","","","","1.044","","","","has coordinates,has disorder","301864","2025-08-22","15:14:37",""
"7218365","21.3705","0.0011","10.0269","0.0004","27.7028","0.0011","90","","91.927","0.004","90","","5932.8","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30.5 H27 F3 N5 O2.5 S -","- C30.5 H27 F3 N5 O2.5 S -","- C244 H216 F24 N40 O20 S8 -","8","1","","Wang, Xiaojuan; Zhang, Qi; Jiang, Linglei; Xu, Yun; Mei, Xuefeng","Isostructurality in six celecoxib co-crystals introduced by solvent inclusion","CrystEngComm","2014","16","48","10959","","10.1039/C4CE01854K","","","0.71073","MoKα","","0.0839","0.0634","","","0.1728","0.1899","","","","","","1.139","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218366","21.606","0.003","10.0057","0.0016","27.794","0.005","90","","91.919","0.006","90","","6005.2","1.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H28 F3 N5 O2.5 S -","- C31 H28 F3 N5 O2.5 S -","- C248 H224 F24 N40 O20 S8 -","8","1","","Wang, Xiaojuan; Zhang, Qi; Jiang, Linglei; Xu, Yun; Mei, Xuefeng","Isostructurality in six celecoxib co-crystals introduced by solvent inclusion","CrystEngComm","2014","16","48","10959","","10.1039/C4CE01854K","","","0.71073","MoKα","","0.2142","0.0823","","","0.2226","0.2987","","","","","","1.012","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7218367","21.5985","0.0015","9.937","0.0007","28.061","0.002","90","","92.248","0.003","90","","6017.9","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H28 F3 N5 O3 S -","- C31 H28 F3 N5 O3 S -","- C248 H224 F24 N40 O24 S8 -","8","1","","Wang, Xiaojuan; Zhang, Qi; Jiang, Linglei; Xu, Yun; Mei, Xuefeng","Isostructurality in six celecoxib co-crystals introduced by solvent inclusion","CrystEngComm","2014","16","48","10959","","10.1039/C4CE01854K","","","0.71073","MoKα","","0.1288","0.0818","","","0.2448","0.2803","","","","","","1.072","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218368","12.9273","0.0011","9.3874","0.0009","18.211","0.0016","90","","107.861","0.004","90","","2103.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 Br2 Co3 N4 O12 -","- C36 H34 Br2 Co3 N4 O12 -","- C72 H68 Br4 Co6 N8 O24 -","2","0.5","","Xu, Ling; Liu, Bing; Liu, Sheng-Xian; Jiao, Huan; de Castro, Baltazar; Cunha-Silva, Luís","The influence of 1-alkyl-3-methyl imidazolium ionic liquids on a series of cobalt-1,4-benzenedicarboxylate metal‒organic frameworks","CrystEngComm","2014","16","46","10649","","10.1039/C4CE01722F","","","0.71073","MoKα","","0.112","0.0774","","","0.195","0.2066","","","","","","1.006","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218369","12.9773","0.0006","9.4496","0.0004","18.231","0.0009","90","","108.237","0.002","90","","2123.38","0.17","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 Br2 Co3 N4 O12 -","- C38 H38 Br2 Co3 N4 O12 -","- C76 H76 Br4 Co6 N8 O24 -","2","0.5","","Xu, Ling; Liu, Bing; Liu, Sheng-Xian; Jiao, Huan; de Castro, Baltazar; Cunha-Silva, Luís","The influence of 1-alkyl-3-methyl imidazolium ionic liquids on a series of cobalt-1,4-benzenedicarboxylate metal‒organic frameworks","CrystEngComm","2014","16","46","10649","","10.1039/C4CE01722F","","","0.71073","MoKα","","0.0458","0.0321","","","0.0742","0.0822","","","","","","0.952","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218370","13.0822","0.0012","9.7472","0.0008","18.0158","0.0016","90","","108.963","0.003","90","","2172.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 Br2 Co3 N4 O12 -","- C40 H42 Br2 Co3 N4 O12 -","- C80 H84 Br4 Co6 N8 O24 -","2","0.5","","Xu, Ling; Liu, Bing; Liu, Sheng-Xian; Jiao, Huan; de Castro, Baltazar; Cunha-Silva, Luís","The influence of 1-alkyl-3-methyl imidazolium ionic liquids on a series of cobalt-1,4-benzenedicarboxylate metal‒organic frameworks","CrystEngComm","2014","16","46","10649","","10.1039/C4CE01722F","","","0.71073","MoKα","","0.0849","0.0474","","","0.0994","0.1142","","","","","","1.06","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218371","33.093","0.003","9.6403","0.0009","18.513","0.0019","90","","92.954","0.005","90","","5898.3","1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H50 Co3 N4 O16 -","- C50 H50 Co3 N4 O16 -","- C200 H200 Co12 N16 O64 -","4","0.5","","Xu, Ling; Liu, Bing; Liu, Sheng-Xian; Jiao, Huan; de Castro, Baltazar; Cunha-Silva, Luís","The influence of 1-alkyl-3-methyl imidazolium ionic liquids on a series of cobalt-1,4-benzenedicarboxylate metal‒organic frameworks","CrystEngComm","2014","16","46","10649","","10.1039/C4CE01722F","","","0.71073","MoKα","","0.0939","0.068","","","0.1929","0.2061","","","","","","1.007","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218388","8.9605","0.0002","10.9173","0.0003","12.2318","0.0003","90","","102.135","0.002","90","","1169.83","0.05","120","0.14","120","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C10 H16 N3 O P -","- C10 H16 N3 O P -","- C40 H64 N12 O4 P4 -","4","1","","Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav","Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study","CrystEngComm","2014","16","47","10870","","10.1039/C4CE01793E","","x-ray","0.7107","MoKα","","0.0452","0.0334","","","0.0404","0.0411","","","","2.33","2.33","2.15","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218389","9.3055","0.0003","10.8856","0.0003","12.9523","0.0004","90","","93.386","0.002","90","","1309.73","0.07","120","0.14","120","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H20 N3 O P -","- C12 H20 N3 O P -","- C48 H80 N12 O4 P4 -","4","1","","Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav","Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study","CrystEngComm","2014","16","47","10870","","10.1039/C4CE01793E","","x-ray","1.5418","CuKα","","0.0361","0.0303","","","0.0383","0.0391","","","","2.31","2.31","2.19","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218390","10.5318","0.0003","9.1502","0.0003","40.9969","0.001","90","","90","","90","","3950.8","0.2","120","0.1","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H26 N3 O P -","- C22 H26 N3 O P -","- C176 H208 N24 O8 P8 -","8","1","","Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav","Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study","CrystEngComm","2014","16","47","10870","","10.1039/C4CE01793E","","x-ray","1.5418","CuKα","","0.0426","0.0316","","","0.039","0.0399","","","","2.11","2.11","1.93","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218391","36.2225","0.0016","36.2225","0.0016","5.4306","0.0002","90","","90","","90","","7125.3","0.5","120","0.1","120","","","","","","","","","5","I 41/a :1","I 4bw -1bw","88","","","","- C20 H22 N3 O P -","- C20 H22 N3 O P -","- C320 H352 N48 O16 P16 -","16","1","","Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav","Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study","CrystEngComm","2014","16","47","10870","","10.1039/C4CE01793E","","x-ray","1.5418","CuKα","","0.0617","0.0407","","","0.0433","0.046","","","","1.9","1.9","1.73","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218392","9.4194","0.0002","9.5502","0.0002","10.1063","0.0003","106.381","0.002","91.21","0.002","115.19","0.002","778.78","0.04","119.8","0.3","119.8","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H22 Cl2 N3 O2 P Sn0 -","- C10 H22 Cl2 N3 O2 P -","- C20 H44 Cl4 N6 O4 P2 -","2","1","","Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav","Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study","CrystEngComm","2014","16","47","10870","","10.1039/C4CE01793E","","x-ray","0.7107","MoKα","","0.0365","0.0289","","","0.0824","0.0856","","","","1.48","1.48","1.41","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218393","11.3283","0.0003","11.3283","0.0003","14.4747","0.0003","90","","90","","90","","1857.54","0.08","119.8","0.6","119.8","","","","","","","","","6","P 43","P 4cw","78","","","","- C14 H26 Cl2 N3 O2 P -","- C14 H26 Cl2 N3 O2 P -","- C56 H104 Cl8 N12 O8 P4 -","4","1","","Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav","Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study","CrystEngComm","2014","16","47","10870","","10.1039/C4CE01793E","","x-ray","0.7107","MoKα","","0.049","0.0336","","","0.03","0.0316","","","","1.46","1.46","1.4","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218394","13.2836","0.0003","9.9293","0.0002","17.5975","0.0005","90","","109.596","0.002","90","","2186.62","0.09","119.9","0.6","119.9","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H28 Cl2 N3 O2 P -","- C19 H28 Cl2 N3 O2 P -","- C76 H112 Cl8 N12 O8 P4 -","4","1","","Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav","Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study","CrystEngComm","2014","16","47","10870","","10.1039/C4CE01793E","","x-ray","0.7107","MoKα","","0.0453","0.0303","","","0.0332","0.0348","","","","1.88","1.88","1.74","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218395","11.3453","0.0004","12.3967","0.0004","25.1236","0.0008","94.263","0.002","98.121","0.003","116.378","0.003","3096.2","0.2","120","0.14","120","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H32 Cl2 N3 O2 P -","- C35 H32 Cl2 N3 O2 P -","- C140 H128 Cl8 N12 O8 P4 -","4","2","","Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav","Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study","CrystEngComm","2014","16","47","10870","","10.1039/C4CE01793E","","x-ray","1.5418","CuKα","","0.0387","0.0296","","","0.0656","0.0698","","","","1.44","1.44","1.37","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218404","7.1884","0.0002","10.329","0.0003","12.3618","0.0004","90","","90","","90","","917.85","0.05","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- O11 P Rb V2 -","- O11 P Rb V2 -","- O44 P4 Rb4 V8 -","4","1","","Gautier, R.; Auguste, S.; Clevers, S.; Dupray, V.; Coquerel, G.; Le Fur, E.","Influence of the cation size on the second harmonic generation response of chiral A(VO2)2(PO4)·3H2O (A = K+, NH4+and Rb+)","CrystEngComm","2014","16","47","10902","","10.1039/C4CE01847H","","x-ray","0.71069","MoKα","","0.0537","0.0386","","","0.0702","0.0748","","","","","","1.161","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218405","7.1203","0.0001","10.1782","0.0002","12.3477","0.0003","90","","90","","90","","894.86","0.03","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- K O11 P V2 -","- K O11 P V2 -","- K4 O44 P4 V8 -","4","1","","Gautier, R.; Auguste, S.; Clevers, S.; Dupray, V.; Coquerel, G.; Le Fur, E.","Influence of the cation size on the second harmonic generation response of chiral A(VO2)2(PO4)·3H2O (A = K+, NH4+and Rb+)","CrystEngComm","2014","16","47","10902","","10.1039/C4CE01847H","","x-ray","0.71069","MoKα","","0.0292","0.0263","","","0.0679","0.0687","","","","","","1.217","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218410","10.6792","0.0015","9.1741","0.0014","9.0549","0.0012","90","","100.211","0.003","90","","873.1","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-1,4-cyclohexanedimethanol","","- C8 H16 O2 -","- C8 H16 O2 -","- C32 H64 O8 -","4","1","","Rosado, Mário T. S.; Maria, Teresa M. R.; Castro, Ricardo A. E.; Canotilho, João; Silva, Manuela Ramos; Eusébio, M. Ermelinda S.","Molecular structure and polymorphism of a cyclohexanediol: trans-1,4-cyclohexanedimethanol","CrystEngComm","2014","16","48","10977","","10.1039/C4CE01211A","","","0.71073","MoKα","","0.1269","0.0533","","","0.1261","0.1573","","","","","","0.99","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218411","5.1064","0.0004","5.1749","0.0004","16.3054","0.001","88.25","0.005","81.485","0.005","79.662","0.005","419.2","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","trans-1,4-cyclohexanedimethanol","","- C8 H16 O2 -","- C8 H16 O2 -","- C16 H32 O4 -","2","1","","Rosado, Mário T. S.; Maria, Teresa M. R.; Castro, Ricardo A. E.; Canotilho, João; Silva, Manuela Ramos; Eusébio, M. Ermelinda S.","Molecular structure and polymorphism of a cyclohexanediol: trans-1,4-cyclohexanedimethanol","CrystEngComm","2014","16","48","10977","","10.1039/C4CE01211A","","","0.71073","MoKα","","0.1254","0.06","","","0.1756","0.2336","","","","","","0.917","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218446","7.8024","0.0013","15.776","0.003","22.417","0.004","90","","100.022","0.003","90","","2717.2","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N4 O8 Zn -","- C27 H18 N4 O8 Zn -","- C108 H72 N16 O32 Zn4 -","4","1","","Wu, He; Sun, Wujuan; Shi, Ting; Liao, Xuzhao; Zhao, Wenjie; Yang, Xuwu","The various architectures and properties of a series of coordination polymers tuned by the central metals and auxiliary N-donor ligands","CrystEngComm","2014","16","48","11088","","10.1039/C4CE01602E","","","0.71073","MoKα","","0.1071","0.0617","","","0.1639","0.1878","","","","","","1.013","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218447","20.2193","0.0004","6.5716","0.0001","27.935","0.0005","90","","90","","90","","3711.81","0.11","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H12 O9 Zn2 -","- C15 H12 O9 Zn2 -","- C120 H96 O72 Zn16 -","8","1","","Wu, He; Sun, Wujuan; Shi, Ting; Liao, Xuzhao; Zhao, Wenjie; Yang, Xuwu","The various architectures and properties of a series of coordination polymers tuned by the central metals and auxiliary N-donor ligands","CrystEngComm","2014","16","48","11088","","10.1039/C4CE01602E","","","0.71073","MoKα","","0.0647","0.0401","","","0.0972","0.1197","","","","","","1.01","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218448","29.778","0.002","6.6754","0.0005","19.4782","0.0014","90","","113.623","0.001","90","","3547.4","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H23 Cd3 N0 O17 -","- C30 H22 Cd3 O17 -","- C120 H88 Cd12 O68 -","4","0.5","","Wu, He; Sun, Wujuan; Shi, Ting; Liao, Xuzhao; Zhao, Wenjie; Yang, Xuwu","The various architectures and properties of a series of coordination polymers tuned by the central metals and auxiliary N-donor ligands","CrystEngComm","2014","16","48","11088","","10.1039/C4CE01602E","","","0.71073","MoKα","","0.0507","0.037","","","0.1361","0.1484","","","","","","1.055","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218449","10.0131","0.0012","24.639","0.003","13.7618","0.0016","90","","109.151","0.002","90","","3207.3","0.7","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H20 Cd3 N2 O13 -","- C34 H20 Cd3 N2 O13 -","- C136 H80 Cd12 N8 O52 -","4","0.5","","Wu, He; Sun, Wujuan; Shi, Ting; Liao, Xuzhao; Zhao, Wenjie; Yang, Xuwu","The various architectures and properties of a series of coordination polymers tuned by the central metals and auxiliary N-donor ligands","CrystEngComm","2014","16","48","11088","","10.1039/C4CE01602E","","","0.71073","MoKα","","0.089","0.0488","","","0.1064","0.1372","","","","","","1.003","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218450","10.0418","0.0012","9.7038","0.0012","26.051","0.003","90","","95.109","0.002","90","","2528.4","0.5","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C54 H46 Cd3 N8 O18 -","- C54 H46 Cd3 N8 O18 -","- C108 H92 Cd6 N16 O36 -","2","0.5","","Wu, He; Sun, Wujuan; Shi, Ting; Liao, Xuzhao; Zhao, Wenjie; Yang, Xuwu","The various architectures and properties of a series of coordination polymers tuned by the central metals and auxiliary N-donor ligands","CrystEngComm","2014","16","48","11088","","10.1039/C4CE01602E","","","0.71073","MoKα","","0.0893","0.0574","","","0.1065","0.1284","","","","","","1.015","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218452","5.708","0.005","10.8436","0.001","14.131","0.014","96.952","0.019","93.91","0.02","90.07","0.02","866.2","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","2-Bromomandelic Acid","","","- C8 H7 Br O3 -","- C8 H7 Br O3 -","- C32 H28 Br4 O12 -","4","2","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71075","MoKα","","0.107","0.0717","","","0.1576","0.1788","","","","","","1.204","","","","has coordinates,has disorder","301864","2025-08-22","15:14:37",""
"7218453","8.1888","0.0012","10.1998","0.0014","9.2654","0.0012","90","","92.709","0.007","90","","773.02","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 F O3 -","- C8 H7 F O3 -","- C32 H28 F4 O12 -","4","1","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71075","MoKα","","0.0847","0.0602","","","0.1587","0.1743","","","","","","1.061","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218454","5.805","0.003","10.732","0.006","13.969","0.007","96.527","0.013","92.909","0.013","90.058","0.013","863.5","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 I O3 -","- C8 H7 I O3 -","- C32 H28 I4 O12 -","4","2","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71075","MoKα","","0.0799","0.0602","","","0.1284","0.136","","","","","","1.09","","","","has coordinates,has disorder","301864","2025-08-22","15:14:37",""
"7218455","8.833","0.005","9.263","0.005","10.75","0.005","73.23","0.005","81.067","0.005","77.849","0.005","819.1","0.7","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C9 H10 O3 -","- C9 H10 O3 -","- C36 H40 O12 -","4","2","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71073","MoKα","","0.0653","0.0443","","","0.1082","0.1212","","","","","","1.052","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218456","8.8529","0.0007","8.921","0.0006","10.7745","0.0008","90","","90.568","0.006","90","","850.89","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Br O3 -","- C8 H7 Br O3 -","- C32 H28 Br4 O12 -","4","1","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71075","MoKα","","0.0299","0.0264","","","0.0646","0.0678","","","","","","1.064","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218457","8.8285","0.0005","9.3102","0.0007","10.4698","0.0007","92.436","0.008","90.26","0.008","94.119","0.008","857.54","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 Br O3 -","- C8 H7 Br O3 -","- C32 H28 Br4 O12 -","4","2","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","x-ray","0.71075","MoKα","","0.0984","0.0516","","","0.0864","0.1005","","","","","","1.036","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218458","8.6521","0.0015","8.9195","0.0015","10.7309","0.0017","90","","90.9","0.006","90","","828","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Cl O3 -","- C8 H7 Cl O3 -","- C32 H28 Cl4 O12 -","4","1","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71075","MoKα","","0.0964","0.0554","","","0.1217","0.1395","","","","","","1.05","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218459","9.0086","0.0005","9.6372","0.0007","10.5702","0.0007","86.602","0.005","88.612","0.005","85.623","0.004","913.22","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","3-Trifluoromomandelic Acid","","","- C9 H7 F3 O3 -","- C9 H7 F3 O3 -","- C36 H28 F12 O12 -","4","2","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","x-ray","0.71075","MoKα","","0.0692","0.0543","","","0.1263","0.1326","","","","","","1.107","","","","has coordinates,has disorder","301864","2025-08-22","15:14:37",""
"7218460","8.1424","0.0006","10.2396","0.0007","9.3604","0.0006","90","","91.016","0.008","90","","780.3","0.09","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 F O3 -","- C8 H7 F O3 -","- C32 H28 F4 O12 -","4","1","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","x-ray","0.71075","MoKα","","0.1836","0.1026","","","0.2744","0.3223","","","","","","1.08","","","","has coordinates,has disorder","301864","2025-08-22","15:14:37",""
"7218461","6.8488","0.0004","14.1055","0.001","15.0534","0.001","104.634","0.007","94.543","0.007","90.699","0.006","1401.87","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 I O3 -","- C8 H7 I O3 -","- C48 H42 I6 O18 -","6","3","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71075","MoKα","","0.0853","0.0549","","","0.1094","0.12","","","","","","1.045","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218462","8.5713","0.0005","9.3327","0.0007","10.5393","0.0007","92.391","0.006","94.241","0.006","90.556","0.006","839.96","0.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","3-methylmandelic acid","","- C9 H10 O3 -","- C9 H10 O3 -","- C36 H40 O12 -","4","2","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","x-ray","0.71075","MoKα","","0.0798","0.0513","","","0.1175","0.1321","","","","","","1.032","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218463","19.5315","0.0014","9.741","0.0007","9.1389","0.0006","90","","101.132","0.004","90","","1706","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Br O3 -","- C8 H7 Br O3 -","- C64 H56 Br8 O24 -","8","2","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","x-ray","0.71075","MoKα","","0.113","0.0847","","","0.207","0.2205","","","","","","1.161","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218464","4.9711","0.0004","14.9062","0.0012","16.792","0.0013","88.109","0.008","85.871","0.008","84.381","0.009","1234.68","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 Cl O3 -","- C8 H7 Cl O3 -","- C48 H42 Cl6 O18 -","6","3","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","x-ray","0.71075","MoKα","","0.305","0.1238","","","0.2195","0.3039","","","","","","1.01","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218465","9.8173","0.0005","9.692","0.0005","19.9217","0.0014","90","","90","","90","","1895.54","0.19","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H7 F3 O3 -","- C9 H7 F3 O3 -","- C72 H56 F24 O24 -","8","1","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71075","MoKα","","0.1612","0.0832","","","0.1104","0.13","","","","","","1.133","","","","has coordinates,has disorder","301864","2025-08-22","15:14:37",""
"7218466","4.9583","0.0005","10.3607","0.0011","17.675","0.002","76.455","0.005","83.237","0.006","88.779","0.006","876.58","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 I O3 -","- C8 H7 I O3 -","- C32 H28 I4 O12 -","4","2","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71075","MoKα","","0.0852","0.0615","","","0.1576","0.1692","","","","","","1.063","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218467","9.8365","0.0007","9.4215","0.0007","19.239","0.0015","90","","90","","90","","1783","0.2","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C9 H10 O3 -","- C9 H10 O3 -","- C72 H80 O24 -","8","1","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71073","MoKα","","0.192","0.071","","","0.1594","0.2198","","","","","","0.996","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218468","20.805","0.003","15.649","0.003","5.3033","0.0007","90","","90","","90","","1726.6","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C9 H10 O4 -","- C9 H10 O4 -","- C72 H80 O32 -","8","1","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71073","MoKα","","0.1957","0.0767","","","0.1049","0.132","","","","","","0.992","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218469","18.6794","0.0013","5.1376","0.0002","9.214","0.004","90","","103.682","0.012","90","","859.2","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 O4 -","- C9 H10 O4 -","- C36 H40 O16 -","4","1","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71075","MoKα","","0.0433","0.0336","","","0.0916","0.0958","","","","","","1.098","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218470","5.0748","0.001","5.2814","0.001","15.032","0.004","91.142","0.007","92.37","0.007","111.42","0.008","374.47","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 F O3 -","- C8 H7 F O3 -","- C16 H14 F2 O6 -","2","1","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71075","MoKα","","0.0906","0.0616","","","0.155","0.1666","","","","","","1.116","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218480","12.809","0.002","13.372","0.002","7.3552","0.0011","90","","90","","90","","1259.8","0.3","130","2","130","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H17 N5 O6 -","- C8 H17 N5 O6 -","- C32 H68 N20 O24 -","4","1","","Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli","Biguanide and squaric acid as pH-dependent building blocks in crystal engineering","CrystEngComm","2014","16","46","10631","","10.1039/C4CE01643B","","","0.71073","MoKα","","0.0643","0.0459","","","0.0806","0.0856","","","","","","0.91","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218481","7.1418","0.0009","10.6881","0.0013","15.8359","0.0019","90","","92.827","0.002","90","","1207.3","0.3","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H15 N5 O5 -","- C8 H15 N5 O5 -","- C32 H60 N20 O20 -","4","2","","Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli","Biguanide and squaric acid as pH-dependent building blocks in crystal engineering","CrystEngComm","2014","16","46","10631","","10.1039/C4CE01643B","","","0.71073","MoKα","","0.0378","0.0331","","","0.0712","0.0721","","","","","","0.964","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218482","7.576","0.0014","8.3143","0.0015","8.5662","0.0016","63.075","0.002","88.633","0.003","81.063","0.003","474.58","0.15","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H14 N5 O3 -","- C6 H14 N5 O3 -","- C12 H28 N10 O6 -","2","1","","Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli","Biguanide and squaric acid as pH-dependent building blocks in crystal engineering","CrystEngComm","2014","16","46","10631","","10.1039/C4CE01643B","","","0.71073","MoKα","","0.045","0.0376","","","0.0991","0.1022","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218483","13.1608","0.0014","12.6922","0.0014","19.7008","0.0018","90","","120.795","0.002","90","","2826.8","0.5","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H58 N20 O17 -","- C50 H58 N20 O17 -","- C100 H116 N40 O34 -","2","0.5","","Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli","Biguanide and squaric acid as pH-dependent building blocks in crystal engineering","CrystEngComm","2014","16","46","10631","","10.1039/C4CE01643B","","","0.71073","MoKα","","0.0993","0.0473","","","0.0934","0.1012","","","","","","0.927","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7218484","8.9093","0.0016","10.772","0.002","12.425","0.002","71.502","0.003","74.311","0.003","80.732","0.003","1085","0.3","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 N10 O4 -","- C20 H24 N10 O4 -","- C40 H48 N20 O8 -","2","1","","Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli","Biguanide and squaric acid as pH-dependent building blocks in crystal engineering","CrystEngComm","2014","16","46","10631","","10.1039/C4CE01643B","","","0.71073","MoKα","","0.0678","0.0437","","","0.0781","0.086","","","","","","0.923","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218485","8.2558","0.0012","14.578","0.002","13.1414","0.0019","90","","102.833","0.002","90","","1542.1","0.4","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N5 O5 -","- C13 H17 N5 O5 -","- C52 H68 N20 O20 -","4","1","","Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli","Biguanide and squaric acid as pH-dependent building blocks in crystal engineering","CrystEngComm","2014","16","46","10631","","10.1039/C4CE01643B","","","0.71073","MoKα","","0.065","0.0414","","","0.0873","0.0928","","","","","","0.894","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218486","8.0245","0.0007","13.0557","0.0011","22.2369","0.0019","87.683","0.002","82.848","0.002","73.025","0.002","2210.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H17 N5 O5 -","- C13 H17 N5 O5 -","- C78 H102 N30 O30 -","6","3","","Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli","Biguanide and squaric acid as pH-dependent building blocks in crystal engineering","CrystEngComm","2014","16","46","10631","","10.1039/C4CE01643B","","","0.71073","MoKα","","0.0916","0.0535","","","0.0895","0.0995","","","","","","0.953","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218487","11.7133","0.0007","12.8357","0.0007","19.3224","0.0011","90","","90.355","0.001","90","","2905","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 N10 O8 -","- C26 H30 N10 O8 -","- C104 H120 N40 O32 -","4","1","","Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli","Biguanide and squaric acid as pH-dependent building blocks in crystal engineering","CrystEngComm","2014","16","46","10631","","10.1039/C4CE01643B","","","0.71073","MoKα","","0.055","0.0441","","","0.1001","0.1074","","","","","","1.045","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7218488","9.406","0.003","11.576","0.003","11.779","0.003","90","","107.623","0.004","90","","1222.4","0.6","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 N5 O2 -","- C11 H14 N5 O2 -","- C44 H56 N20 O8 -","4","1","","Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli","Biguanide and squaric acid as pH-dependent building blocks in crystal engineering","CrystEngComm","2014","16","46","10631","","10.1039/C4CE01643B","","","0.71073","MoKα","","0.0413","0.0353","","","0.0962","0.0985","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218489","19.965","0.003","6.112","0.001","19.828","0.003","90","","111.194","0.002","90","","2255.9","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Nd2 O17 S2 -","- C14 H14 Nd2 O17 S2 -","- C56 H56 Nd8 O68 S8 -","4","0.5","","Li, Zhao-Hao; Xue, Li-Ping; Shan, Li-Li; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Hydrogen bonded-extended lanthanide coordination polymers decorated with 2,3-thiophenedicarboxylate and oxalate: synthesis, structures, and properties","CrystEngComm","2014","16","47","10824","","10.1039/C4CE01734J","","","0.71073","MoKα","","0.0191","0.0189","","","0.0509","0.0511","","","","","","1.029","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218490","19.746","0.006","6.0662","0.0019","19.785","0.006","90","","111.051","0.003","90","","2211.7","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Eu2 O17 S2 -","- C14 H14 Eu2 O17 S2 -","- C56 H56 Eu8 O68 S8 -","4","0.5","","Li, Zhao-Hao; Xue, Li-Ping; Shan, Li-Li; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Hydrogen bonded-extended lanthanide coordination polymers decorated with 2,3-thiophenedicarboxylate and oxalate: synthesis, structures, and properties","CrystEngComm","2014","16","47","10824","","10.1039/C4CE01734J","","","0.71073","MoKα","","0.0227","0.0225","","","0.0559","0.056","","","","","","1.268","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218491","19.671","0.004","6.0556","0.0013","19.793","0.004","90","","111.098","0.002","90","","2199.7","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Gd2 O17 S2 -","- C14 H14 Gd2 O17 S2 -","- C56 H56 Gd8 O68 S8 -","4","0.5","","Li, Zhao-Hao; Xue, Li-Ping; Shan, Li-Li; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Hydrogen bonded-extended lanthanide coordination polymers decorated with 2,3-thiophenedicarboxylate and oxalate: synthesis, structures, and properties","CrystEngComm","2014","16","47","10824","","10.1039/C4CE01734J","","","0.71073","MoKα","","0.021","0.0206","","","0.0528","0.053","","","","","","1.095","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218492","19.621","0.003","6.0421","0.0009","19.795","0.003","90","","111.09","0.001","90","","2189.5","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 O17 S2 Tb2 -","- C14 H14 O17 S2 Tb2 -","- C56 H56 O68 S8 Tb8 -","4","0.5","","Li, Zhao-Hao; Xue, Li-Ping; Shan, Li-Li; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Hydrogen bonded-extended lanthanide coordination polymers decorated with 2,3-thiophenedicarboxylate and oxalate: synthesis, structures, and properties","CrystEngComm","2014","16","47","10824","","10.1039/C4CE01734J","","","0.71073","MoKα","","0.0225","0.0224","","","0.058","0.058","","","","","","1.155","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218493","19.489","0.005","6.0107","0.0016","19.762","0.005","90","","111.257","0.002","90","","2157.5","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Ho2 O17 S2 -","- C14 H14 Ho2 O17 S2 -","- C56 H56 Ho8 O68 S8 -","4","0.5","","Li, Zhao-Hao; Xue, Li-Ping; Shan, Li-Li; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Hydrogen bonded-extended lanthanide coordination polymers decorated with 2,3-thiophenedicarboxylate and oxalate: synthesis, structures, and properties","CrystEngComm","2014","16","47","10824","","10.1039/C4CE01734J","","","0.71073","MoKα","","0.0221","0.0215","","","0.0531","0.0533","","","","","","1.166","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218498","10.4896","0.0004","12.9381","0.0005","9.9423","0.0003","90","","117.876","0.003","90","","1192.75","0.08","270","2","270","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Br F N O -","- C13 H11 Br F N O -","- C52 H44 Br4 F4 N4 O4 -","4","1","","Stratford, Samuel A.; Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Jones, William","Solid-state photoreactivity of 9-substituted acridizinium bromide salts","CrystEngComm","2014","16","47","10830","","10.1039/C4CE01622J","","","0.71073","MoKα","","0.0643","0.0391","","","0.0988","0.1032","","","","","","1.062","","","","has coordinates,has disorder","301864","2025-08-22","15:14:37",""
"7218499","9.5818","0.0003","11.4519","0.0003","12.5667","0.0004","109.027","0.002","94.23","0.002","105.253","0.002","1238.29","0.07","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10.5 Br Cl N O0.75 -","- C13 H10.5 Br Cl N O0.75 -","- C52 H42 Br4 Cl4 N4 O3 -","4","2","","Stratford, Samuel A.; Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Jones, William","Solid-state photoreactivity of 9-substituted acridizinium bromide salts","CrystEngComm","2014","16","47","10830","","10.1039/C4CE01622J","","","0.71069","MoKα","","0.066","0.0467","","","0.1107","0.1208","","","","","","1.046","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218500","7.3152","0.0006","9.7141","0.0009","10.352","0.002","68.687","0.003","86.209","0.003","68.298","0.004","634.75","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 Br2 N O -","- C13 H11 Br2 N O -","- C26 H22 Br4 N2 O2 -","2","1","","Stratford, Samuel A.; Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Jones, William","Solid-state photoreactivity of 9-substituted acridizinium bromide salts","CrystEngComm","2014","16","47","10830","","10.1039/C4CE01622J","","","0.71073","MoKα","","0.1223","0.0799","","","0.2424","0.2541","","","","","","1.039","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218501","7.5841","0.0006","19.2894","0.0016","9.3211","0.0009","90","","105.886","0.004","90","","1311.5","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Br I N O -","- C13 H11 Br I N O -","- C52 H44 Br4 I4 N4 O4 -","4","1","","Stratford, Samuel A.; Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Jones, William","Solid-state photoreactivity of 9-substituted acridizinium bromide salts","CrystEngComm","2014","16","47","10830","","10.1039/C4CE01622J","","","0.7107","MoKα","","0.0716","0.0477","","","0.1057","0.117","","","","","","1.075","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218502","7.5081","0.0003","10.494","0.0005","11.7322","0.0006","105.219","0.002","105.581","0.002","101.791","0.002","820.76","0.07","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H9 I4 N -","- C13 H9 I4 N -","- C26 H18 I8 N2 -","2","1","","Stratford, Samuel A.; Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Jones, William","Solid-state photoreactivity of 9-substituted acridizinium bromide salts","CrystEngComm","2014","16","47","10830","","10.1039/C4CE01622J","","","0.71073","MoKα","","0.1399","0.1155","","","0.3405","0.3512","","","","","","1.13","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218503","7.799","0.001","9.585","0.002","9.664","0.002","68.967","0.007","70.925","0.006","83.339","0.006","637.3","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Br N O -","- C14 H14 Br N O -","- C28 H28 Br2 N2 O2 -","2","1","","Stratford, Samuel A.; Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Jones, William","Solid-state photoreactivity of 9-substituted acridizinium bromide salts","CrystEngComm","2014","16","47","10830","","10.1039/C4CE01622J","","","0.7107","MoKα","","0.0936","0.0611","","","0.1552","0.1689","","","","","","1.002","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218504","7.7034","0.0007","9.141","0.001","12.257","0.002","88.73","0.006","78.321","0.006","71.486","0.004","800.66","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 Br2 N2 O -","- C34 H38 Br2 N2 O -","- C34 H38 Br2 N2 O -","1","0.5","","Stratford, Samuel A.; Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Jones, William","Solid-state photoreactivity of 9-substituted acridizinium bromide salts","CrystEngComm","2014","16","47","10830","","10.1039/C4CE01622J","","","0.7107","MoKα","","0.0779","0.0586","","","0.1529","0.1666","","","","","","1.134","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218505","18.08801","0.00059","12.04679","0.00049","7.2298","0.00019","90","","90","","90","","1575.39","0.09","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","9-tert-butylacridizinium bromide monohydrate","","","- C17 H20 Br N O -","- C17 H20 Br N O -","- C68 H80 Br4 N4 O4 -","4","1","","Stratford, Samuel A.; Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Jones, William","Solid-state photoreactivity of 9-substituted acridizinium bromide salts","CrystEngComm","2014","16","47","10830","","10.1039/C4CE01622J","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.021","2.552","","","","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218507","9.4202","0.0005","16.8486","0.0006","9.1845","0.0005","90","","97.746","0.006","90","","1444.44","0.12","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(dimethylammonium)(manganese(II)-(benezenetetrasulfonate))(dimethylfornamide)","","","- C16 H32 Mn N4 O14 S4 -","- C16 H32 Mn N4 O14 S4 -","- C32 H64 Mn2 N8 O28 S8 -","2","0.5","","Zitzer, Christina; Muesmann, Thomas W. T.; Christoffers, Jens; Schwickert, Christian; Pöttgen, Rainer; Wickleder, Mathias S.","1,2,4,5-Benzenetetrasulfonic acid and 1,4-benzenedisulfonic acid as sulfo analogues of pyromellitic and terephthalic acids for building coordination polymers of manganese","CrystEngComm","2014","16","48","11064","","10.1039/C4CE01618A","","","0.71073","MoKα","","0.0643","0.0357","","","0.0771","0.0837","","","","","","0.87","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218508","9.317","0.0007","10.4919","0.0007","19.4487","0.0012","90","","113.529","0.003","90","","1743.1","0.2","120","2","120.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(hydroxymethyldihydropyrrolium)(manganese(II)-(benezenetetrasulfonate))(N-methylpyrrolidone)","","","- C26 H40 Mn N4 O16 S4 -","- C26 H34 Mn N4 O16 S4 -","- C52 H68 Mn2 N8 O32 S8 -","2","0.5","","Zitzer, Christina; Muesmann, Thomas W. T.; Christoffers, Jens; Schwickert, Christian; Pöttgen, Rainer; Wickleder, Mathias S.","1,2,4,5-Benzenetetrasulfonic acid and 1,4-benzenedisulfonic acid as sulfo analogues of pyromellitic and terephthalic acids for building coordination polymers of manganese","CrystEngComm","2014","16","48","11064","","10.1039/C4CE01618A","","","0.71073","MoKα","","0.0818","0.0501","","","0.131","0.1484","","","","","","1.029","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218509","5.143","0.0007","9.262","0.0012","9.402","0.0013","93.552","0.008","99.993","0.007","99.237","0.007","433.48","0.1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","(manganese(II)-benzenedisulfonoc acid)(dimethylformamide)","","","- C12 H18 Mn N2 O8 S2 -","- C12 H18 Mn N2 O8 S2 -","- C12 H18 Mn N2 O8 S2 -","1","0.5","","Zitzer, Christina; Muesmann, Thomas W. T.; Christoffers, Jens; Schwickert, Christian; Pöttgen, Rainer; Wickleder, Mathias S.","1,2,4,5-Benzenetetrasulfonic acid and 1,4-benzenedisulfonic acid as sulfo analogues of pyromellitic and terephthalic acids for building coordination polymers of manganese","CrystEngComm","2014","16","48","11064","","10.1039/C4CE01618A","","","0.71073","MoKα","","0.0462","0.029","","","0.0637","0.067","","","","","","0.956","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218510","9.36","0.0004","9.8494","0.0004","10.3475","0.0005","81.606","0.002","88.941","0.002","82.364","0.002","935.35","0.07","120","2","120.15","","","","","","","","","6","P -1","-P 1","2","manganese(II)-benzenedisulfonate-dimethylacetamide","","","- C14 H22 Mn N2 O8 S2 -","- C14 H19.75 Mn N2 O8 S2 -","- C28 H39.5 Mn2 N4 O16 S4 -","2","1","","Zitzer, Christina; Muesmann, Thomas W. T.; Christoffers, Jens; Schwickert, Christian; Pöttgen, Rainer; Wickleder, Mathias S.","1,2,4,5-Benzenetetrasulfonic acid and 1,4-benzenedisulfonic acid as sulfo analogues of pyromellitic and terephthalic acids for building coordination polymers of manganese","CrystEngComm","2014","16","48","11064","","10.1039/C4CE01618A","","","0.71073","MoKα","","0.0504","0.0348","","","0.0939","0.1002","","","","","","1.019","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218511","9.6297","0.0003","9.7676","0.0003","10.3423","0.0003","89.371","0.001","78.839","0.001","87.604","0.002","953.55","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(manganese(II)-benzenedisulfonate)(N-methylpyrrolidone)","","","- C16 H22 Mn N2 O8 S2 -","- C16 H22 Mn N2 O8 S2 -","- C32 H44 Mn2 N4 O16 S4 -","2","1","","Zitzer, Christina; Muesmann, Thomas W. T.; Christoffers, Jens; Schwickert, Christian; Pöttgen, Rainer; Wickleder, Mathias S.","1,2,4,5-Benzenetetrasulfonic acid and 1,4-benzenedisulfonic acid as sulfo analogues of pyromellitic and terephthalic acids for building coordination polymers of manganese","CrystEngComm","2014","16","48","11064","","10.1039/C4CE01618A","","","0.71073","MoKα","","0.0315","0.0244","","","0.0732","0.075","","","","","","1.066","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218512","19.568","0.002","20.952","0.002","23.623","0.003","74.831","0.002","86.481","0.002","64.269","0.002","8405.6","1.6","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C14 H126 As6 Ce4 K14 Li4 N2 O264 W58 -","- C14 H6 As6 Ce4 K14 N2 O246 W58 -","- C14 H6 As6 Ce4 K14 N2 O246 W58 -","1","0.5","","Li, Suzhi; Wang, Yuan; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","From a versatile arsenotungstate precursor to a large lanthanide-containing polyoxometalate‒carboxylate hybrid","CrystEngComm","2014","16","47","10746","","10.1039/C4CE01577K","","","0.71073","MoKα","","0.135","0.0796","","","0.1833","0.2001","","","","","","1.078","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218540","21.293","0.002","7.8312","0.0009","13.9098","0.0016","90","","109.82","0.002","90","","2182.1","0.4","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Moxonidine","4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine","","- C9 H12 Cl N5 O -","- C9 H12 Cl N5 O -","- C72 H96 Cl8 N40 O8 -","8","1","","Babu Nanubolu, Jagadeesh; Sridhar, Balasubramanian; Ravikumar, Krishnan","Understanding the amino ↔ imino tautomeric preference in (imidazole)imidazolidine-N-aryl(alkyl) systems: a case study of moxonidine drug and insights from the Cambridge structural database (CSD)","CrystEngComm","2014","16","46","10602","","10.1039/C4CE01541J","","","0.71073","MoKα","","0.0656","0.064","","","0.148","0.149","","","","","","1.271","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218541","8.5413","0.001","13.2793","0.0015","24.376","0.003","90","","90","","90","","2764.8","0.6","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Moxonidine hydrochloride monohydrate","Moxonidine hydrochloride monohydrate","","- C9 H15 Cl2 N5 O2 -","- C9 H15 Cl2 N5 O2 -","- C72 H120 Cl16 N40 O16 -","8","1","","Babu Nanubolu, Jagadeesh; Sridhar, Balasubramanian; Ravikumar, Krishnan","Understanding the amino ↔ imino tautomeric preference in (imidazole)imidazolidine-N-aryl(alkyl) systems: a case study of moxonidine drug and insights from the Cambridge structural database (CSD)","CrystEngComm","2014","16","46","10602","","10.1039/C4CE01541J","","","0.71073","MoKα","","0.0614","0.0535","","","0.1293","0.1346","","","","","","1.166","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218542","14.639","0.006","17.452","0.007","23.468","0.009","90","","90","","90","","5996","4","223","2","223","2","","","","","","","","6","P c 21 n","P -2n -2ac","33","","","","- C40 H66 Cl N26 Nd O29 -","- C40 H44 Cl N26 Nd O23 -","- C160 H176 Cl4 N104 Nd4 O92 -","4","1","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.0841","0.0587","","","0.1414","0.1525","","","","","","1.011","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218543","14.6418","0.0017","17.407","0.002","23.369","0.003","90","","90","","90","","5956.1","1.2","293","2","293","2","","","","","","","","6","P c 21 n","P -2n -2ac","33","","","","- C40 H66 Cl N26 O29 Sm -","- C40 H44 Cl N26 O23 Sm -","- C160 H176 Cl4 N104 O92 Sm4 -","4","1","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.0536","0.0458","","","0.1248","0.1305","","","","","","1.054","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218544","14.641","0.003","17.416","0.004","23.351","0.005","90","","90","","90","","5954","2","223","2","223","2","","","","","","","","6","P c 21 n","P -2n -2ac","33","","","","- C40 H66 Cl Eu N26 O29 -","- C40 H44 Cl Eu N26 O23 -","- C160 H176 Cl4 Eu4 N104 O92 -","4","1","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.067","0.0541","","","0.1421","0.1515","","","","","","1.019","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218545","35.306","0.005","14.142","0.002","13.4153","0.0019","90","","90","","90","","6698.2","1.6","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H88 Cl Gd N26 O40 -","- C40 H44 Cl Gd N26 O25 -","- C160 H176 Cl4 Gd4 N104 O100 -","4","0.5","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.076","0.0631","","","0.148","0.1542","","","","","","1.109","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218546","35.381","0.003","14.2066","0.0013","13.4355","0.0013","90","","90","","90","","6753.3","1.1","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H88 Cl N26 O40 Tb -","- C40 H44 Cl N26 O25 Tb -","- C160 H176 Cl4 N104 O100 Tb4 -","4","0.5","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.0717","0.0535","","","0.1411","0.1495","","","","","","1.084","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218547","35.375","0.004","14.1652","0.0017","13.4397","0.0016","90","","90","","90","","6734.6","1.4","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H88 Cl Dy N26 O40 -","- C40 H44 Cl Dy N26 O25 -","- C160 H176 Cl4 Dy4 N104 O100 -","4","0.5","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.0729","0.0503","","","0.1349","0.1441","","","","","","1.052","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218548","35.361","0.005","14.168","0.002","13.4332","0.0019","90","","90","","90","","6730","1.6","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H88 Cl Ho N26 O40 -","- C40 H44 Cl Ho N26 O25 -","- C160 H176 Cl4 Ho4 N104 O100 -","4","0.5","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.0794","0.0527","","","0.1438","0.154","","","","","","1.053","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218549","35.37","0.004","14.161","0.0017","13.4086","0.0016","90","","90","","90","","6716","1.4","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H86 Cl Er N26 O39 -","- C40 H44 Cl Er N26 O25 -","- C160 H176 Cl4 Er4 N104 O100 -","4","0.5","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.072","0.0552","","","0.1323","0.1396","","","","","","1.119","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218550","35.285","0.005","14.1423","0.0019","13.3923","0.0018","90","","90","","90","","6682.9","1.6","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H90 Cl N26 O41 Tm -","- C40 H44 Cl N26 O25 Tm -","- C160 H176 Cl4 N104 O100 Tm4 -","4","0.5","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.0818","0.0533","","","0.144","0.1542","","","","","","1.05","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218551","35.396","0.004","14.1853","0.0018","13.4031","0.0017","90","","90","","90","","6729.7","1.4","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H84 Cl N26 O38 Yb -","- C40 H44 Cl N26 O25 Yb -","- C160 H176 Cl4 N104 O100 Yb4 -","4","0.5","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.0665","0.0445","","","0.1268","0.1366","","","","","","1.073","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218552","35.247","0.013","14.129","0.005","13.384","0.005","90","","90","","90","","6665","4","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H86 Cl Lu N26 O39 -","- C40 H44 Cl Lu N26 O25 -","- C160 H176 Cl4 Lu4 N104 O100 -","4","0.5","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.0805","0.0475","","","0.1387","0.1512","","","","","","1.079","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218565","10.331","0.004","7.626","0.003","28.392","0.011","90","","90","","90","","2236.8","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H7 N O2 S2 -","- C12 H7 N O2 S2 -","- C96 H56 N8 O16 S16 -","8","1","","Lin, Zhenghuan; Mei, Xiaofei; Yang, E.; Li, Xiaoju; Yao, Huimei; Wen, Guixiu; Chien, Ching-Ting; Chow, Tahsin J.; Ling, Qidan","Polymorphism-dependent fluorescence of bisthienylmaleimide with different responses to mechanical crushing and grinding pressure","CrystEngComm","2014","16","48","11018","","10.1039/C4CE00963K","","","0.71073","MoKα","","","0.0825","","","0.254","0.2621","","","","","","1.077","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218566","11.228","0.004","5.689","0.002","17.281","0.007","90","","94.745","0.006","90","","1100.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H7 N O2 S2 -","- C12 H7 N O2 S2 -","- C48 H28 N4 O8 S8 -","4","1","","Lin, Zhenghuan; Mei, Xiaofei; Yang, E.; Li, Xiaoju; Yao, Huimei; Wen, Guixiu; Chien, Ching-Ting; Chow, Tahsin J.; Ling, Qidan","Polymorphism-dependent fluorescence of bisthienylmaleimide with different responses to mechanical crushing and grinding pressure","CrystEngComm","2014","16","48","11018","","10.1039/C4CE00963K","","","0.71073","MoKα","","","0.0437","","","0.1191","0.1225","","","","","","1.043","","","","has coordinates","301864","2025-08-22","15:14:37",""
"7218567","12.993","0.006","10.604","0.004","12.69","0.006","90","","116.119","0.007","90","","1569.9","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Cd Cl N7 O6 -","- C10 H6 Cd Cl N7 O6 -","- C40 H24 Cd4 Cl4 N28 O24 -","4","1","","Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Qian, Jin-Jie; Su, Kong-Zhao; Wan, Xiu-Yan; Hong, Mao-Chun","Five novel Zn(ii)/Cd(ii) coordination polymers based on bis(pyrazinyl)-triazole and varied polycarboxylates: syntheses, topologies and photoluminescence","CrystEngComm","2014","16","48","11078","","10.1039/C4CE01959H","","","0.71073","MoKα","","0.0554","0.0406","","","0.1201","0.1539","","","","","","0.992","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218568","16.646","0.009","29.783","0.016","17.274","0.009","90","","90","","90","","8564","8","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C30 H22 Cd4 N14 O14 -","- C30 H22 Cd4 N14 O14 -","- C240 H176 Cd32 N112 O112 -","8","1","","Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Qian, Jin-Jie; Su, Kong-Zhao; Wan, Xiu-Yan; Hong, Mao-Chun","Five novel Zn(ii)/Cd(ii) coordination polymers based on bis(pyrazinyl)-triazole and varied polycarboxylates: syntheses, topologies and photoluminescence","CrystEngComm","2014","16","48","11078","","10.1039/C4CE01959H","","","0.71073","MoKα","","0.0614","0.0578","","","0.1732","0.1795","","","","","","1.081","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218569","25.901","0.006","12.953","0.003","36.822","0.008","90","","110.234","0.003","90","","11591","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H28 Cd4 N21 O14 -","- C50 H27 Cd4 N21 O14 -","- C400 H216 Cd32 N168 O112 -","8","1","","Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Qian, Jin-Jie; Su, Kong-Zhao; Wan, Xiu-Yan; Hong, Mao-Chun","Five novel Zn(ii)/Cd(ii) coordination polymers based on bis(pyrazinyl)-triazole and varied polycarboxylates: syntheses, topologies and photoluminescence","CrystEngComm","2014","16","48","11078","","10.1039/C4CE01959H","","","0.71073","MoKα","","0.0562","0.0407","","","0.121","0.1431","","","","","","1.034","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218570","12.994","","16.0641","0.0001","17.3404","0.0004","114.882","0.006","98.214","0.01","102.015","0.008","3101.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H60 Cd9 N42 O30 -","- C108 H60 Cd9 N42 O30 -","- C108 H60 Cd9 N42 O30 -","1","0.5","","Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Qian, Jin-Jie; Su, Kong-Zhao; Wan, Xiu-Yan; Hong, Mao-Chun","Five novel Zn(ii)/Cd(ii) coordination polymers based on bis(pyrazinyl)-triazole and varied polycarboxylates: syntheses, topologies and photoluminescence","CrystEngComm","2014","16","48","11078","","10.1039/C4CE01959H","","","0.71073","MoKα","","0.0312","0.027","","","0.0827","0.0926","","","","","","1.039","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218571","9.852","0.003","10.626","0.003","14.145","0.005","82.691","0.008","88.688","0.011","72.313","0.008","1399.1","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H9 N7 O19 Zn2 -","- C22 H9 N7 O19 Zn2 -","- C44 H18 N14 O38 Zn4 -","2","1","","Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Qian, Jin-Jie; Su, Kong-Zhao; Wan, Xiu-Yan; Hong, Mao-Chun","Five novel Zn(ii)/Cd(ii) coordination polymers based on bis(pyrazinyl)-triazole and varied polycarboxylates: syntheses, topologies and photoluminescence","CrystEngComm","2014","16","48","11078","","10.1039/C4CE01959H","","","0.71073","MoKα","","0.0368","0.0344","","","0.1002","0.1063","","","","","","1.072","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218597","7.9981","0.0014","15.012","0.003","22.533","0.005","108.53","0.003","99.724","0.003","92.76","0.002","2513.3","0.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H40 B Cl3 F2 N5 O4 S2 -","- C60 H40 B Cl3 F2 N5 O4 S2 -","- C120 H80 B2 Cl6 F4 N10 O8 S4 -","2","1","","Bandi, Venugopal; Gobeze, Habtom B.; Nesterov, Vladimir N.; Karr, Paul A.; D'Souza, Francis","Phenothiazine-azaBODIPY-fullerene supramolecules: syntheses, structural characterization, and photochemical studies.","Physical chemistry chemical physics : PCCP","2014","16","46","25537","25547","10.1039/c4cp03400g","","","0.71073","MoKα","","0.1497","0.0863","","","0.2051","0.2368","","","","","","1.094","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218656","10.6688","0.0003","11.4952","0.0003","12.9734","0.0003","90","","106.722","0.001","90","","1523.78","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Cu N4 O -","- C14 H15 Cu N4 O -","- C56 H60 Cu4 N16 O4 -","4","1","","Hsu, Wayne; Chen, Kuan-Ting; Li, Yu-Sian; Cheng, Po-Wen; Chen, Tsun-Ren; Chen, Jhy-Der","Crystal-to-crystal transformations and photoluminescence changes in the Cu(i) coordination networks based on a formamidinate ligand","CrystEngComm","2014","16","46","10640","","10.1039/C4CE01791A","","","0.71073","MoKα","","0.0458","0.0327","","","0.0843","0.0913","","","","","","1.035","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218657","9.4249","0.0002","14.2699","0.0004","11.4988","0.0003","90","","100.705","0.001","90","","1519.59","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Cu N5 O -","- C14 H16 Cu N5 O -","- C56 H64 Cu4 N20 O4 -","4","1","","Hsu, Wayne; Chen, Kuan-Ting; Li, Yu-Sian; Cheng, Po-Wen; Chen, Tsun-Ren; Chen, Jhy-Der","Crystal-to-crystal transformations and photoluminescence changes in the Cu(i) coordination networks based on a formamidinate ligand","CrystEngComm","2014","16","46","10640","","10.1039/C4CE01791A","","","0.71073","MoKα","","0.0404","0.0341","","","0.0973","0.1021","","","","","","1.077","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218658","10.5252","0.0002","11.1791","0.0002","13.0198","0.0002","90","","106.232","0.001","90","","1470.87","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cu N4 O -","- C15 H17 Cu N4 O -","- C60 H68 Cu4 N16 O4 -","4","1","","Hsu, Wayne; Chen, Kuan-Ting; Li, Yu-Sian; Cheng, Po-Wen; Chen, Tsun-Ren; Chen, Jhy-Der","Crystal-to-crystal transformations and photoluminescence changes in the Cu(i) coordination networks based on a formamidinate ligand","CrystEngComm","2014","16","46","10640","","10.1039/C4CE01791A","","","0.71073","MoKα","","0.0339","0.0281","","","0.0723","0.0757","","","","","","1.054","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218659","20.8634","0.0007","21.3369","0.0008","22.7994","0.0008","90","","98.646","0.002","90","","10034","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H44 Cu4 N16 O2 -","- C46 H36 Cu4 N16 O2 -","- C368 H288 Cu32 N128 O16 -","8","1","","Hsu, Wayne; Chen, Kuan-Ting; Li, Yu-Sian; Cheng, Po-Wen; Chen, Tsun-Ren; Chen, Jhy-Der","Crystal-to-crystal transformations and photoluminescence changes in the Cu(i) coordination networks based on a formamidinate ligand","CrystEngComm","2014","16","46","10640","","10.1039/C4CE01791A","","","0.71073","MoKα","","0.1056","0.0595","","","0.1588","0.1776","","","","","","1.031","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218660","20.8705","0.0003","21.3742","0.0003","22.7059","0.0003","90","","99.182","0.001","90","","9999.1","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H48 Cu4 N16 O2 -","- C48 H42 Cu4 N16 O2 -","- C384 H336 Cu32 N128 O16 -","8","1","","Hsu, Wayne; Chen, Kuan-Ting; Li, Yu-Sian; Cheng, Po-Wen; Chen, Tsun-Ren; Chen, Jhy-Der","Crystal-to-crystal transformations and photoluminescence changes in the Cu(i) coordination networks based on a formamidinate ligand","CrystEngComm","2014","16","46","10640","","10.1039/C4CE01791A","","","0.71073","MoKα","","0.0641","0.0414","","","0.1065","0.1176","","","","","","1.039","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218661","21.0123","0.0005","21.4061","0.0005","22.6642","0.0005","90","","99.495","0.001","90","","10054.5","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H52 Cu4 N16 O2 -","- C52 H48 Cu4 N16 O2 -","- C416 H384 Cu32 N128 O16 -","8","1","","Hsu, Wayne; Chen, Kuan-Ting; Li, Yu-Sian; Cheng, Po-Wen; Chen, Tsun-Ren; Chen, Jhy-Der","Crystal-to-crystal transformations and photoluminescence changes in the Cu(i) coordination networks based on a formamidinate ligand","CrystEngComm","2014","16","46","10640","","10.1039/C4CE01791A","","","0.71073","MoKα","","0.0904","0.0578","","","0.1527","0.1706","","","","","","1.073","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218662","16.2527","0.0009","12.3588","0.0008","17.4471","0.001","90","","114.657","0.003","90","","3185","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 B Cu3 F4 N8 O3 -","- C24 H18 B Cu3 F4 N8 O3 -","- C96 H72 B4 Cu12 F16 N32 O12 -","4","1","","Hsu, Wayne; Chen, Kuan-Ting; Li, Yu-Sian; Cheng, Po-Wen; Chen, Tsun-Ren; Chen, Jhy-Der","Crystal-to-crystal transformations and photoluminescence changes in the Cu(i) coordination networks based on a formamidinate ligand","CrystEngComm","2014","16","46","10640","","10.1039/C4CE01791A","","","0.71073","MoKα","","0.1028","0.0629","","","0.1825","0.209","","","","","","1.044","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218663","16.2717","0.0002","12.6684","0.0002","17.6021","0.0002","90","","112.523","0.001","90","","3351.68","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Cl Cu3 N8 O5 -","- C24 H18 Cl Cu3 N8 O5 -","- C96 H72 Cl4 Cu12 N32 O20 -","4","1","","Hsu, Wayne; Chen, Kuan-Ting; Li, Yu-Sian; Cheng, Po-Wen; Chen, Tsun-Ren; Chen, Jhy-Der","Crystal-to-crystal transformations and photoluminescence changes in the Cu(i) coordination networks based on a formamidinate ligand","CrystEngComm","2014","16","46","10640","","10.1039/C4CE01791A","","","0.71073","MoKα","","0.0641","0.0457","","","0.1423","0.1562","","","","","","1.05","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218664","27.319","0.003","8.7331","0.0007","55.699","0.008","90","","95.685","0.009","90","","13223","3","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Hexamethylenetetramine 5,10,15,20-tetra(perfluoro-4'-iodophenyl)porphyrin","","- C50 H22 F16 I4 N8 -","- C50 H22 F16 I4 N8 -","- C400 H176 F128 I32 N64 -","8","2","","Syssa-Magalé, Jean-Laurent; Boubekeur, Kamal; Leroy, Jacques; Chamoreau, Lise-Marie; Fave, Claire; Schöllhorn, Bernd","Directed synthesis of a halogen-bonded open porphyrin network","CrystEngComm","2014","16","45","10380","","10.1039/C4CE01704H","","","0.71073","MoKα","","0.1201","0.0565","","","0.0818","0.1058","","","","","","0.992","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218665","5.8849","0.0013","24.903","0.003","6.2247","0.0008","90","","98.864","0.011","90","","901.3","0.3","250","2","250","2","","","","","","","","5","P 1 m 1","P -2y","6","","Hexamethylenetetramine 1,3,5-Trifluoro-2,4,6-tri-iodobenzene","","- C12 H12 F3 I3 N4 -","- C12 H12 F3 I3 N4 -","- C24 H24 F6 I6 N8 -","2","1","","Syssa-Magalé, Jean-Laurent; Boubekeur, Kamal; Leroy, Jacques; Chamoreau, Lise-Marie; Fave, Claire; Schöllhorn, Bernd","Directed synthesis of a halogen-bonded open porphyrin network","CrystEngComm","2014","16","45","10380","","10.1039/C4CE01704H","","","0.71073","MoKα","","0.0337","0.0292","","","0.0683","0.0699","","","","","","1.043","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218666","6.2751","0.0003","23.2198","0.0011","11.8609","0.0006","90","","103.297","0.005","90","","1681.88","0.15","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,4-Diazabicyclo(2.2.2)octane 1,3,5-Trifluoro-2,4,6-tri-iodobenzene","","- C12 H12 F3 I3 N2 -","- C12 H12 F3 I3 N2 -","- C48 H48 F12 I12 N8 -","4","1","","Syssa-Magalé, Jean-Laurent; Boubekeur, Kamal; Leroy, Jacques; Chamoreau, Lise-Marie; Fave, Claire; Schöllhorn, Bernd","Directed synthesis of a halogen-bonded open porphyrin network","CrystEngComm","2014","16","45","10380","","10.1039/C4CE01704H","","","0.71073","MoKα","","0.0576","0.0342","","","0.0784","0.0972","","","","","","1.089","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218667","4.114","0.0008","9.071","0.0009","24.104","0.005","90","","91.621","0.019","90","","899.2","0.3","250","2","250","2","","","","","","","","5","P 1 n 1","P -2yac","7","","1,3,5-Trifluoro-2,4,6-tri-iodobenzene 4,4'-bipyridine","","- C16 H8 F3 I3 N2 -","- C16 H8 F3 I3 N2 -","- C32 H16 F6 I6 N4 -","2","1","","Syssa-Magalé, Jean-Laurent; Boubekeur, Kamal; Leroy, Jacques; Chamoreau, Lise-Marie; Fave, Claire; Schöllhorn, Bernd","Directed synthesis of a halogen-bonded open porphyrin network","CrystEngComm","2014","16","45","10380","","10.1039/C4CE01704H","","","0.71073","MoKα","","0.0725","0.0566","","","0.1403","0.1488","","","","","","1.07","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218668","6.8359","0.0004","10.9401","0.0006","11.4732","0.0007","107.204","0.005","92.82","0.006","105.33","0.004","782.88","0.09","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","1,4-Diazabicyclo(2.2.2)octane tetrafluoro-1,4-diiodobenzene","","- C12 H12 F4 I2 N2 -","- C12 H12 F4 I2 N2 -","- C24 H24 F8 I4 N4 -","2","1","","Syssa-Magalé, Jean-Laurent; Boubekeur, Kamal; Leroy, Jacques; Chamoreau, Lise-Marie; Fave, Claire; Schöllhorn, Bernd","Directed synthesis of a halogen-bonded open porphyrin network","CrystEngComm","2014","16","45","10380","","10.1039/C4CE01704H","","","0.71073","MoKα","","0.068","0.0337","","","0.0667","0.0756","","","","","","0.99","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218669","14.6834","0.0014","14.9015","0.0014","20.0367","0.0018","90","","107.315","0.001","90","","4185.4","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H90 Ag15 F6 N3 O4 -","- C67 H90 Ag15 F6 N3 O4 -","- C134 H180 Ag30 F12 N6 O8 -","2","0.5","","Zhou, Kun; Qin, Chao; Wang, Xin-Long; Yan, Li-Kai; Shao, Kui-Zhan; Su, Zhong-Min","Ag(i)-mediated formation of a 2D cyano-bridged multinuclear silver(i) alkynyl network coupled with the C‒C bond cleavage of acetonitrile","CrystEngComm","2014","16","45","10376","","10.1039/C4CE01707B","","","0.71073","MoKα","","0.0991","0.0553","","","0.1356","0.1572","","","","","","1.028","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218670","9.733","0.004","9.733","0.004","74.51","0.02","90","","90","","90","","7058","5","333","2","333","2","","","","","","","","6","I 41/a :2","-I 4ad","88","bis(ethylenedithio)tetrathiafulvalenium_tetrabromomanganate(II)_dichlorobenzene_(4/1/1)","","","- C46 H36 Br4 Cl2 Mn S32 -","- C46 H36 Br4 Cl2 Mn S32 -","- C184 H144 Br16 Cl8 Mn4 S128 -","4","0.25","","Zhilyaeva, Elena I.; Shilov, Gennadii V.; Torunova, Svetlana A.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergey I.; Aldoshin, Sergey M.; Lyubovskaya, Rimma N.","Phase transitions in θ-(ET)4MnBr4(C6H6−nCln) (n = 1, 2) driven by ordering in anion and/or cation layers","CrystEngComm","2014","16","43","10103","","10.1039/C4CE01440E","","","0.71073","MoKα","","0.2577","0.0474","","","0.0767","0.0875","","","","","","0.935","","","","has coordinates,has disorder","288536","2023-12-24","00:28:32",""
"7218671","9.401","0.004","9.981","0.004","74.39","0.04","91.03","0.04","89.57","0.04","89.71","0.04","6979","6","260","2","260","2","","","","","","","","6","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","bis(ethylenedithio)tetrathiafulvalenium_tetrabromomanganate(II)_dichlorobenzene_(4/1/1)","","","- C46 H36 Br4 Cl2 Mn S32 -","- C46 H36 Br4 Cl2 Mn S32 -","- C184 H144 Br16 Cl8 Mn4 S128 -","4","","","Zhilyaeva, Elena I.; Shilov, Gennadii V.; Torunova, Svetlana A.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergey I.; Aldoshin, Sergey M.; Lyubovskaya, Rimma N.","Phase transitions in θ-(ET)4MnBr4(C6H6−nCln) (n = 1, 2) driven by ordering in anion and/or cation layers","CrystEngComm","2014","16","43","10103","","10.1039/C4CE01440E","","","0.71073","MoKα","","0.2171","0.0523","","","0.0871","0.0992","","","","","","0.995","","","","has coordinates","288536","2023-12-24","00:28:33",""
"7218672","9.6621","0.0002","9.6621","0.0002","74.3763","0.0015","90","","90","","90","","6943.5","0.2","260","2","260","2","","","","","","","","6","I 41/a :2","-I 4ad","88","bis(ethylenedithio)tetrathiafulvalenium_tetrabromomanganate(II)_chlorobenzene_(4/1/1)","","","- C46 H37 Br4 Cl Mn S32 -","- C46 H37 Br4 Cl Mn S32 -","- C184 H148 Br16 Cl4 Mn4 S128 -","4","0.25","","Zhilyaeva, Elena I.; Shilov, Gennadii V.; Torunova, Svetlana A.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergey I.; Aldoshin, Sergey M.; Lyubovskaya, Rimma N.","Phase transitions in θ-(ET)4MnBr4(C6H6−nCln) (n = 1, 2) driven by ordering in anion and/or cation layers","CrystEngComm","2014","16","43","10103","","10.1039/C4CE01440E","","","0.71073","MoKα","","0.0769","0.0497","","","0.1294","0.1581","","","","","","0.925","","","","has coordinates,has disorder","288536","2023-12-24","00:28:33",""
"7218673","9.5178","0.0009","74.375","0.005","9.7697","0.0011","90","","90.326","0.01","90","","6915.7","1.1","220","2","220","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","bis(ethylenedithio)tetrathiafulvalenium_tetrabromomanganate (II)_chlorobenzene_(4/1/1)","","","- C46 H37 Br4 Cl Mn S32 -","- C46 H37 Br4 Cl Mn S32 -","- C184 H148 Br16 Cl4 Mn4 S128 -","4","0.5","","Zhilyaeva, Elena I.; Shilov, Gennadii V.; Torunova, Svetlana A.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergey I.; Aldoshin, Sergey M.; Lyubovskaya, Rimma N.","Phase transitions in θ-(ET)4MnBr4(C6H6−nCln) (n = 1, 2) driven by ordering in anion and/or cation layers","CrystEngComm","2014","16","43","10103","","10.1039/C4CE01440E","","","0.71073","MoKα","","0.1534","0.1108","","","0.276","0.3274","","","","","","1.043","","","","has coordinates,has disorder","288536","2023-12-24","00:28:33",""
"7218680","9.4847","0.0002","16.2433","0.0003","16.9867","0.0003","97.456","0.001","101.802","0.002","102.069","0.002","2464.05","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H37.33 Cl5 Co N6 O3.67 -","- C14 H37.33 Cl5 Co N6 O3.665 -","- C56 H149.32 Cl20 Co4 N24 O14.66 -","4","2","","Ling, Irene; Sobolev, Alexandre N.; Hashim, Rauzah; Harrowfield, Jack M.","Stereochemistry of cage amine complexes ‒ probing the ligand conformational flexibility with hydrogen bonds","CrystEngComm","2014","16","48","11058","","10.1039/C4CE01980F","","","0.71073","MoKα","","0.0337","0.0286","","","0.0727","0.0755","","","","","","1.004","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218681","9.7649","0.0004","27.6067","0.0008","9.5645","0.0004","90","","117.183","0.005","90","","2293.59","0.18","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H70 Br Cl9 Co2 N12 O5 -","- C28 H70 Br Cl9 Co2 N12 O5 -","- C56 H140 Br2 Cl18 Co4 N24 O10 -","2","0.5","","Ling, Irene; Sobolev, Alexandre N.; Hashim, Rauzah; Harrowfield, Jack M.","Stereochemistry of cage amine complexes ‒ probing the ligand conformational flexibility with hydrogen bonds","CrystEngComm","2014","16","48","11058","","10.1039/C4CE01980F","","","0.71073","MoKα","","0.0873","0.0543","","","0.1532","0.1622","","","","","","1.019","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218682","8.9691","0.0001","15.3233","0.0002","16.3516","0.0002","90","","90","","90","","2247.3","0.05","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H35 Cl3 Co N7 O5 -","- C14 H35 Cl3 Co N7 O5 -","- C56 H140 Cl12 Co4 N28 O20 -","4","1","","Ling, Irene; Sobolev, Alexandre N.; Hashim, Rauzah; Harrowfield, Jack M.","Stereochemistry of cage amine complexes – probing the ligand conformational flexibility with hydrogen bonds","CrystEngComm","2014","16","48","11058","","10.1039/C4CE01980F","","","0.71073","MoKα","","0.0345","0.0326","","","0.0872","0.0884","","","","","","1.005","","","","has coordinates","301864","2025-08-22","15:14:38",""
"7218686","11.1","0.002","11.164","0.002","13.061","0.002","90.629","0.01","91.51","0.01","111.09","0.02","1509.2","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H40 Cl Er N8 O20 -","- C12 H38 Cl Er N8 O20 -","- C24 H76 Cl2 Er2 N16 O40 -","2","1","","Janicki, Rafał; Mondry, Anna","A new approach to determination of hydration equilibria constants for the case of [Er(EDTA)(H2O)n](-) complexes.","Physical chemistry chemical physics : PCCP","2014","16","48","26823","26831","10.1039/c4cp04093g","","","0.7107","MoKα","","0.018","0.0169","","","0.0495","0.0497","","","","","","1.534","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7221393","6.84","","4.56","","16.51999","","90","","97","","90","","511.424","","","","","","","","","","","","","3","A 1 2/a 1","-A 2ya","15","","S3 N2 O2","","- N2 O2 S3 -","- N2 O2 S3 -","- N8 O8 S12 -","4","0.5","","Weiss, J.","Die Kristall- und Molekuelstruktur von Trischwefel Distickstoffdioxyd, S3 N2 O2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1961","16","","477","477","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221399","5.377","","5.3437","","7.578","","90","","90","","90","","217.739","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Pr Co O3","","- Co O3 Pr -","- Co O3 Pr -","- Co4 O12 Pr4 -","4","0.5","","Alonso, J.A.; Martinez-Lope, M.J.; Pomjakushin, V.; de la Calle, C.","Preparation and structural study from neutron diffraction data of R Co O3 (R = Pr, Tb, Dy, Ho, Er, Tm, Yb, Lu) perovskites","Journal of Materials Chemistry","2006","16","","1555","1560","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221400","5.20213","","5.39826","","7.42412","","90","","90","","90","","208.487","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Tb Co O3","","- Co O3 Tb -","- Co O3 Tb -","- Co4 O12 Tb4 -","4","0.5","","Alonso, J.A.; Pomjakushin, V.; de la Calle, C.; Martinez-Lope, M.J.","Preparation and structural study from neutron diffraction data of R Co O3 (R = Pr, Tb, Dy, Ho, Er, Tm, Yb, Lu) perovskites","Journal of Materials Chemistry","2006","16","","1555","1560","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221401","5.16983","","5.4104","","7.397","","90","","90","","90","","206.9","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Dy Co O3","","- Co Dy O3 -","- Co Dy O3 -","- Co4 Dy4 O12 -","4","0.5","","Alonso, J.A.; Martinez-Lope, M.J.; Pomjakushin, V.; de la Calle, C.","Preparation and structural study from neutron diffraction data of R Co O3 (R = Pr, Tb, Dy, Ho, Er, Tm, Yb, Lu) perovskites","Journal of Materials Chemistry","2006","16","","1555","1560","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221402","5.1437","","5.4159","","7.3751","","90","","90","","90","","205.454","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Ho Co O3","","- Co Ho O3 -","- Co Ho O3 -","- Co4 Ho4 O12 -","4","0.5","","Alonso, J.A.; Pomjakushin, V.; Martinez-Lope, M.J.; de la Calle, C.","Preparation and structural study from neutron diffraction data of R Co O3 (R = Pr, Tb, Dy, Ho, Er, Tm, Yb, Lu) perovskites","Journal of Materials Chemistry","2006","16","","1555","1560","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221403","5.1212","","5.4191","","7.3519","","90","","90","","90","","204.032","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Er Co O3","","- Co Er O3 -","- Co Er O3 -","- Co4 Er4 O12 -","4","0.5","","Alonso, J.A.; de la Calle, C.; Martinez-Lope, M.J.; Pomjakushin, V.","Preparation and structural study from neutron diffraction data of R Co O3 (R = Pr, Tb, Dy, Ho, Er, Tm, Yb, Lu) perovskites","Journal of Materials Chemistry","2006","16","","1555","1560","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221404","5.1049","","5.4135","","7.3282","","90","","90","","90","","202.518","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Tm Co O3","","- Co O3 Tm -","- Co O3 Tm -","- Co4 O12 Tm4 -","4","0.5","","Alonso, J.A.; Pomjakushin, V.; Martinez-Lope, M.J.; de la Calle, C.","Preparation and structural study from neutron diffraction data of R Co O3 (R = Pr, Tb, Dy, Ho, Er, Tm, Yb, Lu) perovskites","Journal of Materials Chemistry","2006","16","","1555","1560","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221405","5.086","","5.4147","","7.3071","","90","","90","","90","","201.231","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Yb Co O3","","- Co O3 Yb -","- Co O3 Yb -","- Co4 O12 Yb4 -","4","0.5","","Alonso, J.A.; Martinez-Lope, M.J.; de la Calle, C.; Pomjakushin, V.","Preparation and structural study from neutron diffraction data of R Co O3 (R = Pr, Tb, Dy, Ho, Er, Tm, Yb, Lu) perovskites","Journal of Materials Chemistry","2006","16","","1555","1560","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221406","5.0667","","5.41565","","7.29356","","90","","90","","90","","200.131","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Lu Co O3","","- Co Lu O3 -","- Co Lu O3 -","- Co4 Lu4 O12 -","4","0.5","","Alonso, J.A.; Martinez-Lope, M.J.; de la Calle, C.; Pomjakushin, V.","Preparation and structural study from neutron diffraction data of R Co O3 (R = Pr, Tb, Dy, Ho, Er, Tm, Yb, Lu) perovskites","Journal of Materials Chemistry","2006","16","","1555","1560","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221407","5.55902","","5.55902","","7.885","","90","","90","","90","","243.668","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Sr2 Fe1.47 Te0.53 O6","","- Fe1.47 O6 Sr2 Te0.53 -","- Fe1.47 O6 Sr2 Te0.53 -","- Fe2.94 O12 Sr4 Te1.06 -","2","0.125","","Augsburger, M.S.; Viola, M.C.; Pedregosa, J.C.; Carbonio, R.E.; Alonso, J.A.","Crystal structure and magnetism of the double perovskites Sr3 Fe2 Te O9 and Ba3 Fe2 Te O9: a neutron diffraction study","Journal of Materials Chemistry","2006","16","","4235","4242","","","","","","","","","","","","","","","","","","","","","","has coordinates","150362","2020-10-21","18:00:00",""
"7221408","5.767","","5.767","","14.1998","","90","","90","","120","","408.99","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba3 (Fe1.99 Te1.01) O9","","- Ba3 Fe1.99 O9 Te1.01 -","- Ba3 Fe1.99 O9 Te1.01 -","- Ba6 Fe3.98 O18 Te2.02 -","2","0.0833333","","Augsburger, M.S.; Viola, M.C.; Pedregosa, J.C.; Carbonio, R.E.; Alonso, J.A.","Crystal structure and magnetism of the double perovskites Sr3 Fe2 Te O9 and Ba3 Fe2 Te O9: a neutron diffraction study","Journal of Materials Chemistry","2006","16","","4235","4242","","","","","","","","","","","","","","","","","","","","","","has coordinates","150363","2020-10-21","18:00:00",""
"7221481","5.567712","","5.567712","","22.01526","","90","","90","","120","","591.028","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","La5 Zn0.5 Ti3.5 O15","","- La5 O15 Ti3.5 Zn0.5 -","- La5 O15 Ti3.5 Zn0.5 -","- La10 O30 Ti7 Zn -","2","0.166667","","Kuang, X.; Allix, M.M.B.; Rosseinsky, M.J.; Niu, H.J.; Claridge, J.B.; Iddles, D.M.; Ibberson, R.M.","Crstal structure, microwave dielectric properties and AC conductivity of B-cation hexagonal perovskites La5 M(x) Ti(4-x) O15 (x = 0.5, 1; M = Zn, Mg, Ga, Al)","Journal of Materials Chemistry","2006","16","","1038","1045","","","","","","","","","","","","","","","","","","","","","","has coordinates","151170","2020-10-21","18:00:00",""
"7221482","5.563013","","5.563013","","21.98238","","90","","90","","120","","589.149","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","La5 Mg0.5 Ti3.5 O15","","- La5 Mg0.5 O15 Ti3.5 -","- La5 Mg0.5 O15 Ti3.5 -","- La10 Mg O30 Ti7 -","2","0.166667","","Kuang, X.; Allix, M.M.B.; Claridge, J.B.; Ibberson, R.M.; Rosseinsky, M.J.; Niu, H.J.; Iddles, D.M.","Crstal structure, microwave dielectric properties and AC conductivity of B-cation hexagonal perovskites La5 M(x) Ti(4-x) O15 (x = 0.5, 1; M = Zn, Mg, Ga, Al)","Journal of Materials Chemistry","2006","16","","1038","1045","","","","","","","","","","","","","","","","","","","","","","has coordinates","151171","2020-10-21","18:00:00",""
"7221483","5.545747","","5.545747","","21.95905","","90","","90","","120","","584.877","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","La5 Ga Ti3 O15","","- Ga La5 O15 Ti3 -","- Ga1.006 La5 O15 Ti3 -","- Ga2.012 La10 O30 Ti6 -","2","0.166667","","Kuang, X.; Niu, H.J.; Allix, M.M.B.; Claridge, J.B.; Rosseinsky, M.J.; Iddles, D.M.; Ibberson, R.M.","Crstal structure, microwave dielectric properties and AC conductivity of B-cation hexagonal perovskites La5 M(x) Ti(4-x) O15 (x = 0.5, 1; M = Zn, Mg, Ga, Al)","Journal of Materials Chemistry","2006","16","","1038","1045","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221484","5.519616","","5.519616","","21.97003","","90","","90","","120","","579.668","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","La5 Al Ti3 O15","","- Al La5 O15 Ti3 -","- Al La5 O15 Ti3 -","- Al2 La10 O30 Ti6 -","2","0.166667","","Kuang, X.; Allix, M.M.B.; Iddles, D.M.; Claridge, J.B.; Niu, H.J.; Rosseinsky, M.J.; Ibberson, R.M.","Crystal structure, microwave dielectric properties and AC conductivity of B-cation hexagonal perovskites La5 M(x) Ti(4-x) O15 (x = 0.5, 1; M = Zn, Mg, Ga, Al)","Journal of Materials Chemistry","2006","16","","1038","1045","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221496","3.85","","3.85","","26.7861","","90","","90","","90","","397.037","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Li1.8 (V O) La2 Ti3 O10","","- La2 O10 Ti3 V -","- La2 O10 Ti3 V -","- La4 O20 Ti6 V2 -","2","0.0625","","Neiner, D.; Sweany, R.L.; Golub, V.; Wiley, J.B.","Structure and properties of mixed valence titanates, (Li(x) V O) La2 Ti3 O10","Journal of Materials Chemistry","2006","16","","186","191","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221623","17.323748","0.00007","17.323748","0.00007","7.000171","0.000036","90","","90","","120","","1819.38","0.014","300","","300","","","","","","","","","4","R -3 :H","-R 3","148","","","Ca2Al3O6F","- Al6 Ca4 F2 O12 -","- Al6 Ca4 F2.0001 O12 -","- Al36 Ca24 F12.0006 O72 -","6","0.333333","","Zhiguo, Xia; Molokeev, Maxim; Oreshonkov, Alexander; Atuchin, Victor; Ru-Shi, Liu; Cheng, Dong","Crystal and local structure refinement in Ca2Al3O6F explored by X-ray diffraction and Raman spectroscopy","Physical Chemistry Chemical Physics","2014","16","13","5952","","10.1039/C3CP53816H","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.445","3.885","","","1.971","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"7235394","8.152","0.002","20.538","0.005","12.736","0.003","90","","93.44","0.02","90","","2128.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H46 Cu3 N10 O20 -","- C34 H46 Cu3 N10 O20 -","- C68 H92 Cu6 N20 O40 -","2","0.5","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Bauzá, Antonio; Zarghami, Sara; Ballester, Pablo; Mague, Joel T.; Frontera, Antonio","On the importance of non covalent interactions in the structure of coordination Cu(ii) and Co(ii) complexes of pyrazine- and pyridine-dicarboxylic acid derivatives: experimental and theoretical views","CrystEngComm","2014","16","27","6149","","10.1039/C4CE00003J","","","0.71073","MoKα","","0.0594","0.0351","","","0.0903","0.1002","","","","","","1.019","","","","has coordinates","232757","2020-10-21","18:00:00",""
"7235395","11.986","0.002","7.6602","0.0014","15.75","0.003","90","","94.123","0.003","90","","1442.3","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Cu N4 O7 -","- C12 H14 Cu N4 O7 -","- C48 H56 Cu4 N16 O28 -","4","1","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Bauzá, Antonio; Zarghami, Sara; Ballester, Pablo; Mague, Joel T.; Frontera, Antonio","On the importance of non covalent interactions in the structure of coordination Cu(ii) and Co(ii) complexes of pyrazine- and pyridine-dicarboxylic acid derivatives: experimental and theoretical views","CrystEngComm","2014","16","27","6149","","10.1039/C4CE00003J","","","0.71073","MoKα","","0.0352","0.0305","","","0.081","0.0847","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235396","12.5445","0.0004","7.3874","0.0003","11.8763","0.0006","90","","111.118","0.001","90","","1026.68","0.07","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H10 Co N2 O8 -","- C6 H10 Co N2 O8 -","- C24 H40 Co4 N8 O32 -","4","0.5","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Bauzá, Antonio; Zarghami, Sara; Ballester, Pablo; Mague, Joel T.; Frontera, Antonio","On the importance of non covalent interactions in the structure of coordination Cu(ii) and Co(ii) complexes of pyrazine- and pyridine-dicarboxylic acid derivatives: experimental and theoretical views","CrystEngComm","2014","16","27","6149","","10.1039/C4CE00003J","","","1.54178","Cu","","0.0201","0.0198","","","0.0548","0.0551","","","","","","1.091","","","","has coordinates","232757","2020-10-21","18:00:00",""
"7235397","8.3425","0.0005","27.164","0.0017","9.5946","0.0006","90","","98.111","0.002","90","","2152.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Cu2 N2 O15 -","- C14 H20 Cu2 N2 O15 -","- C56 H80 Cu8 N8 O60 -","4","1","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Bauzá, Antonio; Zarghami, Sara; Ballester, Pablo; Mague, Joel T.; Frontera, Antonio","On the importance of non covalent interactions in the structure of coordination Cu(ii) and Co(ii) complexes of pyrazine- and pyridine-dicarboxylic acid derivatives: experimental and theoretical views","CrystEngComm","2014","16","27","6149","","10.1039/C4CE00003J","","","0.71073","MoKα","","0.0426","0.04","","","0.1237","0.1253","","","","","","1.171","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235398","13.1423","0.0003","8.5766","0.0002","15.1489","0.0003","90","","101.323","0.001","90","","1674.29","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 Cd N2 O5 -","- C21 H13 Cd N2 O5 -","- C84 H52 Cd4 N8 O20 -","4","1","","Zhang, Xiao-jing; Li, Jian-qiang; Liu, Shu-juan; Luo, Ming-biao; Xu, Wen-yuan; Luo, Feng","An unprecedented (4,8)-connected net featuring gsp2 topology and containing an exceptional coordination mode of acylamide ligand","CrystEngComm","2014","16","24","5216","","10.1039/c4ce00146j","","","0.71073","MoKα","","0.0277","0.0247","","","0.0646","0.0671","","","","","","1.102","","","","has coordinates","232759","2020-10-21","18:00:00",""
"7235399","8.6936","0.0008","11.192","0.0011","16.621","0.0016","92.087","0.001","105.046","0.001","95.751","0.001","1550.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Cr N5 O17 -","- C26 H28 Cr N5 O17 -","- C52 H56 Cr2 N10 O34 -","2","1","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Karrabi, Zahra; Molčanov, Krešimir; Eydizadeh, Ehsan; Mague, Joel T.; Bauzá, Antonio; Frontera, Antonio","Crystal engineering with coordination compounds of NiII, CoII, and CrIII bearing dipicolinic acid driven by the nature of the noncovalent interactions","CrystEngComm","2014","16","24","5352","","10.1039/c4ce00325j","","","0.71073","MoKα","","0.0401","0.0371","","","0.0978","0.1008","","","","","","1.063","","","","has coordinates,has disorder","301866","2025-08-22","21:38:30",""
"7235400","13.402","0.0002","10.0271","0.0001","19.8799","0.0003","90","","108.994","0.002","90","","2526.07","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 Cr N3 O10 -","- C27 H20 Cr N3 O10 -","- C108 H80 Cr4 N12 O40 -","4","1","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Karrabi, Zahra; Molčanov, Krešimir; Eydizadeh, Ehsan; Mague, Joel T.; Bauzá, Antonio; Frontera, Antonio","Crystal engineering with coordination compounds of NiII, CoII, and CrIII bearing dipicolinic acid driven by the nature of the noncovalent interactions","CrystEngComm","2014","16","24","5352","","10.1039/c4ce00325j","","x-ray","1.54179","CuKα","","","0.0382","","","","0.1217","","","","","","1.103","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235401","35.1399","0.0009","9.6985","0.0002","18.5587","0.0005","90","","119.555","0.003","90","","5501.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H47 Cr2 N8 O22.55 -","- C54 H47 Cr2 N8 O22.55 -","- C216 H188 Cr8 N32 O90.2 -","4","0.5","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Karrabi, Zahra; Molčanov, Krešimir; Eydizadeh, Ehsan; Mague, Joel T.; Bauzá, Antonio; Frontera, Antonio","Crystal engineering with coordination compounds of NiII, CoII, and CrIII bearing dipicolinic acid driven by the nature of the noncovalent interactions","CrystEngComm","2014","16","24","5352","","10.1039/c4ce00325j","","x-ray","1.54184","CuKα","","","0.0365","","","","0.108","","","","","","1.06","","","","has coordinates","232761","2020-10-21","18:00:00",""
"7235402","13.676","0.003","10.0513","0.0019","13.785","0.003","90","","115.251","0.013","90","","1713.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 Ni O11 -","- C14 H14 N2 Ni O11 -","- C56 H56 N8 Ni4 O44 -","4","1","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Karrabi, Zahra; Molčanov, Krešimir; Eydizadeh, Ehsan; Mague, Joel T.; Bauzá, Antonio; Frontera, Antonio","Crystal engineering with coordination compounds of NiII, CoII, and CrIII bearing dipicolinic acid driven by the nature of the noncovalent interactions","CrystEngComm","2014","16","24","5352","","10.1039/c4ce00325j","","","0.71073","MoKα","","0.0516","0.0384","","","0.0962","0.1028","","","","","","1.045","","","","has coordinates","232761","2020-10-21","18:00:00",""
"7235403","12.328","0.005","16.545","0.007","12.821","0.005","90","","109.19","0.005","90","","2469.7","1.7","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C50 H70 N4 O20 S -","- C50 H70 N4 O20 S -","- C100 H140 N8 O40 S2 -","2","0.5","","Fowler, Drew A.; Pfeiffer, Constance R.; Teat, Simon J.; Beavers, Christine M.; Baker, Gary A.; Atwood, Jerry L.","Illuminating host‒guest cocrystallization between pyrogallol[4]arenes and the ionic liquid 1-ethyl-3-methylimidazolium ethylsulfate","CrystEngComm","2014","16","27","6010","","10.1039/C4CE00359D","","","0.7749","synchrotron","","0.085","0.0668","","","0.2","0.2194","","","","","","1.068","","","","has coordinates,has disorder","232764","2020-10-21","18:00:00",""
"7235404","12.72","0.003","39.701","0.01","16.861","0.004","90","","95.212","0.004","90","","8480","4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","c2phemimetso4","","","- C84 H110 N6 O27 S3 -","- C84 H104 N6 O27 S3 -","- C336 H416 N24 O108 S12 -","4","1","","Fowler, Drew A.; Pfeiffer, Constance R.; Teat, Simon J.; Beavers, Christine M.; Baker, Gary A.; Atwood, Jerry L.","Illuminating host‒guest cocrystallization between pyrogallol[4]arenes and the ionic liquid 1-ethyl-3-methylimidazolium ethylsulfate","CrystEngComm","2014","16","27","6010","","10.1039/C4CE00359D","","","0.71073","MoKα","","0.1209","0.0728","","","0.1867","0.2195","","","","","","1.043","","","","has coordinates,has disorder","232764","2020-10-21","18:00:00",""
"7235405","9.9102","0.0015","14.121","0.002","14.877","0.002","91.328","0.002","96.132","0.002","96.436","0.002","2055.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2DFMJ12","","","- C42 H53 N3 O17 S -","- C42 H51 N3 O17 S -","- C84 H102 N6 O34 S2 -","2","1","","Fowler, Drew A.; Pfeiffer, Constance R.; Teat, Simon J.; Beavers, Christine M.; Baker, Gary A.; Atwood, Jerry L.","Illuminating host‒guest cocrystallization between pyrogallol[4]arenes and the ionic liquid 1-ethyl-3-methylimidazolium ethylsulfate","CrystEngComm","2014","16","27","6010","","10.1039/C4CE00359D","","","0.7749","synchrotron","","0.0936","0.0575","","","0.14","0.1598","","","","","","1.008","","","","has coordinates,has disorder","232764","2020-10-21","18:00:00",""
"7235406","19.3218","0.0016","14.7252","0.0012","32.896","0.003","90","","104.855","0.002","90","","9046.7","1.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","3DFMJ12","","","- C87 H122 N4 O36 S -","- C87 H108 N4 O36 S -","- C348 H432 N16 O144 S4 -","4","1","","Fowler, Drew A.; Pfeiffer, Constance R.; Teat, Simon J.; Beavers, Christine M.; Baker, Gary A.; Atwood, Jerry L.","Illuminating host‒guest cocrystallization between pyrogallol[4]arenes and the ionic liquid 1-ethyl-3-methylimidazolium ethylsulfate","CrystEngComm","2014","16","27","6010","","10.1039/C4CE00359D","","","0.7749","synchrotron","","0.0962","0.0766","","","0.2043","0.2276","","","","","","1.022","","","","has coordinates,has disorder","232764","2020-10-21","18:00:00",""
"7235407","10.059","0.0019","14.556","0.003","15.558","0.003","92.816","0.002","93.863","0.002","96.287","0.002","2255.5","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","C2emimMeCN","","","- C46 H61 N3 O17 S -","- C46 H59 N3 O17 S -","- C92 H118 N6 O34 S2 -","2","1","","Fowler, Drew A.; Pfeiffer, Constance R.; Teat, Simon J.; Beavers, Christine M.; Baker, Gary A.; Atwood, Jerry L.","Illuminating host‒guest cocrystallization between pyrogallol[4]arenes and the ionic liquid 1-ethyl-3-methylimidazolium ethylsulfate","CrystEngComm","2014","16","27","6010","","10.1039/C4CE00359D","","","0.71073","MoKα","","0.084","0.0499","","","0.1268","0.1502","","","","","","1.013","","","","has coordinates,has disorder","232764","2020-10-21","18:00:00",""
"7235408","21.075","0.009","12.796","0.006","18.229","0.008","90","","96.533","0.006","90","","4884","4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","pgc4emimace","","","- C50 H72 N2 O18 S -","- C50 H72 N2 O18 S -","- C200 H288 N8 O72 S4 -","4","1","","Fowler, Drew A.; Pfeiffer, Constance R.; Teat, Simon J.; Beavers, Christine M.; Baker, Gary A.; Atwood, Jerry L.","Illuminating host‒guest cocrystallization between pyrogallol[4]arenes and the ionic liquid 1-ethyl-3-methylimidazolium ethylsulfate","CrystEngComm","2014","16","27","6010","","10.1039/C4CE00359D","","","0.71073","MoKα","","0.2169","0.0934","","","0.2099","0.2636","","","","","","1.024","","","","has coordinates","232764","2020-10-21","18:00:00",""
"7235410","11.532","0.002","13.619","0.003","11.371","0.002","90","","95.74","0.03","90","","1776.9","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N4 O2 -","- C20 H18 N4 O2 -","- C80 H72 N16 O8 -","4","1","","Chen, Shuo; Fan, Rui-Qing; Wang, Xin-Ming; Yang, Yu-Lin","Novel bright blue emissions IIB group complexes constructed with various polyhedron-induced 2-[2′-(6-methoxy-pyridyl)]-benzimidazole derivatives","CrystEngComm","2014","16","27","6114","","10.1039/c4ce00382a","","","0.71073","MoKα","","0.0739","0.0435","","","0.1106","0.1229","","","","","","1.034","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235411","15.01","0.003","9.2532","0.0019","16.741","0.003","90","","113.64","0.03","90","","2130","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Cl2 N4 O2 Zn -","- C20 H18 Cl2 N4 O2 Zn -","- C80 H72 Cl8 N16 O8 Zn4 -","4","1","","Chen, Shuo; Fan, Rui-Qing; Wang, Xin-Ming; Yang, Yu-Lin","Novel bright blue emissions IIB group complexes constructed with various polyhedron-induced 2-[2′-(6-methoxy-pyridyl)]-benzimidazole derivatives","CrystEngComm","2014","16","27","6114","","10.1039/c4ce00382a","","","0.71073","MoKα","","0.0649","0.0411","","","0.0839","0.0929","","","","","","1.07","","","","has coordinates","232767","2020-10-21","18:00:00",""
"7235412","10.023","0.002","14.669","0.003","14.429","0.003","90","","96.56","0.03","90","","2107.6","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Cd4","","","- C20 H18 Cd Cl2 N4 O2 -","- C20 H18 Cd Cl2 N4 O2 -","- C80 H72 Cd4 Cl8 N16 O8 -","4","1","","Chen, Shuo; Fan, Rui-Qing; Wang, Xin-Ming; Yang, Yu-Lin","Novel bright blue emissions IIB group complexes constructed with various polyhedron-induced 2-[2′-(6-methoxy-pyridyl)]-benzimidazole derivatives","CrystEngComm","2014","16","27","6114","","10.1039/c4ce00382a","","","0.71073","MoKα","","0.035","0.0291","","","0.0834","0.0866","","","","","","1.153","","","","has coordinates","232767","2020-10-21","18:00:00",""
"7235413","11.0477","0.0002","18.3261","0.0005","19.7231","0.0005","90","","91.198","0.002","90","","3992.29","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Cd N10 O11 -","- C40 H38 Cd N10 O11 -","- C160 H152 Cd4 N40 O44 -","4","1","","Chen, Shuo; Fan, Rui-Qing; Wang, Xin-Ming; Yang, Yu-Lin","Novel bright blue emissions IIB group complexes constructed with various polyhedron-induced 2-[2′-(6-methoxy-pyridyl)]-benzimidazole derivatives","CrystEngComm","2014","16","27","6114","","10.1039/c4ce00382a","","","0.71073","MoKα","","0.065","0.0414","","","0.0939","0.1103","","","","","","1.028","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235414","7.9949","0.0016","11.283","0.002","11.996","0.002","97.51","0.03","103.89","0.03","102.5","0.03","1006.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Cl2 Hg N4 O2 -","- C20 H18 Cl2 Hg N4 O2 -","- C40 H36 Cl4 Hg2 N8 O4 -","2","1","","Chen, Shuo; Fan, Rui-Qing; Wang, Xin-Ming; Yang, Yu-Lin","Novel bright blue emissions IIB group complexes constructed with various polyhedron-induced 2-[2′-(6-methoxy-pyridyl)]-benzimidazole derivatives","CrystEngComm","2014","16","27","6114","","10.1039/c4ce00382a","","","0.71073","MoKα","","0.0387","0.0337","","","0.0894","0.0963","","","","","","0.879","","","","has coordinates","232767","2020-10-21","18:00:00",""
"7235415","7.346","0.0015","9.4","0.0019","10.7","0.002","101.75","0.03","90.16","0.03","92.82","0.03","722.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H9 Cl2 N3 O Zn -","- C13 H11 Cl2 N3 O Zn -","- C26 H22 Cl4 N6 O2 Zn2 -","2","1","","Chen, Shuo; Fan, Rui-Qing; Wang, Xin-Ming; Yang, Yu-Lin","Novel bright blue emissions IIB group complexes constructed with various polyhedron-induced 2-[2′-(6-methoxy-pyridyl)]-benzimidazole derivatives","CrystEngComm","2014","16","27","6114","","10.1039/c4ce00382a","","","0.71073","MoKα","","0.1369","0.0785","","","0.2118","0.3374","","","","","","0.986","","","","has coordinates","232767","2020-10-21","18:00:00",""
"7235416","7.9745","0.0018","16.072","0.004","10.223","0.003","90","","110.051","0.007","90","","1230.8","0.6","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4'-bis(9-carbazolyl)biphenyl","","- C36 H24 N2 -","- C36 H24 N2 -","- C72 H48 N4 -","2","0.5","","Gleason, Cody J.; Cox, Jordan M.; Walton, Ian M.; Benedict, Jason B.","Polymorphism and the influence of crystal structure on the luminescence of the opto-electronic material 4,4′-bis(9-carbazolyl)biphenyl","CrystEngComm","2014","16","33","7621","","10.1039/C4CE01056F","","x-ray","0.71073","MoKα","","0.0866","0.0496","","","0.1147","0.1268","","","","","","1.046","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235417","26.9518","0.0017","12.3277","0.0008","15.2781","0.001","90","","90","","90","","5076.2","0.6","90","","90","","","","","","","","","3","A e a 2","A 2 -2ab","41","","4,4'–bis(9-carbazolyl)biphenyl","","- C36 H24 N2 -","- C36 H24 N2 -","- C288 H192 N16 -","8","1","","Gleason, Cody J.; Cox, Jordan M.; Walton, Ian M.; Benedict, Jason B.","Polymorphism and the influence of crystal structure on the luminescence of the opto-electronic material 4,4′-bis(9-carbazolyl)biphenyl","CrystEngComm","2014","16","33","7621","","10.1039/C4CE01056F","","x-ray","0.71073","MoKα","","0.0372","0.0318","","","0.0714","0.0737","","","","","","1.07","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7235418","18.0076","0.001","7.3919","0.0004","36.337","0.002","90","","90","","90","","4836.8","0.5","90","","90","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4,4'-bis(9-carbazolyl)biphenyl","","- C36 H24 N2 -","- C36 H24 N2 -","- C288 H192 N16 -","8","1","","Gleason, Cody J.; Cox, Jordan M.; Walton, Ian M.; Benedict, Jason B.","Polymorphism and the influence of crystal structure on the luminescence of the opto-electronic material 4,4′-bis(9-carbazolyl)biphenyl","CrystEngComm","2014","16","33","7621","","10.1039/C4CE01056F","","x-ray","0.71073","MoKα","","0.066","0.046","","","0.1093","0.1214","","","","","","1.022","","","","has coordinates","301866","2025-08-22","21:38:30",""
"7251589","9.2405","0.0002","20.5457","0.0005","6.9132","0.0002","90","","109.941","0.001","90","","1233.8","0.05","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cl N3 O -","- C14 H10 Cl N3 O -","- C56 H40 Cl4 N12 O4 -","4","1","","Acosta-Quiroga, Karen; Jiménez, Claudio A; Cobos-Montes, Kevin; Rodríguez-Núñez, Yeray A; López, Jhon; Guerra, Cristian; Calderón Orjuela, Deiber A; Gutierrez, Margarita; Polo-Cuadrado, Efraín","Multimodal characterization of a pyrazolo[3,4-<i>b</i>]pyridine aldehyde: quantum chemical insights, NLO activity and VEGFR-2 docking/molecular dynamics.","RSC advances","2026","16","8","7648","7658","10.1039/d5ra09658h","","","0.71073","MoKα","","0.0464","0.0403","","","0.1129","0.1182","","","","","","1.099","","","","has coordinates","304400","2026-02-13","02:37:28",""
"7251590","17.2376","0.0008","11.8058","0.0005","15.3135","0.0007","90","","92.212","0.002","90","","3114","0.2","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 O8 S2 -","- C34 H34 O8 S2 -","- C136 H136 O32 S8 -","4","1","","Mandigo, Joseph A.; Kelsey, Shaun R.; Applegate, Jason C.; Sabala, Rene C.; Dairo, Monisola K.; Weghorn, Carben R.; Fair, Raina; Berrie, Cindy L.; Thompson, Ward H.; Janzen, Daron E.; Barybin, Mikhail V.","6,6′-Biazulenic core as a platform for unlocking Hammett constants via electrochemical free-energy relationships","RSC Advances","2026","16","9","8371","8379","10.1039/D6RA00120C","","x-ray","0.71073","MoKα","","0.0693","0.0592","","","0.1546","0.164","","","","","","1.057","","","","has coordinates,has disorder","304401","2026-02-13","02:37:48",""
"7251591","18.9713","0.0007","9.4358","0.0003","27.1606","0.0011","90","","105.179","0.004","90","","4692.4","0.3","93.15","","93.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C29.5 H27.75 N3.25 O -","- C29.5 H27.75 N3.25 O -","- C236 H222 N26 O8 -","8","1","","Miwa, Marino; Ito, Akitaka","Fluorescent-state switching of a 10-hydroxybezo[h]quinoline skeleton through the electronic nature of substituents","RSC Advances","2026","16","10","8453","8465","10.1039/D5RA09266C","","x-ray","0.71073","MoKα","","0.0542","0.0466","","","0.1129","0.1177","","","","","","1.026","","","","has coordinates,has disorder","304402","2026-02-13","02:38:30",""
"7251592","31.2623","0.0008","31.2623","0.0008","10.4233","0.0003","90","","90","","120","","8822.2","0.4","93.15","","93.15","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C27 H21 N O1.17 -","- C27 H21 N O1.1667 -","- C486 H378 N18 O21.0006 -","18","1","","Miwa, Marino; Ito, Akitaka","Fluorescent-state switching of a 10-hydroxybezo[h]quinoline skeleton through the electronic nature of substituents","RSC Advances","2026","16","10","8453","8465","10.1039/D5RA09266C","","x-ray","0.71073","MoKα","","0.0521","0.0471","","","0.1244","0.1278","","","","","","1.018","","","","has coordinates","304402","2026-02-13","02:38:30",""
"7251593","8.773","0.0004","24.1239","0.0008","9.6591","0.0004","90","","108.576","0.004","90","","1937.74","0.14","93.15","","93.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 N O3 -","- C27 H21 N O3 -","- C108 H84 N4 O12 -","4","1","","Miwa, Marino; Ito, Akitaka","Fluorescent-state switching of a 10-hydroxybezo[h]quinoline skeleton through the electronic nature of substituents","RSC Advances","2026","16","10","8453","8465","10.1039/D5RA09266C","","x-ray","0.71073","MoKα","","0.0413","0.0366","","","0.0944","0.098","","","","","","1.03","","","","has coordinates","304402","2026-02-13","02:38:30",""
"7251594","14.033","0.0003","14.9961","0.0003","15.6184","0.0003","106.652","0.002","94.045","0.002","99.828","0.002","3077.75","0.12","93.15","","93.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H14.9 F6 N O -","- C27 H14.9 F6 N O -","- C162 H89.4 F36 N6 O6 -","6","3","","Miwa, Marino; Ito, Akitaka","Fluorescent-state switching of a 10-hydroxybezo[h]quinoline skeleton through the electronic nature of substituents","RSC Advances","2026","16","10","8453","8465","10.1039/D5RA09266C","","x-ray","0.71073","MoKα","","0.0877","0.0667","","","0.1789","0.194","","","","","","1.022","","","","has coordinates,has disorder","304402","2026-02-13","02:38:30",""
"7251595","3.8336","0.0002","20.9976","0.0009","10.584","0.0004","90","","92.115","0.004","90","","851.39","0.07","93.15","","93.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H15 F2 N O -","- C25 H15 F2 N O -","- C50 H30 F4 N2 O2 -","2","1","","Miwa, Marino; Ito, Akitaka","Fluorescent-state switching of a 10-hydroxybezo[h]quinoline skeleton through the electronic nature of substituents","RSC Advances","2026","16","10","8453","8465","10.1039/D5RA09266C","","x-ray","0.71073","MoKα","","0.0594","0.054","","","0.1443","0.151","","","","","","1.078","","","","has coordinates,has disorder","304402","2026-02-13","02:38:30",""
"7251596","7.7291","0.0005","13.5968","0.0009","32.5171","0.0019","90","","90","","90","","3417.3","0.4","93.15","","93.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H17 N O -","- C25 H17 N O -","- C200 H136 N8 O8 -","8","2","","Miwa, Marino; Ito, Akitaka","Fluorescent-state switching of a 10-hydroxybezo[h]quinoline skeleton through the electronic nature of substituents","RSC Advances","2026","16","10","8453","8465","10.1039/D5RA09266C","","x-ray","0.71073","MoKα","","0.0517","0.0399","","","0.1025","0.1075","","","","","","1.049","","","","has coordinates","304402","2026-02-13","02:38:31",""
"7251597","5.867","0.0002","12.0575","0.0004","12.19","0.0004","81.389","0.003","80.238","0.003","86.153","0.003","839.5","0.05","298","","298","","","","","","","","","5","P 1","P 1","1","","","","- C33 H31 Cl N4 O11 -","- C33 H31 Cl N4 O11 -","- C33 H31 Cl N4 O11 -","1","1","","Kumar, Ravendra; Chauhan, Deepanshi; Gupta, Rakesh Kumar; Dubey, Pawan K.; Kushwaha, Divya","Design, synthesis, structural characterization, anticancer evaluation, and computational studies of novel quinoline-1,2,3-triazole glycohybrids","RSC Advances","2026","16","10","8466","8486","10.1039/D5RA09700B","","x-ray","1.54184","CuKα","","0.106","0.0905","","","0.2669","0.2917","","","","","","1.196","","","","has coordinates","304403","2026-02-13","02:39:01",""
"7251598","5.7948","0.0001","11.9278","0.0002","12.1042","0.0002","82.636","0.002","87.276","0.001","80.538","0.002","818.14","0.02","298","","298","","","","","","","","","4","P 1","P 1","1","","","","- C33 H32 N4 O11 -","- C33 H32 N4 O11 -","- C33 H32 N4 O11 -","1","1","","Kumar, Ravendra; Chauhan, Deepanshi; Gupta, Rakesh Kumar; Dubey, Pawan K.; Kushwaha, Divya","Design, synthesis, structural characterization, anticancer evaluation, and computational studies of novel quinoline-1,2,3-triazole glycohybrids","RSC Advances","2026","16","10","8466","8486","10.1039/D5RA09700B","","x-ray","1.54184","CuKα","","0.0342","0.0332","","","0.0823","0.0834","","","","","","1.058","","","","has coordinates","304403","2026-02-13","02:39:02",""
"7251599","5.8582","0.0003","12.1432","0.0005","12.2488","0.0004","81.207","0.003","80.608","0.003","86.419","0.004","848.93","0.06","298","","298","","","","","","","","","4","P 1","P 1","1","","","","- C11.33 H11.33 N1.33 O3.67 -","- C11.3333 H11.3333 N1.33333 O3.66667 -","- C34 H34 N4 O11 -","3","3","","Kumar, Ravendra; Chauhan, Deepanshi; Gupta, Rakesh Kumar; Dubey, Pawan K.; Kushwaha, Divya","Design, synthesis, structural characterization, anticancer evaluation, and computational studies of novel quinoline-1,2,3-triazole glycohybrids","RSC Advances","2026","16","10","8466","8486","10.1039/D5RA09700B","","x-ray","1.54184","CuKα","","0.1094","0.0908","","","0.2972","0.3171","","","","","","1.185","","","","has coordinates","304403","2026-02-13","02:39:02",""
"7251600","9.4612","0.0015","17.394","0.003","22.774","0.002","81.071","0.003","86.4","0.004","82.258","0.004","3665.3","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H30 F3 Fe N3 O4 S -","- C22 H30 F3 Fe N3 O4 S -","- C132 H180 F18 Fe6 N18 O24 S6 -","6","3","","Fadul, Adam; Cundari, Thomas; Bertke, Jeffery; Toledo, Santiago A.","Tetrad or triad? insights from a versatile Fe(ii) structural and functional model of the 3-histidine 1-carboxylate tetrad in C–C bond cleaving dioxygenase enzymes","RSC Advances","2026","16","10","8695","8708","10.1039/D5RA09716A","","","0.71073","MoKα","","0.0536","0.034","","","0.0734","0.0816","","","","","","1.024","","","","has coordinates,has disorder","304425","2026-02-13","15:48:23",""
"7251601","16.4628","0.0011","16.4628","0.0011","22.7913","0.0016","90","","90","","90","","6177","0.7","100","2","100","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C44 H60 F6 Fe2 N6 O9 S2 -","- C44 H60 F6 Fe2 N6 O9 S2 -","- C176 H240 F24 Fe8 N24 O36 S8 -","4","0.5","","Fadul, Adam; Cundari, Thomas; Bertke, Jeffery; Toledo, Santiago A.","Tetrad or triad? insights from a versatile Fe(ii) structural and functional model of the 3-histidine 1-carboxylate tetrad in C–C bond cleaving dioxygenase enzymes","RSC Advances","2026","16","10","8695","8708","10.1039/D5RA09716A","","","0.71073","MoKα","","0.0511","0.0368","","","0.0966","0.1037","","","","","","1.052","","","","has coordinates,has disorder","304425","2026-02-13","15:48:24",""
"7251610","11.2233","0.0018","21.237","0.003","9.1008","0.0012","90","","101.53","0.006","90","","2125.4","0.5","297","2","297","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N3 O -","- C27 H23 N3 O -","- C108 H92 N12 O4 -","4","1","","Singh, Neetika; Kokatla, Hari Prasad; Naddi, Nagaraju; Inapanuri, Madhu","Molecular iodine catalyzed C3-quaternization via oxidative dearomatization of indoles: direct access to 3,3-di(indolyl)indolin-2-ones","RSC Advances","2026","16","9","7967","7973","10.1039/D6RA00218H","","","0.71073","MoKα","","0.0714","0.0553","","","0.1531","0.1624","","","","","","1.062","","","","has coordinates","304455","2026-02-17","02:45:59",""
"7251611","10.2869","0.0002","7.3842","0.0002","24.8911","0.0005","90","","95.917","0.002","90","","1880.67","0.07","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 Bi Br4 N4 O2 -","- C10 H17 Bi Br4 N4 O2 -","- C40 H68 Bi4 Br16 N16 O8 -","4","1","","Alibi, Amin; Sellami, Sameh; Elleuch, Nour; Shova, Sergiu; Chabchoub, Fakher; Boujelbene, Mohamed","A new multifunctional one-dimensional bromo-bismuthate(iii): synthesis, structural features, characterization, and optical properties of (C10H13N4)[BiBr4]·2H2O","RSC Advances","2026","16","10","9246","9263","10.1039/D5RA09435F","","","0.71073","MoKα","","0.029","0.023","","","0.0491","0.0506","","","","","","1.052","","","","has coordinates","304456","2026-02-17","02:46:15",""
"7251615","18.2228","0.0007","5.8415","0.0002","18.7272","0.0007","90","","90.551","0.002","90","","1993.39","0.13","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","Dihydrosarsolenone","","- C22 H32 O5 -","- C22 H32 O5 -","- C88 H128 O20 -","4","1","","Chuang, Yue-Wen; Ahmed, Atallah F.; Chung, Hsiao-Ling; Liu, Yueh-Wen; Chien, Su-Ying; Lin, Yu-Chi; Liaw, Chia-Ching; Wu, Yu-Jen; Weng, Jing-Ru; Pham, Quoc Vu; Su, Jui-Hsin; Sheu, Jyh-Horng; Sung, Ping-Jyun","Sarcoglaucone A, a novel sarsolenane-related diterpenoid from the soft coral Sarcophyton glaucum","RSC Advances","2026","16","10","9224","9232","10.1039/D5RA09073C","","","1.54178","CuKα","","0.0431","0.0405","","","0.1026","0.1049","","","","","","1.04","","","","has coordinates","304505","2026-02-18","02:51:04",""
"7251616","6.6754","0.0004","12.6299","0.0008","24.3212","0.0015","90","","90","","90","","2050.5","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Sarcoglaucone A","","- C22 H34 O5 -","- C22 H34 O5 -","- C88 H136 O20 -","4","1","","Chuang, Yue-Wen; Ahmed, Atallah F.; Chung, Hsiao-Ling; Liu, Yueh-Wen; Chien, Su-Ying; Lin, Yu-Chi; Liaw, Chia-Ching; Wu, Yu-Jen; Weng, Jing-Ru; Pham, Quoc Vu; Su, Jui-Hsin; Sheu, Jyh-Horng; Sung, Ping-Jyun","Sarcoglaucone A, a novel sarsolenane-related diterpenoid from the soft coral Sarcophyton glaucum","RSC Advances","2026","16","10","9224","9232","10.1039/D5RA09073C","","","1.54178","CuKα","","0.1207","0.0638","","","0.1229","0.1448","","","","","","1.042","","","","has coordinates","304505","2026-02-18","02:51:05",""
"7251617","9.0007","0.0002","14.7508","0.0004","7.4059","0.0002","90","","94.084","0.002","90","","980.77","0.04","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H9 Cl3 N2 O Pd -","- C4 H9 Cl3 N2 O Pd -","- C16 H36 Cl12 N8 O4 Pd4 -","4","1","","Bougossa, Sarra; Ben Hamadi, Naoufel; Wannassi, Jassem; Mhadhbi, Noureddine; Erwann, Jeanneau; Guesmi, Ahlem; Khezami, Lotfi; Barhoumi, Houcine; Naïli, Houcine","From structure to function: a one-dimensional palladium(ii) hybrid for real-sample hydroquinone detection","RSC Advances","2026","16","11","9530","9546","10.1039/D5RA08631K","","x-ray","0.71073","MoKα","","0.0409","0.0389","","","0.1037","0.1063","","","","","","1.044","","","","has coordinates","304506","2026-02-18","02:51:18",""
"7251640","5.4555","0.0001","8.2759","0.0001","14.6095","0.0002","90.721","0.001","98.723","0.002","108.09","0.002","618.499","0.018","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H28 Cl2 N2 Na2 O12 Pd -","- C14 H28 Cl2 N2 Na2 O12 Pd -","- C14 H28 Cl2 N2 Na2 O12 Pd -","1","0.5","","Kodrin, Ivan; Rodríguez, Maricel Gabriela; Politeo, Nives; Soldin, Željka; Kerš, Igor; Rončević, Tomislav; Čikeš Čulić, Vedrana; Sokol, Vesna; Doctorovich, Fabio; Kukovec, Boris-Marko","The influence of the substituent type and position on the topology of 2-D heterometallic sodium–palladium(ii) coordination networks with substituted nicotinate ligands","RSC Advances","2026","16","11","9520","9529","10.1039/D5RA08782A","","","1.54184","CuKα","","0.0323","0.0321","","","0.0869","0.0869","","","","","","1.062","","","","has coordinates","304543","2026-02-19","02:45:33",""
"7251641","8.4926","0.0002","25.4917","0.0005","5.4929","0.0001","90","","102.535","0.002","90","","1160.82","0.04","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 Cl2 F2 N2 Na2 O12 Pd -","- C12 H22 Cl2 F2 N2 Na2 O12 Pd -","- C24 H44 Cl4 F4 N4 Na4 O24 Pd2 -","2","0.5","","Kodrin, Ivan; Rodríguez, Maricel Gabriela; Politeo, Nives; Soldin, Željka; Kerš, Igor; Rončević, Tomislav; Čikeš Čulić, Vedrana; Sokol, Vesna; Doctorovich, Fabio; Kukovec, Boris-Marko","The influence of the substituent type and position on the topology of 2-D heterometallic sodium–palladium(ii) coordination networks with substituted nicotinate ligands","RSC Advances","2026","16","11","9520","9529","10.1039/D5RA08782A","","","0.71073","MoKα","","0.0274","0.0239","","","0.0528","0.0545","","","","","","1.06","","","","has coordinates","304543","2026-02-19","02:45:34",""
"7251660","16.2565","0.0001","8.2382","0.0001","19.2818","0.0001","90","","90.941","0.001","90","","2581.95","0.04","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","triphenylamine_aroyl-S,N-ketene_acetal","(Z)-2-(3-(4-(diphenylamino)benzyl)benzo[d]thiazol-2(3H)-ylidene)-1-phenylethan-1-one","","- C34 H26 N2 O S -","- C34 H26 N2 O S -","- C136 H104 N8 O4 S4 -","4","1","","El Abbassi, Abdelouahad; Krenzer, Julius; Petrov, Eugene P.; Biesen, Lukas; Vasylyeva, Vera; Merzenich, Sarah; Resch-Genger, Ute; Müller, Thomas J. J.","Aroyl-S,N-ketene acetal-triarylamine bichromophores – intramolecular energy transfer and dual emission upon induced aggregation and encapsulation","RSC Advances","2026","16","11","10255","10260","10.1039/D5RA09361A","","x-ray","1.54184","CuKα","","0.0336","0.0311","","","0.0812","0.0831","","","","","","1.071","","","","has coordinates","304578","2026-02-21","02:36:50",""
"7251661","7.8399","0.0008","9.4995","0.0008","24.376","0.002","90","","90","","90","","1815.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","L-histidine Iodide","","- C6 H10 I N3 O2 -","- C6 H10 I N3 O2 -","- C48 H80 I8 N24 O16 -","8","2","","Walha, Sandra; Hussein, Rageh K.; Roisnel, Thierry; Ben Ahmed, Ali","Imidazolium versus phenylalaninium hybrid salts: supramolecular control of electronic, nonlinear optical and bioactive properties","RSC Advances","2026","16","11","10230","10242","10.1039/D5RA09394E","","","0.71073","MoKα","","0.0913","0.0441","","","0.0739","0.0829","","","","","","0.777","","","","has coordinates","304579","2026-02-21","02:37:07",""
"7251662","5.383","0.0017","7.045","0.002","27.746","0.01","90","","90","","90","","1052.2","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 Cl N O2 -","- C9 H12 Cl N O2 -","- C36 H48 Cl4 N4 O8 -","4","1","","Walha, Sandra; Hussein, Rageh K.; Roisnel, Thierry; Ben Ahmed, Ali","Imidazolium versus phenylalaninium hybrid salts: supramolecular control of electronic, nonlinear optical and bioactive properties","RSC Advances","2026","16","11","10230","10242","10.1039/D5RA09394E","","","0.71073","MoKα","","0.0545","0.0407","","","0.0815","0.0868","","","","","","1.075","","","","has coordinates","304579","2026-02-21","02:37:07",""
"7251673","11.1244","0.0004","11.1286","0.0004","12.4964","0.0005","88.894","0.002","64.702","0.001","61.479","0.001","1195.24","0.08","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H60 Bi2 I9 N3 -","- C24 H60 Bi2 I9 N3 -","- C24 H60 Bi2 I9 N3 -","1","1","","Elgahami, Hanen; Ben Brahim, Khawla; Hajlaoui, Sondes; Alamri, Mona A.; Corbel, Gwenaël; Oueslati, Abderrazek","Synthesis and zero-dimensional structure of a new lead-free organic–inorganic[(C2H5)4N]3Bi2I9 compound: a promising material for optoelectronic devices","RSC Advances","2026","16","12","10785","10797","10.1039/D5RA09365A","","","0.71073","MoKα","","0.017","0.0165","","","0.0447","0.0454","","","","","","0.822","","","","has coordinates","304619","2026-02-25","02:31:46",""
"7251683","6.5396","0.0002","12.7039","0.0005","14.4697","0.0004","104.639","0.003","93.972","0.002","101.116","0.003","1132.43","0.07","200","0.01","200","0.01","","","","","","","","5","P -1","-P 1","2","","DDAD-13","","- C20 H24 Mo N4 O8 -","- C20 H24 Mo N4 O8 -","- C40 H48 Mo2 N8 O16 -","2","1","","De, Amit Kumar; Shaym, Tandrim; Ghosh, Subhasis; Dogra, Sunanda; Roy Choudhury, Angshuman; Das, Debasis","A new dioxo-molybdenum complex derived from an amide-based imine derivative for the fluorescence recognition of Zr(iv) with phosphatase activity","RSC Advances","2026","16","12","11130","11136","10.1039/D5RA04804D","","x-ray","0.71073","MoKα","","0.0399","0.0356","","","0.0817","0.0853","","","","","","1.135","","","","has coordinates","304666","2026-02-28","04:15:22",""
"7251684","8.9065","0.0015","17.848","0.004","11.126","0.002","90","","91.918","0.006","90","","1767.6","0.6","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","JP-C2-71-B2","","- C23 H18 N2 O2 -","- C23 H18 N2 O2 -","- C92 H72 N8 O8 -","4","1","","Prajapati, Jayprakash; Chatterjee, Sourav","2-Pyridone-assisted palladium-catalyzed regioselective arylation of naphthamides","RSC Advances","2026","16","14","12180","12185","10.1039/D6RA00358C","","","0.71073","MoKα","","0.0573","0.0383","","","0.086","0.1023","","","","","","1.071","","","","has coordinates","304729","2026-03-04","03:56:14",""
"7251685","16.923","0.002","17.004","0.002","19.383","0.002","90","","90","","90","","5577.6","1.1","118","","118","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","SNM_MKK_C2_125_B1","","- C31 H19 Br F6 N2 O2 -","- C31 H19 Br F6 N2 O2 -","- C248 H152 Br8 F48 N16 O16 -","8","1","","Prajapati, Jayprakash; Chatterjee, Sourav","2-Pyridone-assisted palladium-catalyzed regioselective arylation of naphthamides","RSC Advances","2026","16","14","12180","12185","10.1039/D6RA00358C","","","0.71073","MoKα","","0.105","0.077","","","0.2191","0.2474","","","","","","1.078","","","","has coordinates","304729","2026-03-04","03:56:14",""
"7251720","6.703","0.0004","9.0452","0.0006","15.009","0.0009","90","","93.234","0.002","90","","908.55","0.1","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","1","","Zhao, Zhen-Zhu; Zhang, Fei; Zhao, Qi-Lu; Zhao, Jie; He, Hai-Rong; Liu, Hai-Jiao; Liu, Ke-Ke; Chen, Hui","Unusual prenylated phenols with antioxidant and immunosuppressive activities from the edible mushroom Lentinula edodes","RSC Advances","2026","16","14","12295","12301","10.1039/D5RA09796G","","","1.54178","CuKα","","0.0407","0.0397","","","0.1095","0.1107","","","","","","1.056","","","","has coordinates","304837","2026-03-05","07:15:24",""
"7251721","19.7423","0.0006","8.6733","0.0003","15.1399","0.0005","90","","98.086","0.001","90","","2566.64","0.15","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H19 Cl2 Cu N5 O8 -","- C26 H19 Cl2 Cu N5 O8 -","- C104 H76 Cl8 Cu4 N20 O32 -","4","0.5","","Ferreyra, Joaquín; Palopoli, Claudia; Pellegri, Nora; Terrestre, Gustavo; Signorella, Sandra R.","Comparative study of the peroxidase-like activity of copper(ii) complexes with N<sub>4</sub> and N<sub>2</sub>O<sub>2</sub> coordination environments. Application to the oxidation of phenol at moderate temperature.","RSC advances","2025","16","1","220","230","10.1039/d5ra08195e","","","0.71073","MoKα","","0.0458","0.0358","","","0.0934","0.1002","","","","","","1.045","","","","has coordinates,has disorder","304838","2026-03-05","07:38:05",""
"7251722","12.6618","0.0007","11.2248","0.0006","17.2213","0.001","90","","111.418","0.002","90","","2278.6","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chloro-bis(1,10-phenanthroline)-copper(ii) perchlorate","","- C24 H16 Cl2 Cu N4 O4 -","- C24 H16 Cl2 Cu N4 O4 -","- C96 H64 Cl8 Cu4 N16 O16 -","4","1","","Ferreyra, Joaquín; Palopoli, Claudia; Pellegri, Nora; Terrestre, Gustavo; Signorella, Sandra R.","Comparative study of the peroxidase-like activity of copper(ii) complexes with N<sub>4</sub> and N<sub>2</sub>O<sub>2</sub> coordination environments. Application to the oxidation of phenol at moderate temperature.","RSC advances","2025","16","1","220","230","10.1039/d5ra08195e","","","0.71073","MoKα","","0.0866","0.0605","","","0.1383","0.1524","","","","","","1.063","","","","has coordinates,has disorder","304838","2026-03-05","07:38:06",""
"7251723","18.3171","0.001","9.4843","0.0005","18.8728","0.001","90","","100.875","0.002","90","","3219.8","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(μ-aqua)-tetrakis(acetato)-bis(1,10-phenanthroline)-di-copper","","- C32 H30 Cu2 N4 O9 -","- C32 H30 Cu2 N4 O9 -","- C128 H120 Cu8 N16 O36 -","4","0.5","","Ferreyra, Joaquín; Palopoli, Claudia; Pellegri, Nora; Terrestre, Gustavo; Signorella, Sandra R.","Comparative study of the peroxidase-like activity of copper(ii) complexes with N<sub>4</sub> and N<sub>2</sub>O<sub>2</sub> coordination environments. Application to the oxidation of phenol at moderate temperature.","RSC advances","2025","16","1","220","230","10.1039/d5ra08195e","","","0.71073","MoKα","","0.0482","0.0383","","","0.1027","0.1127","","","","","","1.103","","","","has coordinates","304838","2026-03-05","07:38:06",""
"7251724","6.7404","0.0017","7.146","0.002","10.511","0.002","105.94","0.02","97.682","0.019","111.43","0.03","437.4","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C20 H16 N4 O4 -","2","1","","Serrano-Sterling, Camilo; Iriepa, Isabel; Macías, Mario A; Castillo, Juan-Carlos; Becerra, Diana","Piperidine-catalyzed synthesis of (<i>E</i>)-2-cyanoacrylamides: crystallographic, antiproliferative, and docking studies.","RSC advances","2025","16","1","819","835","10.1039/d5ra07121f","","","1.54184","CuKα","","0.0746","0.0605","","","0.1696","0.1948","","","","","","1.05","","","","has coordinates","304839","2026-03-05","07:38:27",""
"7251725","10.5813","0.0019","14.597","0.003","7.8316","0.0014","90","","105.946","0.004","90","","1163.1","0.4","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl Hg N3 S -","- C10 H8 Cl Hg N3 S -","- C40 H32 Cl4 Hg4 N12 S4 -","4","1","","Majumdar, Dhrubajyoti; Frontera, Antonio; Philip, Jessica Elizabeth; Gassoumi, Bouzid; Burguera, Sergi; Roy, Sourav; Ayachi, Sahbi","Influence of pseudohalide anions on non-covalent supramolecular synthons in Hg(ii) complexes with an 8-aminoquinoline ligand: DFT approach and biological implications.","RSC advances","2025","16","1","332","352","10.1039/d5ra09546h","","","0.71073","MoKα","","0.0603","0.0418","","","0.1066","0.1127","","","","","","0.932","","","","has coordinates","304840","2026-03-05","07:38:51",""
"7251726","10.78","0.017","14.69","0.02","7.948","0.012","90","","106.55","0.04","90","","1206","3","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl Hg N3 Se -","- C10 H8 Cl Hg N3 Se -","- C40 H32 Cl4 Hg4 N12 Se4 -","4","1","","Majumdar, Dhrubajyoti; Frontera, Antonio; Philip, Jessica Elizabeth; Gassoumi, Bouzid; Burguera, Sergi; Roy, Sourav; Ayachi, Sahbi","Influence of pseudohalide anions on non-covalent supramolecular synthons in Hg(ii) complexes with an 8-aminoquinoline ligand: DFT approach and biological implications.","RSC advances","2025","16","1","332","352","10.1039/d5ra09546h","","","0.71073","MoKα","","0.0744","0.044","","","0.1034","0.1214","","","","","","1.022","","","","has coordinates","304840","2026-03-05","07:38:51",""
"7251727","10.4468","0.0016","12.9783","0.0011","19.993","0.003","90","","90","","90","","2710.7","0.6","301","","301","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N3 O2 S -","- C21 H23 N3 O2 S -","- C84 H92 N12 O8 S4 -","4","1","","Yan, Si; Xu, Mengwei; Liu, Yan; Du, Ziwei; Zhang, Guangshuai; Liu, Zishu; Xiao, Jin; Guo, Xiaoqian; Liao, Gang; Min, Qing; Xie, Baocheng; Qin, Shuanglin","K<sup>+</sup>/Cu<sup>2+</sup> Co-chelated diastereoselective Friedel-Crafts reaction with chiral <i>N</i>-sulfinyl ketimines for the facile synthesis of chiral bisindoles and their cytotoxicity.","RSC advances","2026","16","8","7337","7343","10.1039/d5ra09219a","","","1.54184","CuKα","","0.0729","0.0597","","","0.1739","0.1976","","","","","","1.076","","","","has coordinates","304841","2026-03-05","07:39:07",""
"7251728","14.445","0.0001","14.8842","0.0001","23.3992","0.0001","90","","90","","90","","5030.88","0.05","100","0.1","100","0.1","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C24 H26 Cl F6 N2 O2 P Ru -","- C24 H26 Cl F6 N2 O2 P Ru -","- C192 H208 Cl8 F48 N16 O16 P8 Ru8 -","8","1","","Hacker, Ryan M.; Smith, Jacob J.; Platt, David C.; Loughlin, Maria I.; Grabowski, Emma N.; Brennessel, William W.; Jones, Marjorie A.; Webb, Michael I.","A Ru(ii)-arene complex with promising anti-Aβ activity.","RSC advances","2026","16","8","7056","7065","10.1039/d5ra08313c","","x-ray","1.54184","CuKα","","0.0305","0.0286","","","0.0778","0.0791","","","","","","1.095","","","","has coordinates","304842","2026-03-05","07:39:35",""
"7251729","7.0921","0.0001","12.3101","0.0001","15.0776","0.0001","103.47","0.001","93.552","0.001","95.831","0.001","1268.51","0.02","99.99","0.1","99.99","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C22 H28.19 Cl F6 N4 O2.1 P Ru -","- C22 H28.196 Cl F6 N4 O2.098 P Ru -","- C44 H56.392 Cl2 F12 N8 O4.196 P2 Ru2 -","2","1","","Hacker, Ryan M.; Smith, Jacob J.; Platt, David C.; Loughlin, Maria I.; Grabowski, Emma N.; Brennessel, William W.; Jones, Marjorie A.; Webb, Michael I.","A Ru(ii)-arene complex with promising anti-Aβ activity.","RSC advances","2026","16","8","7056","7065","10.1039/d5ra08313c","","x-ray","1.54184","CuKα","","0.0293","0.0289","","","0.0693","0.0696","","","","","","1.044","","","","has coordinates","304842","2026-03-05","07:39:35",""
"7251730","10.434","0.002","10.785","0.002","13.251","0.003","92.47","0.03","110.71","0.03","110.25","0.03","1285.1","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H52 Au2 O4 P2 -","- C58 H52 Au2 O4 P2 -","- C58 H52 Au2 O4 P2 -","1","0.5","","Zeng, Yanyan; Zheng, Fei; Jin, Lingyu; Chen, Qiu Mei; Zhou, Ping; Mou, Xiaoqing; Wu, Xiang Hua; Zhang, Jun Feng; Ren, Wen Xiu","Synthesis and antitumor activity of mono and digold(i) alkynyl complexes with oligo(ethylene glycol)methylether.","RSC advances","2026","16","8","7092","7096","10.1039/d5ra08951d","","","0.71073","MoKα","","0.0992","0.0709","","","0.1812","0.219","","","","","","1.036","","","","has coordinates","304843","2026-03-05","07:39:54",""
"7251731","10.033","","10.151","","13.402","","102.15","","106.83","","111.15","","1140.11","","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H44 Au2 O2 P2 -","- C54 H44 Au2 O2 P2 -","- C54 H44 Au2 O2 P2 -","1","0.5","","Zeng, Yanyan; Zheng, Fei; Jin, Lingyu; Chen, Qiu Mei; Zhou, Ping; Mou, Xiaoqing; Wu, Xiang Hua; Zhang, Jun Feng; Ren, Wen Xiu","Synthesis and antitumor activity of mono and digold(i) alkynyl complexes with oligo(ethylene glycol)methylether.","RSC advances","2026","16","8","7092","7096","10.1039/d5ra08951d","","","0.71073","MoKα","","0.0474","0.0456","","","0.1069","0.1082","","","","","","1.028","","","","has coordinates","304843","2026-03-05","07:39:54",""
"7251732","11.9663","0.0002","7.5014","0.0001","25.5657","0.0004","90","","90","","90","","2294.88","0.06","150","0.2","150","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C104 H88 N24 O16 -","8","1","","Gim, Joardar; Kowser, Zannatul; Debnath, Dipa; Prieety, Redika Sarmin; Jahan, Miss Tasnim; Waddell, Paul G.; Khatun, Most Tahera; Munni, Sahara Khatun; Khan, Md Rashed; Islam, Rashedul","Selective detection of Cu<sup>2+</sup> in aqueous medium using an acid hydrazide-based chemosensor: experimental and DFT/TDDFT studies.","RSC advances","2026","16","5","4473","4485","10.1039/d5ra06131h","","x-ray","1.54184","CuKα","","0.0344","0.0313","","","0.0832","0.0858","","","","","","1.06","","","","has coordinates","304844","2026-03-05","07:40:13",""
"7251733","20.5435","0.0005","7.984","0.0002","26.6642","0.0007","90","","90","","90","","4373.44","0.19","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H19 F3 N2 O5 S -","- C23 H19 F3 N2 O5 S -","- C184 H152 F24 N16 O40 S8 -","8","1","","Mancini, Luca; Ingargiola, Filippo; Barone, Giampaolo; Rossi, Patrizia; Formica, Mauro; Macedi, Eleonora; Lippi, Martina; Giorgi, Luca; Prodi, Luca; Fusi, Vieri; Paderni, Daniele","Synthesis and binding studies of two new coumarin-squaramide-based receptors for NSAIDs.","RSC advances","2026","16","5","4116","4128","10.1039/d5ra08698a","","","1.54178","CuKα","","0.0635","0.0456","","","0.1193","0.1324","","","","","","1.02","","","","has coordinates","304845","2026-03-05","07:40:33",""
"7251734","13.661","0.005","8.738","0.004","8.871","0.003","90","","123.79","0.011","90","","880.1","0.6","310","","310","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","0.5","","Liu, Boya; Zheng, Xueqi","A high-copper-content metal-organic framework with potential antibacterial activities.","RSC advances","2026","16","4","3602","3608","10.1039/d5ra08205f","","","0.71073","MoKα","","0.0233","0.0195","","","0.0524","0.0535","","","","","","1.09","","","","has coordinates","304846","2026-03-05","07:40:59",""
"7251735","16.158","0.0002","16.6083","0.0002","16.9298","0.0002","90","","112.185","0.003","90","","4206.89","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H72 Br4 Co N2 -","- C32 H72 Br4 Co N2 -","- C128 H288 Br16 Co4 N8 -","4","1","","Briki, Ridha; Ben Brahim, Khawla; Ben Gzaiel, Malika; Alsobai, Nourah A.; Rekik, Walid; Oueslati, Abderrazek","Correlated structural, vibrational and dielectric properties of the [(C<sub>4</sub>H<sub>9</sub>)<sub>4</sub>N]<sub>2</sub>CoBr<sub>4</sub> compound: origin of low-frequency polarization.","RSC advances","2026","16","4","3791","3802","10.1039/d5ra09416j","","","0.71073","MoKα","","0.1488","0.0556","","","0.1276","0.165","","","","","","1.002","","","","has coordinates","304847","2026-03-05","07:41:14",""
"7251736","8.3813","0.0006","15.7982","0.0011","19.1584","0.0013","102.206","0.003","92.856","0.002","95.182","0.002","2463.1","0.3","100.05","","100.05","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 Cu N4 S4 -","- C24 H30 Cu N4 S4 -","- C96 H120 Cu4 N16 S16 -","4","2","","Ajibade, Peter A.; Andrew, Fartisincha P.; Mbuyazi, Thandi B.; Papo, Tshephiso R.; Rajeshwar, Krishnan","Synthesis, crystal structure and DFT studies of a methylphenyl piperazinyl dithiocarbamato zinc(ii) precursor for zinc sulfide nanophotocatalysts used for the degradation of trypan blue and rhodamine 6G dyes.","RSC advances","2026","16","2","1848","1862","10.1039/d5ra04748j","","","0.71073","MoKα","","0.0795","0.0477","","","0.1062","0.1204","","","","","","1.029","","","","has coordinates","304848","2026-03-05","07:42:21",""
"7251737","8.8055","0.0002","46.2813","0.001","18.721","0.0003","90","","95.683","0.002","90","","7591.9","0.3","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27.17 Cu F12 N8.5 O2 P2 -","- C29 H27.165 Cu F12 N8.5 O2 P2 -","- C232 H217.32 Cu8 F96 N68 O16 P16 -","8","2","","Huo, X.; Guagliardo, M.; Duke, X.; Bouley, B.; Gorden, A. E. V.","Water-soluble imidazolium-functionalized Cu(ii) complex as a recyclable catalyst for allylic and benzylic oxidation.","RSC advances","2026","16","2","1335","1343","10.1039/d5ra09017b","","x-ray","1.54184","CuKα","","0.0969","0.0769","","","0.2159","0.2327","","","","","","1.062","","","","has coordinates,has disorder","304849","2026-03-05","07:42:43",""
"7251738","3.8927","0.0014","5.986","0.002","27.223","0.01","90","","93.888","0.009","90","","632.9","0.4","297","2","297","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C14 H8 Cl2 O3 -","- C14 H8 Cl2 O3 -","- C28 H16 Cl4 O6 -","2","0.5","","Roy, Sayanta; Dolai, Gobinda; Ariyan, S. K.; Mandal, Bhubaneswar","One-pot synthesis of ketones and symmetrical anhydrides from carboxylic acids.","RSC advances","2026","16","6","5466","5470","10.1039/d5ra08605a","","","0.71073","MoKα","","0.039","0.0339","","","0.1269","0.1435","","","","","","1.079","","","","has coordinates","304850","2026-03-05","07:43:02",""
"7251739","3.984","0.002","11.356","0.006","30.713","0.015","90","","90","","90","","1389.5","1.2","297","2","297","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O5 -","- C16 H14 O5 -","- C64 H56 O20 -","4","1","","Roy, Sayanta; Dolai, Gobinda; Ariyan, S. K.; Mandal, Bhubaneswar","One-pot synthesis of ketones and symmetrical anhydrides from carboxylic acids.","RSC advances","2026","16","6","5466","5470","10.1039/d5ra08605a","","","0.71073","MoKα","","0.1232","0.0946","","","0.2158","0.227","","","","","","1.399","","","","has coordinates","304850","2026-03-05","07:43:07",""
"7251740","12.6947","0.0007","16.0289","0.0008","12.9162","0.0006","90","","103.19","0.002","90","","2558.9","0.2","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H41 N3 O3 Sr -","- C21 H41 N3 O3 Sr -","- C84 H164 N12 O12 Sr4 -","4","1","","Lee, Yeji; Park, Chanwoo; Jeong, Sangyeon; Lim, Daeun; Kim, Jonghyun; Kim, Hyeongjun; Kim, Eun A.; Cho, Seong-Yong; Yoo, Hyobin; Park, Bo Keun; Chung, Teak-Mo; Lee, Woongkyu","Synthesis of heteroleptic [Sr(ddemap)(tmhd)]<sub>2</sub> and its use in atomic layer deposition of low carbon SrO thin films.","RSC advances","2026","16","6","4740","4749","10.1039/d5ra08373g","","x-ray","0.71073","MoKα","","0.0399","0.0311","","","0.0811","0.0855","","","","","","1.0547","","","","has coordinates","304851","2026-03-05","07:43:38",""
"7251741","10.2636","0.0011","11.9494","0.0011","12.8936","0.0012","85.389","0.006","78.976","0.006","67.687","0.005","1435.9","0.2","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 Fe N5 O6 -","- C34 H28 Fe N5 O6 -","- C68 H56 Fe2 N10 O12 -","2","1","","Lazaro, Sharon E.; Harding, Phimphaka; Boonyang, Upsorn; Telfer, Shane G.; Phonsri, Wasinee; Murray, Keith S.; Harding, David J.","Reverse micelle synthesis and downsizing effects in iron(iii) spin crossover materials.","RSC advances","2026","16","7","5707","5715","10.1039/d5ra07308a","","","1.54178","CuKα","","0.1553","0.1059","","","0.2785","0.3282","","","","","","1.066","","","","has coordinates,has disorder","304852","2026-03-05","07:43:59",""
"7251742","10.5042","0.0004","11.6247","0.0004","14.2377","0.0006","90","","93.995","0.004","90","","1734.32","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N O4 S -","- C21 H15 N O4 S -","- C84 H60 N4 O16 S4 -","4","1","","Manik, Soumen K.; Ali, Sk Asraf; Sepay, Nayim; Deb, Aniruddha; Shit, Manik; Barik, Paritosh; Rath, Jyotirmoy; Maity, Kankan K.; Pal, Sudhir C.; Samanta, Shubhankar; Hazra, Nirmal K.","A regioselective sustainable neat approach to naphtho[2,3-<i>b</i>]thiophene-4,9-dione: detailed mechanistic study and DFT analysis.","RSC advances","2026","16","7","6090","6105","10.1039/d5ra08362a","","","0.71073","MoKα","","0.0373","0.0334","","","0.0893","0.0922","","","","","","1.082","","","","has coordinates","304853","2026-03-05","07:44:37",""
"7251743","8.7952","0.0003","11.7758","0.0005","19.3258","0.0008","90","","90","","90","","2001.58","0.14","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","tert-butyl 4,9-dioxo-2-(phenylamino)-4,9-dihydronaphtho[2,3-b]thiophene-3-carboxylate","","- C23 H19 N2 O4 S -","- C23 H19 N O4 S -","- C92 H76 N4 O16 S4 -","4","1","","Manik, Soumen K.; Ali, Sk Asraf; Sepay, Nayim; Deb, Aniruddha; Shit, Manik; Barik, Paritosh; Rath, Jyotirmoy; Maity, Kankan K.; Pal, Sudhir C.; Samanta, Shubhankar; Hazra, Nirmal K.","A regioselective sustainable neat approach to naphtho[2,3-<i>b</i>]thiophene-4,9-dione: detailed mechanistic study and DFT analysis.","RSC advances","2026","16","7","6090","6105","10.1039/d5ra08362a","","","0.71073","MoKα","","0.0617","0.0508","","","0.1395","0.1577","","","","","","0.9","","","","has coordinates","304853","2026-03-05","07:44:38",""
"7251744","13.391","0.003","9.952","0.003","33.797","0.009","90","","90","","90","","4504","2","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H19 N O6 S -","- C24 H19 N O6 S -","- C192 H152 N8 O48 S8 -","8","1","","Manik, Soumen K.; Ali, Sk Asraf; Sepay, Nayim; Deb, Aniruddha; Shit, Manik; Barik, Paritosh; Rath, Jyotirmoy; Maity, Kankan K.; Pal, Sudhir C.; Samanta, Shubhankar; Hazra, Nirmal K.","A regioselective sustainable neat approach to naphtho[2,3-<i>b</i>]thiophene-4,9-dione: detailed mechanistic study and DFT analysis.","RSC advances","2026","16","7","6090","6105","10.1039/d5ra08362a","","","0.71073","MoKα","","0.115","0.0616","","","0.1512","0.1847","","","","","","1.028","","","","has coordinates","304853","2026-03-05","07:44:38",""
"7251745","9.444","0.0006","10.394","0.0005","15.2628","0.0009","90","","105.648","0.006","90","","1442.68","0.15","104","2","104","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Cl O5 -","- C16 H13 Cl O5 -","- C64 H52 Cl4 O20 -","4","1","","Manik, Soumen K.; Ali, Sk Asraf; Sepay, Nayim; Deb, Aniruddha; Shit, Manik; Barik, Paritosh; Rath, Jyotirmoy; Maity, Kankan K.; Pal, Sudhir C.; Samanta, Shubhankar; Hazra, Nirmal K.","A regioselective sustainable neat approach to naphtho[2,3-<i>b</i>]thiophene-4,9-dione: detailed mechanistic study and DFT analysis.","RSC advances","2026","16","7","6090","6105","10.1039/d5ra08362a","","","0.71073","MoKα","","0.1422","0.0606","","","0.1094","0.1303","","","","","","1.036","","","","has coordinates","304853","2026-03-05","07:44:38",""
"7251746","7.5517","0.0003","12.573","0.0005","12.5911","0.0004","87.622","0.003","87.637","0.002","87.759","0.003","1192.61","0.08","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C36 H23 N -","- C36 H23 N -","- C72 H46 N2 -","2","1","","Kong, Minwoo; Lee, Ji Hye; Park, Heekyung; Hwang, Hyonseok; Lee, Junseong; Park, Jun Hui; Park, Myung Hwan; Kang, Houng","Effect of <i>para</i>-aryl-substituted <i>N</i>-phenyl groups on the photophysical properties of highly fluorescent dibenzo[<i>c</i>,<i>g</i>]carbazole-based chromophores.","RSC advances","2026","16","7","5887","5893","10.1039/d5ra09166g","","","0.71073","MoKα","","0.1458","0.0621","","","0.1221","0.154","","","","","","0.978","","","","has coordinates,has disorder","304854","2026-03-05","07:45:08",""
"7251747","10.9543","0.0005","16.4575","0.0007","19.2722","0.0008","114.469","0.004","92.108","0.004","92.067","0.004","3155.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H42 Bi3 Br6 Cl15 N18 -","- C30 H42 Bi3 Br6 Cl15 N18 -","- C60 H84 Bi6 Br12 Cl30 N36 -","2","1","","Jridi, Chaima; Elleuch, Nour; Shova, Sergiu; Lhoste, Jerome; Amiard, Frédéric; Boujelbene, Mohamed","A new hybrid bismuth chloride semiconductor (C<sub>5</sub>H<sub>7</sub>BrN<sub>3</sub>)<sub>6</sub>(BiCl<sub>5</sub>)<sub>3</sub>: powder XRD, optical properties, and DFT investigation.","RSC advances","2026","16","7","6299","6313","10.1039/d5ra09478j","","","0.71073","MoKα","","0.1427","0.0658","","","0.1193","0.1485","","","","","","1.014","","","","has coordinates,has disorder","304855","2026-03-05","07:45:34",""
"7251748","5.7931","0.0002","7.3909","0.0002","10.8114","0.0003","98.62","0.002","95.588","0.002","92.568","0.002","454.67","0.02","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C4 H5 Cs N8 O -","- C4 H5 Cs N8 O -","- C8 H10 Cs2 N16 O2 -","2","1","","Shi, Junhao; Liao, Sicheng; Huang, Shiliang; Jiang, Tianyu; Wang, Kangcai; Zhang, Wenquan","Synthesis and structural characterization of the <i>Z</i>-isomer of 1,2-bis(tetrazol-5-yl)ethylene (H<sub>2</sub>bte) <i>via</i> photoinduced isomerization.","RSC advances","2026","16","3","2724","2731","10.1039/d5ra09255h","","x-ray","1.54184","CuKα","","0.0572","0.0538","","","0.143","0.1507","","","","","","1.064","","","","has coordinates","304856","2026-03-05","07:46:35",""
"7251749","3.7983","0.0001","20.4558","0.0002","25.5993","0.0004","90","","90.164","0.001","90","","1988.99","0.06","297.6","0.3","297.6","0.3","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C4 H4 N8 -","- C4 H4 N8 -","- C48 H48 N96 -","12","3","","Shi, Junhao; Liao, Sicheng; Huang, Shiliang; Jiang, Tianyu; Wang, Kangcai; Zhang, Wenquan","Synthesis and structural characterization of the <i>Z</i>-isomer of 1,2-bis(tetrazol-5-yl)ethylene (H<sub>2</sub>bte) <i>via</i> photoinduced isomerization.","RSC advances","2026","16","3","2724","2731","10.1039/d5ra09255h","","","1.54178","CuKα","","0.0754","0.0538","","","0.1513","0.2073","","","","","","1.03","","","","has coordinates","304856","2026-03-05","07:46:35",""
"7251750","5.7806","0.0002","24.5527","0.0005","7.2544","0.0002","90","","97.077","0.002","90","","1021.77","0.05","292.78","0.1","292.78","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H9 N8 Na O3 -","- C4 H9 N8 Na O3 -","- C16 H36 N32 Na4 O12 -","4","1","","Shi, Junhao; Liao, Sicheng; Huang, Shiliang; Jiang, Tianyu; Wang, Kangcai; Zhang, Wenquan","Synthesis and structural characterization of the <i>Z</i>-isomer of 1,2-bis(tetrazol-5-yl)ethylene (H<sub>2</sub>bte) <i>via</i> photoinduced isomerization.","RSC advances","2026","16","3","2724","2731","10.1039/d5ra09255h","","x-ray","1.54184","CuKα","","0.0625","0.0426","","","0.1077","0.1277","","","","","","1.086","","","","has coordinates,has disorder","304856","2026-03-05","07:46:35",""
"7251751","6.1358","0.0002","6.9761","0.0002","11.3456","0.0002","99.452","0.002","102.405","0.002","95.643","0.002","463.34","0.02","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H5 Cs N8 O -","- C4 H5 Cs N8 O -","- C8 H10 Cs2 N16 O2 -","2","1","","Shi, Junhao; Liao, Sicheng; Huang, Shiliang; Jiang, Tianyu; Wang, Kangcai; Zhang, Wenquan","Synthesis and structural characterization of the <i>Z</i>-isomer of 1,2-bis(tetrazol-5-yl)ethylene (H<sub>2</sub>bte) <i>via</i> photoinduced isomerization.","RSC advances","2026","16","3","2724","2731","10.1039/d5ra09255h","","x-ray","1.54184","CuKα","","0.0521","0.0472","","","0.1238","0.1406","","","","","","1.114","","","","has coordinates","304856","2026-03-05","07:46:35",""
"7251752","16.7517","0.0007","10.2858","0.0004","34.5008","0.0016","90","","100.862","0.002","90","","5838.1","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Co N4 O8 S3 -","- C24 H26 Co N4 O8 S3 -","- C192 H208 Co8 N32 O64 S24 -","8","1","","Botelho, Luckerman D. G.; Junior, Henrique C. S.; Guedes, Guilherme P.; Mariano, Davor L.; Gomes, Angelo M.; Nunes, Wallace C.; Marinho, Maria Vanda","Self-assembled isomorphous 2D triangular networks: divergent magnetic relaxation in Co(ii) and Cu(ii).","RSC advances","2026","16","3","2179","2189","10.1039/d5ra06376k","","","0.71073","MoKα","","0.1107","0.0872","","","0.1826","0.1938","","","","","","1.146","","","","has coordinates,has disorder","304857","2026-03-05","07:47:07",""
"7251753","16.6448","0.0008","10.3055","0.0005","34.8408","0.0016","90","","101.442","0.002","90","","5857.6","0.5","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Cu N4 O9 S3 -","- C24 H26 Cu N4 O9 S3 -","- C192 H208 Cu8 N32 O72 S24 -","8","1","","Botelho, Luckerman D. G.; Junior, Henrique C. S.; Guedes, Guilherme P.; Mariano, Davor L.; Gomes, Angelo M.; Nunes, Wallace C.; Marinho, Maria Vanda","Self-assembled isomorphous 2D triangular networks: divergent magnetic relaxation in Co(ii) and Cu(ii).","RSC advances","2026","16","3","2179","2189","10.1039/d5ra06376k","","","0.71073","MoKα","","0.067","0.0594","","","0.1583","0.1648","","","","","","1.033","","","","has coordinates,has disorder","304857","2026-03-05","07:47:07",""
"7251765","6.5661","0.0002","11.9787","0.0003","15.703","0.0006","68.636","0.003","87.69","0.003","77.073","0.003","1119.92","0.07","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H46 F6 N2 Ni O8 -","- C52 H46 F6 N2 Ni O8 -","- C52 H46 F6 N2 Ni O8 -","1","0.5","","Alia, Kamrun Nahar; Debbarma, Bugra Koknarugmani; Nath, Sourav; Roy, Subhadip; Kennedy, Alan R.; Adhikari, Suman; Kumar, Malavika S.; Das, Avijit Kumar; Begum, Samiyara; Mohiuddin, Golam","Crystallographic and computational investigation of a bent-core Schiff base Ni(ii) complex with DNA and protein binding studies","RSC Advances","2026","16","14","12547","12557","10.1039/D5RA07894F","","","1.54184","CuKα","","0.0516","0.0421","","","0.1034","0.1092","","","","","","1.0437","","","","has coordinates,has disorder","304981","2026-03-06","05:45:57",""
"7251781","10.975","0.0001","13.7631","0.0001","10.4977","0.0001","90","","94.709","0.001","90","","1580.33","0.02","99.98","0.1","99.98","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Br N3 S -","- C16 H16 Br N3 S -","- C64 H64 Br4 N12 S4 -","4","1","","Snisha, Kallivalappil; Karthikeyan, Mano Chitra; Bhuvanesh, Nattamai; Arockiam, Antony Joseph Velanganni; Karvembu, Ramasamy","Synthesis of sulfanyl derivatives of 1,2,4-triazoles via an acid catalyzed intramolecular cyclization of isothiosemicarbazones: structural characterization, E/Z isomerism, mechanistic insights and in vitro cytotoxicity","RSC Advances","2026","16","15","13433","13446","10.1039/D6RA00822D","","x-ray","1.54184","CuKα","","0.0356","0.0351","","","0.0953","0.0958","","","","","","1.074","","","","has coordinates","305035","2026-03-11","04:18:43",""
"7251782","9.242","0.0001","4.946","0.0001","17.0656","0.0002","90","","90.838","0.001","90","","780","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H16 N4 O2 S -","- C16 H16 N4 O2 S -","- C32 H32 N8 O4 S2 -","2","1","","Snisha, Kallivalappil; Karthikeyan, Mano Chitra; Bhuvanesh, Nattamai; Arockiam, Antony Joseph Velanganni; Karvembu, Ramasamy","Synthesis of sulfanyl derivatives of 1,2,4-triazoles via an acid catalyzed intramolecular cyclization of isothiosemicarbazones: structural characterization, E/Z isomerism, mechanistic insights and in vitro cytotoxicity","RSC Advances","2026","16","15","13433","13446","10.1039/D6RA00822D","","x-ray","1.54184","CuKα","","0.0239","0.0235","","","0.0638","0.0642","","","","","","1.054","","","","has coordinates","305035","2026-03-11","04:18:44",""
"7251783","24.8331","0.0002","11.787","0.0001","10.0774","0.0001","90","","92.839","0.001","90","","2946.11","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N3 S -","- C16 H17 N3 S -","- C128 H136 N24 S8 -","8","2","","Snisha, Kallivalappil; Karthikeyan, Mano Chitra; Bhuvanesh, Nattamai; Arockiam, Antony Joseph Velanganni; Karvembu, Ramasamy","Synthesis of sulfanyl derivatives of 1,2,4-triazoles via an acid catalyzed intramolecular cyclization of isothiosemicarbazones: structural characterization, E/Z isomerism, mechanistic insights and in vitro cytotoxicity","RSC Advances","2026","16","15","13433","13446","10.1039/D6RA00822D","","x-ray","1.54184","CuKα","","0.0377","0.0351","","","0.0946","0.0968","","","","","","1.082","","","","has coordinates","305035","2026-03-11","04:18:44",""
"7251784","35.0245","0.0003","8.1813","0.0001","10.7936","0.0001","90","","93.119","0.001","90","","3088.28","0.05","100","0.4","100","0.4","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 N3 O S -","- C17 H17 N3 O S -","- C136 H136 N24 O8 S8 -","8","1","","Snisha, Kallivalappil; Karthikeyan, Mano Chitra; Bhuvanesh, Nattamai; Arockiam, Antony Joseph Velanganni; Karvembu, Ramasamy","Synthesis of sulfanyl derivatives of 1,2,4-triazoles via an acid catalyzed intramolecular cyclization of isothiosemicarbazones: structural characterization, E/Z isomerism, mechanistic insights and in vitro cytotoxicity","RSC Advances","2026","16","15","13433","13446","10.1039/D6RA00822D","","x-ray","1.54184","CuKα","","0.0381","0.0367","","","0.0972","0.0982","","","","","","1.108","","","","has coordinates","305035","2026-03-11","04:18:44",""
"7251785","18.0524","0.0004","7.4997","0.0002","11.6915","0.0002","90","","106.138","0.002","90","","1520.51","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N4 O2 S -","- C16 H14 N4 O2 S -","- C64 H56 N16 O8 S4 -","4","1","","Snisha, Kallivalappil; Karthikeyan, Mano Chitra; Bhuvanesh, Nattamai; Arockiam, Antony Joseph Velanganni; Karvembu, Ramasamy","Synthesis of sulfanyl derivatives of 1,2,4-triazoles via an acid catalyzed intramolecular cyclization of isothiosemicarbazones: structural characterization, E/Z isomerism, mechanistic insights and in vitro cytotoxicity","RSC Advances","2026","16","15","13433","13446","10.1039/D6RA00822D","","x-ray","1.54184","CuKα","","0.0588","0.0549","","","0.1547","0.1592","","","","","","1.05","","","","has coordinates","305035","2026-03-11","04:18:45",""
"7251786","6.8129","0.0001","9.1551","0.0001","15.645","0.0001","83.898","0.001","78.195","0.001","71.032","0.001","902.482","0.019","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H19 Br N4 O3 S -","- C16 H19 Br N4 O3 S -","- C32 H38 Br2 N8 O6 S2 -","2","1","","Snisha, Kallivalappil; Karthikeyan, Mano Chitra; Bhuvanesh, Nattamai; Arockiam, Antony Joseph Velanganni; Karvembu, Ramasamy","Synthesis of sulfanyl derivatives of 1,2,4-triazoles via an acid catalyzed intramolecular cyclization of isothiosemicarbazones: structural characterization, E/Z isomerism, mechanistic insights and in vitro cytotoxicity","RSC Advances","2026","16","15","13433","13446","10.1039/D6RA00822D","","x-ray","1.54184","CuKα","","0.0226","0.0225","","","0.0596","0.0597","","","","","","1.067","","","","has coordinates","305035","2026-03-11","04:18:45",""
"7251787","11.9421","0.0002","15.4721","0.0002","15.7074","0.0002","86.006","0.001","89.785","0.001","70.514","0.001","2728.78","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C62.5 H50 Cl Ir2 N6 O6 -","- C61 H47 Ir2 N6 O3 -","- C122 H94 Ir4 N12 O6 -","2","1","","Mausami,; Trivedi, Harshita; Patra, Ranjan; Behere, Ravi Prakash; Kuila, Biplab; Singh Patel, Sandeep Kumar; Pandey, Mrituanjay D.; Maiti, Biswajit; Mahanti, Bani","Cyclometalated Ir(iii) complexes bridged by µ-OH and µ-3,5-bis(4-methoxyphenyl)-pyrazole ligands","RSC Advances","2026","16","15","13358","13368","10.1039/D6RA00878J","","x-ray","1.54184","CuKα","","0.066","0.0615","","","0.1778","0.184","","","","","","1.076","","","","has coordinates,has disorder","305036","2026-03-11","04:19:11",""
"7251796","10.3703","0.0003","20.9368","0.0007","18.2449","0.0005","90","","90.782","0.001","90","","3961","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 Cl2 Mn2 N4 O6 S2 -","- C38 H34 Cl2 Mn2 N4 O6 S2 -","- C152 H136 Cl8 Mn8 N16 O24 S8 -","4","1","","Das, Devangana; Saravanan, Nivas; Kumar, Abhishek; Krishnaswamy, Shobhana; Dhayalan, Arunkumar; Manimaran, Bala.","Manganese(i) based NN∩SS bis-chelated homo-binuclear metallacycles: synthesis, spectral, crystallographic, anticancer potential and molecular docking studies","RSC Advances","2026","16","15","13812","13820","10.1039/D6RA00337K","","","0.71073","MoKα","","0.0545","0.0443","","","0.096","0.1003","","","","","","1.1","","","","has coordinates","305068","2026-03-13","02:30:58",""
"7251814","10.101","0.003","11.843","0.003","7.0691","0.0019","90","","105.308","0.006","90","","815.6","0.4","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H7 Cu N O6 -","- C7 H7 Cu N O6 -","- C28 H28 Cu4 N4 O24 -","4","0.5","","Shahbaz, Muhammad; Riasat, Madiha; Ullah, Ghulam; Mushtaq, Muhammad Waheed; Saeed, Maham; Shahzad, Sundas; Shahzad, Ayesha; Mustafa, Zeeshan; Şahin, Onur; Sharif, Shahzad","Tuning the electrochemical performance of a copper-based 2D rectangular layered metal organic framework by incorporating reduced graphene oxide and polyaniline","RSC Advances","2026","16","17","15036","15050","10.1039/D5RA05415J","","","0.71073","MoKα","","0.0414","0.0405","","","0.1144","0.1158","","","","","","1.103","","","","has coordinates","305122","2026-03-18","02:26:00",""
"9000005","3.37","","4.44","","5.39","","90","","90","","90","","80.649","","","","","","","","","","","","Joplin, Missouri, USA","2","P m n n","-P 2n 2","58","","","Marcasite","- Fe S2 -","- Fe S2 -","- Fe2 S4 -","2","0.25","","Buerger, M. J.","The crystal structure of marcasite","American Mineralogist","1931","16","","361","395","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000006","9.82","","9.82","","6.36","","90","","90","","120","","531.142","","","","","","","","","","","","","3","P 3 2 1","P 3 2""","150","Potassium dithionate","","","- K2 O6 S2 -","- K2 O6 S2 -","- K6 O18 S6 -","3","0.5","","Huggins, M. L.; Frank, G. O.","The crystal structure of potassium dithionate, K2S2O6 Note: coordinates revised according to Am Min 18 (1933) 455-457","American Mineralogist","1931","16","","580","591","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000007","10","","10","","6.3","","90","","90","","120","","545.596","","","","","","","","","","","","","3","P 3 2 1","P 3 2""","150","Rubidium dithionate","","","- O6 Rb2 S2 -","- O6 Rb2 S2 -","- O18 Rb6 S6 -","3","0.5","","Huggins, M. L.; Frank, G. O.","The crystal structure of potassium dithionate, K2S2O6","American Mineralogist","1931","16","","580","591","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9004124","9.923","","18.134","","5.352","","90","","104.84","","90","","930.936","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Ferritaramite","- Al1.84 Ca1.178 Fe3.736 H2 K0.494 Mg0.885 Mn0.185 Na1.582 O24 Si6.2 Ti0.186 -","- Al1.84 Ca1.178 Fe3.736 H2 K0.494 Mg0.885 Mn0.185 Na1.582 O24 Si6.2 Ti0.186 -","- Al3.68 Ca2.356 Fe7.472 H4 K0.988 Mg1.77 Mn0.37 Na3.164 O48 Si12.4 Ti0.372 -","2","0.25","","Hawthorne, F. C.; Grundy, H. D.","The crystal chemistry of the amphiboles. VII. Crystal structure and site chemistry of potassian ferri-taramite","The Canadian Mineralogist","1978","16","","53","62","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:20",""
"9004125","9.152","","9.152","","9.152","","68.99","","68.99","","68.99","","644.342","","","","","","","","","","","","","8","R -3 :R","-P 3*","148","","","Landauite","- Fe2.16 K0.15 Mn Na0.7 O38 Pb0.15 Ti15.84 Zn2 -","- Fe2.16 K0.15 Mn Na0.7 O38 Pb0.15 Ti15.84 Zn2 -","- Fe2.16 K0.15 Mn Na0.7 O38 Pb0.15 Ti15.84 Zn2 -","1","0.166667","","Grey, I. E.; Gatehouse, B. M.","The crystal structure of landauite, Na[MnZn2(Ti,Fe)6Ti12]O38","The Canadian Mineralogist","1978","16","","63","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:06",""
"9004126","11.769","","6.684","","8.235","","90","","102.59","","90","","632.222","","","","","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","Hydroboracite","- B6 Ca H12 Mg O17 -","- B6 Ca H12 Mg O17 -","- B12 Ca2 H24 Mg2 O34 -","2","0.5","","Sabelli, C.; Stoppioni, A.","Refinement of the crystal structure of hydroboracite","The Canadian Mineralogist","1978","16","","75","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:20",""
"9004127","13.27","","13.91","","9.73","","90","","90","","90","","1796.02","","","","","","","","","","","","","6","C c m 21","C 2c -2c","36","","","Caysichite-(Y)","- C3 H8.5 Ca1.5 O23 Si4 Y2.5 -","- C3 H7.5 Ca1.5 O23 Si4 Y2.5 -","- C12 H30 Ca6 O92 Si16 Y10 -","4","0.5","","Mellini, M.; Merlino, S.","Caysichite: A double crankshaft chain structure","The Canadian Mineralogist","1978","16","","81","88","","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:43",""
"9004128","5.427","","5.427","","10.871","","90","","90","","90","","320.176","","","","","","","","","","","","","6","I -4","I -4","82","","","Kesterite","- Cd0.01 Cu2 Fe0.28 S4 Sn Zn0.71 -","- Cd0.01 Cu2 Fe0.28 S4 Sn Zn0.71 -","- Cd0.02 Cu4 Fe0.56 S8 Sn2 Zn1.42 -","2","0.25","","Hall, S. R.; Szymanski, J. T.; Stewart, J. M.","Kesterite, Cu2(Zn,Fe)SnS4, and stannite, Cu2(Fe,Zn)SnS4, structurally similar but distinct minerals","The Canadian Mineralogist","1978","16","","131","137","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9004129","5.449","","5.449","","10.757","","90","","90","","90","","319.393","","","","","","","","","","","","","6","I -4 2 m","I -4 2","121","","","Stannite","- Cd0.02 Cu2 Fe0.8 S4 Sn Zn0.18 -","- Cd0.02 Cu2 Fe0.8 S4 Sn Zn0.18 -","- Cd0.04 Cu4 Fe1.6 S8 Sn2 Zn0.36 -","2","0.125","","Hall, S. R.; Szymanski, J. T.; Stewart, J. M.","Kesterite, Cu2(Zn,Fe)SnS4, and stannite, Cu2(Fe,Zn)SnS4, structurally similar but distinct minerals","The Canadian Mineralogist","1978","16","","131","137","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004130","5.487","","5.487","","10.848","","90","","90","","90","","326.603","","","","","","","","","","","","","7","I -4 2 m","I -4 2","121","","","Cernyite","- Cd0.37 Cu2 Fe0.29 Mn0.01 S4 Sn Zn0.33 -","- Cd0.37 Cu2 Fe0.29 Mn0.01 S4 Sn Zn0.33 -","- Cd0.74 Cu4 Fe0.58 Mn0.02 S8 Sn2 Zn0.66 -","2","0.125","","Szymanski, J. T.","The crystal structure of cernyite, Cu2CdSnS4, a cadmium analogue of stannite Note: z-coordinate for S atom changed in order to reproduce bond lengths.","The Canadian Mineralogist","1978","16","","147","151","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004131","8.062","","8.384","","5.881","","90","","90","","90","","397.507","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","Libethenite","- Cu2 H O5 P -","- Cu2 H O5 P -","- Cu8 H4 O20 P4 -","4","0.5","","Cordsen, A.","A crystal-structure refinement of libethenite","The Canadian Mineralogist","1978","16","","153","157","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:20",""
"9004132","9.811","","18.013","","5.326","","90","","103.68","","90","","914.539","","","","","","","","","","","","Pikes Peak, Colorado, USA","11","C 1 2/m 1","-C 2y","12","","","Riebeckite","- Al0.354 Ca0.014 F1.253 Fe4.36 H0.892 K0.29 Li0.344 Mn0.182 Na2.024 O22.892 Si7.76 -","- Al0.354 Ca0.014 F1.253 Fe4.36 H0.892 K0.29 Li0.344 Mn0.182 Na2.024 O22.892 Si7.76 -","- Al0.708 Ca0.028 F2.506 Fe8.72 H1.784 K0.58 Li0.688 Mn0.364 Na4.048 O45.784 Si15.52 -","2","0.25","","Hawthorne, F. C.","The crystal chemistry of the amphiboles. VIII. The crystal structure and site chemistry of fluor-riebeckite","The Canadian Mineralogist","1978","16","","187","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:20",""
"9004133","10.9806","","10.9806","","10.9806","","90","","90","","90","","1323.97","","","","458.15","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","Bornite","- Cu1.25 Fe0.25 S -","- Cu1.24999 Fe0.24999 S -","- Cu39.9997 Fe7.99968 S32 -","32","0.166667","","Kanazawa, Y.; Koto, K.; Morimoto, N.","Bornite (Cu5FeS4): Stability and crystal structure of the intermediate form Sample: T = 185 degree C","The Canadian Mineralogist","1978","16","","397","404","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004134","18.357","","12.591","","6.068","","90","","90","","90","","1402.52","","","","","","","","","","","","","5","P n n m","-P 2 2n","58","","","Orthopinakiolite","- B8 Fe1.76 Mg11.384 Mn10.446 O40 -","- B8 Fe1.76 Mg11.384 Mn10.446 O40 -","- B16 Fe3.52 Mg22.768 Mn20.892 O80 -","2","0.25","","Takeuchi, Y.; Haga, N.; Kato, T.; Miura, Y.","Orthopinakiolite, Me2.95O2[BO3]: its crystal structure and relationship to pinakiolite, Me2.90O2[BO3] Note: z-coordinate of O9 changed. y-coordinate of M7* changed.","The Canadian Mineralogist","1978","16","","475","485","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9005636","6.929","","7.129","","6.697","","90","","104.46","","90","","320.331","","","","","","","","","","","","Kesebol Mn-Fe-Cu deposit, Vastra Gotaland, Sweden","8","P 1 21/n 1","-P 2yn","14","","","Gasparite-(Ce)","- As0.71 Ca0.01 Ce0.77 La0.1 Nd0.1 O4 P0.29 Pr0.02 -","- As0.71 Ca0.01 Ce0.77 La0.1 Nd0.1 O4 P0.29 Pr0.02 -","- As2.84 Ca0.04 Ce3.08 La0.4 Nd0.4 O16 P1.16 Pr0.08 -","4","1","","Kolitsch, U.; Holtstam, D.; Gatedal, K.","Crystal chemistry of REEXO4 compounds (X = P, As, V). I. Paragenesis and crystal structure of phosphatian gasparite-(Ce) from the Kesebol Mn-Fe-Cu deposit, Vastra Gotaland, Sweden","European Journal of Mineralogy","2004","16","","111","116","10.1127/0935-1221/2004/0016-0111","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005637","16.882","","16.882","","5.2251","","90","","90","","120","","1289.65","","","","","","","","","","","","Camporrells-Estopanya area, Huesca, Spain","9","P 3 c 1","P 3 -2""c","158","","","Aerinite","- C0.59 H18 Al3.05 Ca2.52 Fe1.36 Mg0.5 Na0.24 O31.77 Si6 -","- C0.59 H21 Al3.05 Ca2.52 Fe1.36 Mg0.5 Na0.24 O33.27 Si6 -","- C1.18 H42 Al6.1 Ca5.04 Fe2.72 Mg Na0.48 O66.54 Si12 -","2","0.333333","","Rius, J.; Elkaim, E.; Torrelles, X.","Structure determination of the blue mineral pigment aerinite from synchrotron powder diffraction data: The solution of an old riddle","European Journal of Mineralogy","2004","16","","127","134","10.1127/0935-1221/2004/0016-0127","","","","","","","","","","","","","","","","","","","","","has coordinates","285096","2023-07-08","08:53:35",""
"9005638","12.6216","","12.6216","","5.1293","","90","","90","","120","","707.648","","","","","","","","","","","","Cava Satom, Cameroon","8","P 63","P 6c","173","","","Cancrinite","- C0.713 H3.54 Al3 Ca0.435 Na3.565 O15.279 S0.035 Si3 -","- C0.713 H1.99998 Al3 Ca0.435 Na3.565 O15.279 S0.035 Si3 -","- C1.426 H3.99996 Al6 Ca0.87 Na7.13 O30.558 S0.07 Si6 -","2","0.333333","","Ballirano, P.; Maras, A.","The crystal structure of a ""disordered"" cancrinite","European Journal of Mineralogy","2004","16","","135","141","10.1127/0935-1221/2004/0016-0135","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005639","11.207","","11.207","","8.166","","90","","90","","90","","1025.62","","","","","","","","","","","","","5","I 4/m","-I 4","87","","","","- F K2 O10 Sc Si4 -","- F K2 O10 Sc Si4 -","- F4 K8 O40 Sc4 Si16 -","4","0.25","","Kolitsch, U.; Tillmanns, E.","The structural relation between the new synthetic silicate K2ScFSi4O10 and narsarsukite, Na2(Ti,Fe3+)(O,F)Si4O10","European Journal of Mineralogy","2004","16","","143","149","10.1127/0935-1221/2004/0016-0143","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005640","5.3444","","3.03","","10.506","","90","","94.46","","90","","169.614","","","","","","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","Alumino-magnesiohulsite","- Al1.3 B2 Fe0.7 Mg3.7 O10 Sn0.3 -","- Al1.3 B2 Fe0.7 Mg3.7 O10 Sn0.3 -","- Al1.3 B2 Fe0.7 Mg3.7 O10 Sn0.3 -","1","0.25","","Pertsev N N; Schreyer W; Armbruster T; Bernhardt H J; Medenbach O","Alumino-magnesiohulsite, a new member of the hulsite group, in kotoite marble from east of Verkhoyansk, Sakha-Yakutia, Russia Locality: east of Verkhoyansk, Sakha-Yakutia, Russia","European Journal of Mineralogy","2004","16","","151","161","10.1127/0935-1221/2004/0016-0151","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:20",""
"9005641","19.647","","10.087","","9.963","","90","","90","","90","","1974.46","","","","","","","","","","","","Tsumeb, Namibia","6","P n m a","-P 2ac 2n","62","","","Calcioandyrobertsite","- As5 Ca Cu5 H6 K O22 -","- As5 Ca Cu5 H6 K O22 -","- As20 Ca4 Cu20 H24 K4 O88 -","4","0.5","","Sarp, H.; Cerny, R.","Calcio-andyrobertsite-2O, KCaCu5(AsO4)4[AsO2(OH)2]*2H2O: its description, crystal structure and relation with calcio-andyrobertsite-1M Note: polytype 2O","European Journal of Mineralogy","2004","16","","163","169","10.1127/0935-1221/2004/0016-0163","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9005642","9.186","","9.186","","9.186","","68.82","","68.82","","68.82","","649.784","","","","","","","","","","","","the gneiss of the Hercynian Massif of Argentera at Sambuco, Italy","9","R -3 :R","-P 3*","148","","","Gramaccioliite-(Y)","- Ce0.12 Fe8 Mn0.34 O38 Pb0.6 Sr0.3 Ti12 U0.06 Y0.48 -","- Ce0.12 Fe8 Mn0.34 O38 Pb0.6 Sr0.3 Ti12 U0.06 Y0.48 -","- Ce0.12 Fe8 Mn0.34 O38 Pb0.6 Sr0.3 Ti12 U0.06 Y0.48 -","1","0.166667","","Orlandi, P.; Pasero, M.; Rotiroti, N.; Olmi, F.; Demartin, F.; Moelo, Y.","Gramaccioliite-(Y), a new mineral of the crichtonite group from Stura Valley, Piedmont, Italy Locality: the gneiss of the Hercynian Massif of Argentera at Sambuco, Italy","European Journal of Mineralogy","2004","16","","171","175","10.1127/0935-1221/2004/0016-0171","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005643","9.869","","17.933","","5.322","","90","","105.29","","90","","908.552","","","","","","","","","","","","Kasuga-mura, Gifu Prefecture, central Japan","12","C 1 2/m 1","-C 2y","12","","","Magnesiosadanagaite","- Al3.58 Ca1.95 F0.13 Fe0.82 H1.87 K0.09 Mg2.9 Mn0.02 Na0.94 O23.87 Si5.4 Ti0.3 -","- Al3.58 Ca1.95 F0.13 Fe0.82 H1.87 K0.09 Mg2.9 Mn0.02 Na0.94 O23.87 Si5.4 Ti0.3 -","- Al7.16 Ca3.9 F0.26 Fe1.64 H3.74 K0.18 Mg5.8 Mn0.04 Na1.88 O47.74 Si10.8 Ti0.6 -","2","0.25","","Banno, Y.; Miyawaki, R.; Matsubara, S.; Makino, K.; Bunno, M.; Yamada, S.; Kamiya, T.","Magnesiosadanagaite, a new member of the amphibole group from Kasuga-mura, Gifu Prefecture, central Japan Sample: GSJ M35151-1","European Journal of Mineralogy","2004","16","","177","183","10.1127/0935-1221/2004/0016-0177","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005644","9.906","","17.971","","5.319","","90","","105.48","","90","","912.542","","","","","","","","","","","","Kasuga-mura, Gifu Prefecture, central Japan","13","C 1 2/m 1","-C 2y","12","","","Magnesiosadanagaite","- Al3.4 Ca1.97 Cl0.03 F0.07 Fe0.78 H1.9 K0.27 Mg3.07 Mn0.02 Na0.74 O23.9 Si5.46 Ti0.29 -","- Al3.4 Ca1.97 Cl0.03 F0.07 Fe0.78 H1.9 K0.27 Mg3.07 Mn0.02 Na0.74 O23.9 Si5.46 Ti0.29 -","- Al6.8 Ca3.94 Cl0.06 F0.14 Fe1.56 H3.8 K0.54 Mg6.14 Mn0.04 Na1.48 O47.8 Si10.92 Ti0.58 -","2","0.25","","Banno, Y.; Miyawaki, R.; Matsubara, S.; Makino, K.; Bunno, M.; Yamada, S.; Kamiya, T.","Magnesiosadanagaite, a new member of the amphibole group from Kasuga-mura, Gifu Prefecture, central Japan Sample: GSJ M35151-2","European Journal of Mineralogy","2004","16","","177","183","10.1127/0935-1221/2004/0016-0177","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005645","5.716","","5.716","","55.444","","90","","90","","120","","1568.81","","","","","","","","","","","","Egbe District, Kabba Province, Nigeria","10","R -3 :H","-R 3","148","","","Ferronigerite-6N6S","- Al14.784 Fe1.97 H2 Li0.576 Mg0.258 Mn0.034 O32 Sn1.736 Ti0.264 Zn2.102 -","- Al14.784 Fe1.97 H2 Li0.576 Mg0.258 Mn0.034 O32 Sn1.736 Ti0.264 Zn2.102 -","- Al44.352 Fe5.91 H6 Li1.728 Mg0.774 Mn0.102 O96 Sn5.208 Ti0.792 Zn6.306 -","3","0.166667","","Armbruster, T.; Feenstra, A.","Lithium in nigerite-group minerals Note: sample #N17471 Note: X-coordinate of O7 adjusted to make the four M8-O7 bonds equivalent","European Journal of Mineralogy","2004","16","","247","254","10.1127/0935-1221/2004/0016-0247","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005646","5.7109","","5.7109","","55.373","","90","","90","","120","","1564","","","","","","","","","","","","abandoned tin mine Tsomtaub, between Omaruru and Uis, Namibia","10","R -3 :H","-R 3","148","","","Ferronigerite-6N6S","- Al14.862 Fe1.95 H2 Li0.66 Mg0.24 Mn0.06 O32 Sn1.606 Ti0.394 Zn1.988 -","- Al14.862 Fe1.95 H2 Li0.66 Mg0.24 Mn0.06 O32 Sn1.606 Ti0.394 Zn1.988 -","- Al44.586 Fe5.85 H6 Li1.98 Mg0.72 Mn0.18 O96 Sn4.818 Ti1.182 Zn5.964 -","3","0.166667","","Armbruster, T.; Feenstra, A.","Lithium in nigerite-group minerals","European Journal of Mineralogy","2004","16","","247","254","10.1127/0935-1221/2004/0016-0247","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005647","15.961","","15.961","","7.2214","","90","","90","","120","","1593.21","","","","","","","","","","","","Olkhon (Lake Baikal), Siberia","13","R 3 m :H","R 3 -2""","160","","","Hydroxy-dravite","- Al5.37 B3 Ca0.246 Cr0.3 F0.081 H0.536 K0.012 Mg2.55 Na0.457 O30.919 Si5.952 Ti0.024 V0.804 -","- Al5.37 B3 Ca0.246 Cr0.3 F0.081 H0.536 K0.012 Mg2.55 Na0.457 O30.919 Si5.952 Ti0.024 V0.804 -","- Al16.11 B9 Ca0.738 Cr0.9 F0.243 H1.608 K0.036 Mg7.65 Na1.371 O92.757 Si17.856 Ti0.072 V2.412 -","3","0.166667","","Bosi, F.; Lucchesi, S.","Crystal chemistry of the schorl-dravite series Note: Tourmaline sample TM507c","European Journal of Mineralogy","2004","16","","335","344","10.1127/0935-1221/2004/0016-0335","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9005648","15.9521","","15.9521","","7.2167","","90","","90","","120","","1590.4","","","","","","","","","","","","Olkhon (Lake Baikal), Siberia","14","R 3 m :H","R 3 -2""","160","","","Hydroxy-dravite","- Al5.628 B3 Ca0.335 Cr0.159 F0.054 Fe0.003 H0.507 K0.01 Mg2.715 Na0.479 O30.946 Si5.952 Ti0.039 V0.504 -","- Al5.628 B3 Ca0.335 Cr0.159 F0.054 Fe0.003 H0.507 K0.01 Mg2.715 Na0.479 O30.946 Si5.952 Ti0.039 V0.504 -","- Al16.884 B9 Ca1.005 Cr0.477 F0.162 Fe0.009 H1.521 K0.03 Mg8.145 Na1.437 O92.838 Si17.856 Ti0.117 V1.512 -","3","0.166667","","Bosi, F.; Lucchesi, S.","Crystal chemistry of the schorl-dravite series Note: Tourmaline TM507e","European Journal of Mineralogy","2004","16","","335","344","10.1127/0935-1221/2004/0016-0335","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9005649","15.9433","","15.9433","","7.2095","","90","","90","","120","","1587.06","","","","","","","","","","","","Beresov Mine, Siberia","15","R 3 m :H","R 3 -2""","160","","","Hydroxy-dravite","- Al6.228 B3 Ca0.077 F0.004 Fe0.6 H0.632 K0.004 Mg2.085 Mn0.003 Na0.751 O30.996 Si5.988 Ti0.084 V0.003 Zn0.009 -","- Al6.228 B3 Ca0.077 F0.004 Fe0.6 H0.632 K0.004 Mg2.085 Mn0.003 Na0.751 O30.996 Si5.988 Ti0.084 V0.003 Zn0.009 -","- Al18.684 B9 Ca0.231 F0.012 Fe1.8 H1.896 K0.012 Mg6.255 Mn0.009 Na2.253 O92.988 Si17.964 Ti0.252 V0.009 Zn0.027 -","3","0.166667","","Bosi, F.; Lucchesi, S.","Crystal chemistry of the schorl-dravite series Note: Tourmaline TM235a","European Journal of Mineralogy","2004","16","","335","344","10.1127/0935-1221/2004/0016-0335","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9005650","15.9388","","15.9388","","7.205","","90","","90","","120","","1585.17","","","","","","","","","","","","Beresov Mine, Siberia","15","R 3 m :H","R 3 -2""","160","","","Hydroxy-dravite","- Al6.303 B3 Ca0.094 Cr0.003 F0.046 Fe0.576 H0.572 K0.003 Mg2.064 Na0.724 O30.954 Si5.982 Ti0.063 V0.003 Zn0.012 -","- Al6.303 B3 Ca0.094 Cr0.003 F0.046 Fe0.576 H0.572 K0.003 Mg2.064 Na0.724 O30.954 Si5.982 Ti0.063 V0.003 Zn0.012 -","- Al18.909 B9 Ca0.282 Cr0.009 F0.138 Fe1.728 H1.716 K0.009 Mg6.192 Na2.172 O92.862 Si17.946 Ti0.189 V0.009 Zn0.036 -","3","0.166667","","Bosi, F.; Lucchesi, S.","Crystal chemistry of the schorl-dravite series Note: Tourmaline TM235b","European Journal of Mineralogy","2004","16","","335","344","10.1127/0935-1221/2004/0016-0335","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9005651","15.9633","","15.9633","","7.1942","","90","","90","","120","","1587.66","","","","","","","","","","","","Haddam, Connecticut, U.S.A.","16","R 3 m :H","R 3 -2""","160","","","Hydroxy-dravite","- Al6.198 B3 Ca0.257 Cr0.009 F0.126 Fe0.834 H0.47 K0.002 Mg2.013 Mn0.003 Na0.558 O30.874 Si5.856 Ti0.054 V0.009 Zn0.009 -","- Al6.198 B3 Ca0.257 Cr0.009 F0.126 Fe0.834 H0.47 K0.002 Mg2.013 Mn0.003 Na0.558 O30.874 Si5.856 Ti0.054 V0.009 Zn0.009 -","- Al18.594 B9 Ca0.771 Cr0.027 F0.378 Fe2.502 H1.41 K0.006 Mg6.039 Mn0.009 Na1.674 O92.622 Si17.568 Ti0.162 V0.027 Zn0.027 -","3","0.166667","","Bosi, F.; Lucchesi, S.","Crystal chemistry of the schorl-dravite series Note: Tourmaline TM112a","European Journal of Mineralogy","2004","16","","335","344","10.1127/0935-1221/2004/0016-0335","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9005652","15.9636","","15.9636","","7.1911","","90","","90","","120","","1587.04","","","","","","","","","","","","Haddam, Connecticut, U.S.A.","15","R 3 m :H","R 3 -2""","160","","","Oxy-dravite","- Al6.198 B3 Ca0.263 Cr0.015 F0.06 Fe0.801 H0.469 K0.003 Mg2.034 Mn0.009 Na0.559 O30.94 Si5.88 Ti0.06 V0.009 -","- Al6.198 B3 Ca0.263 Cr0.015 F0.06 Fe0.801 H0.469 K0.003 Mg2.034 Mn0.009 Na0.559 O30.94 Si5.88 Ti0.06 V0.009 -","- Al18.594 B9 Ca0.789 Cr0.045 F0.18 Fe2.403 H1.407 K0.009 Mg6.102 Mn0.027 Na1.677 O92.82 Si17.64 Ti0.18 V0.027 -","3","0.166667","","Bosi, F.; Lucchesi, S.","Crystal chemistry of the schorl-dravite series Note: Tourmaline TM112c","European Journal of Mineralogy","2004","16","","335","344","10.1127/0935-1221/2004/0016-0335","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9005653","15.9355","","15.9355","","7.2002","","90","","90","","120","","1583.46","","","","","","","","","","","","Zillerthal, Tyrol, Austria","14","R 3 m :H","R 3 -2""","160","","","Hydroxy-dravite","- Al6.387 B3 Ca0.099 F0.004 Fe0.486 H0.633 K0.004 Mg2.151 Na0.714 O30.995 Si5.922 Ti0.039 V0.003 Zn0.012 -","- Al6.387 B3 Ca0.099 F0.004 Fe0.486 H0.633 K0.004 Mg2.151 Na0.714 O30.995 Si5.922 Ti0.039 V0.003 Zn0.012 -","- Al19.161 B9 Ca0.297 F0.012 Fe1.458 H1.899 K0.012 Mg6.453 Na2.142 O92.985 Si17.766 Ti0.117 V0.009 Zn0.036 -","3","0.166667","","Bosi, F.; Lucchesi, S.","Crystal chemistry of the schorl-dravite series Note: Tourmaline TM233g","European Journal of Mineralogy","2004","16","","335","344","10.1127/0935-1221/2004/0016-0335","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9005654","15.9267","","15.9267","","7.1991","","90","","90","","120","","1581.47","","","","","","","","","","","","Kwale, Mombasa, Kenya","16","R 3 m :H","R 3 -2""","160","","","Oxy-dravite","- Al6.213 B3 Ca0.007 Cr0.006 F0.021 Fe0.54 H0.405 K0.011 Mg2.208 Mn0.003 Na0.742 O30.978 Si6 Ti0.021 V0.003 Zn0.003 -","- Al6.213 B3 Ca0.007 Cr0.006 F0.021 Fe0.54 H0.405 K0.011 Mg2.208 Mn0.003 Na0.742 O30.978 Si6 Ti0.021 V0.003 Zn0.003 -","- Al18.639 B9 Ca0.021 Cr0.018 F0.063 Fe1.62 H1.215 K0.033 Mg6.624 Mn0.009 Na2.226 O92.934 Si18 Ti0.063 V0.009 Zn0.009 -","3","0.166667","","Bosi, F.; Lucchesi, S.","Crystal chemistry of the schorl-dravite series Note: Tourmaline TM501e","European Journal of Mineralogy","2004","16","","335","344","10.1127/0935-1221/2004/0016-0335","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9005655","15.9391","","15.9391","","7.1515","","90","","90","","120","","1573.46","","","","","","","","","","","","Cooma, New South Wales, Australia","15","R 3 m :H","R 3 -2""","160","","","Oxy-schorl","- Al6.981 B3 Ca0.01 F0.038 Fe1.365 H0.395 K0.006 Mg0.612 Mn0.054 Na0.451 O30.963 Si5.952 Ti0.027 V0.003 Zn0.012 -","- Al6.981 B3 Ca0.01 F0.038 Fe1.365 H0.395 K0.006 Mg0.612 Mn0.054 Na0.451 O30.963 Si5.952 Ti0.027 V0.003 Zn0.012 -","- Al20.943 B9 Ca0.03 F0.114 Fe4.095 H1.185 K0.018 Mg1.836 Mn0.162 Na1.353 O92.889 Si17.856 Ti0.081 V0.009 Zn0.036 -","3","0.166667","","Bosi, F.; Lucchesi, S.","Crystal chemistry of the schorl-dravite series Note: Tourmaline TM84a","European Journal of Mineralogy","2004","16","","335","344","10.1127/0935-1221/2004/0016-0335","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9005656","15.9856","","15.9856","","7.184","","90","","90","","120","","1589.84","","","","","","","","","","","","Bovey Tracy, Devonshire, England","14","R 3 m :H","R 3 -2""","160","","","Hydroxy-schorl","- Al6.3 B3 Ca0.093 F0.205 Fe1.734 H0.443 K0.009 Mg0.975 Mn0.012 Na0.682 O30.795 Si5.874 Ti0.081 Zn0.015 -","- Al6.3 B3 Ca0.093 F0.205 Fe1.734 H0.443 K0.009 Mg0.975 Mn0.012 Na0.682 O30.795 Si5.874 Ti0.081 Zn0.015 -","- Al18.9 B9 Ca0.279 F0.615 Fe5.202 H1.329 K0.027 Mg2.925 Mn0.036 Na2.046 O92.385 Si17.622 Ti0.243 Zn0.045 -","3","0.166667","","Bosi, F.; Lucchesi, S.","Crystal chemistry of the schorl-dravite series Note: TourmalineTM60e","European Journal of Mineralogy","2004","16","","335","344","10.1127/0935-1221/2004/0016-0335","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9005657","15.9541","","15.9541","","7.2035","","90","","90","","120","","1587.88","","","","","","","","","","","","Arendal, Norway","15","R 3 m :H","R 3 -2""","160","","","Hydroxy-dravite","- Al6.111 B3 Ca0.11 F0.02 Fe0.783 H0.618 K0.01 Mg2.088 Mn0.006 Na0.677 O30.98 Si5.958 Ti0.042 V0.006 Zn0.009 -","- Al6.111 B3 Ca0.11 F0.02 Fe0.783 H0.618 K0.01 Mg2.088 Mn0.006 Na0.677 O30.98 Si5.958 Ti0.042 V0.006 Zn0.009 -","- Al18.333 B9 Ca0.33 F0.06 Fe2.349 H1.854 K0.03 Mg6.264 Mn0.018 Na2.031 O92.94 Si17.874 Ti0.126 V0.018 Zn0.027 -","3","0.166667","","Bosi, F.; Lucchesi, S.","Crystal chemistry of the schorl-dravite series Note: Tourmaline TM65e","European Journal of Mineralogy","2004","16","","335","344","10.1127/0935-1221/2004/0016-0335","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9005658","15.9706","","15.9706","","7.2276","","90","","90","","120","","1596.49","","","","","","","","","","","","Olkhon (Lake Baikal), Siberia","16","R 3 m :H","R 3 -2""","160","","","Oxy-dravite","- Al5.262 B3 Ca0.412 Cr0.168 F0.314 Fe0.006 H0.248 K0.015 Mg2.784 Mn0.003 Na0.477 O30.685 Si5.91 Ti0.027 V0.831 Zn0.015 -","- Al5.262 B3 Ca0.412 Cr0.168 F0.314 Fe0.006 H0.248 K0.015 Mg2.784 Mn0.003 Na0.477 O30.685 Si5.91 Ti0.027 V0.831 Zn0.015 -","- Al15.786 B9 Ca1.236 Cr0.504 F0.942 Fe0.018 H0.744 K0.045 Mg8.352 Mn0.009 Na1.431 O92.055 Si17.73 Ti0.081 V2.493 Zn0.045 -","3","0.166667","","Bosi, F.; Lucchesi, S.","Crystal chemistry of the schorl-dravite series Note: Tourmaline TM504c","European Journal of Mineralogy","2004","16","","335","344","10.1127/0935-1221/2004/0016-0335","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9005659","15.9659","","15.9659","","7.1693","","90","","90","","120","","1582.68","","","","","","","","","","","","Cruziero, Minas Gerais, Brazil","13","R 3 m :H","R 3 -2""","160","","","Hydroxy-schorl","- Al6.675 B3 F0.177 Fe1.668 H0.512 K0.013 Li0.012 Mg0.663 Na0.633 O30.823 Si5.91 Ti0.051 Zn0.009 -","- Al6.675 B3 F0.177 Fe1.668 H0.512 K0.013 Li0.012 Mg0.663 Na0.633 O30.823 Si5.91 Ti0.051 Zn0.009 -","- Al20.025 B9 F0.531 Fe5.004 H1.536 K0.039 Li0.036 Mg1.989 Na1.899 O92.469 Si17.73 Ti0.153 Zn0.027 -","3","0.166667","","Bosi, F.; Lucchesi, S.","Crystal chemistry of the schorl-dravite series Note: Tourmaline TMl2ap","European Journal of Mineralogy","2004","16","","335","344","10.1127/0935-1221/2004/0016-0335","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9005660","15.9736","","15.9736","","7.1644","","90","","90","","120","","1583.13","","","","","","","","","","","","Cruziero, Minas Gerais, Brazil","14","R 3 m :H","R 3 -2""","160","","","Hydroxy-schorl","- Al6.798 B3 F0.178 Fe1.725 H0.538 K0.013 Li0.024 Mg0.498 Mn0.048 Na0.678 O30.821 Si5.838 Ti0.03 Zn0.039 -","- Al6.798 B3 F0.178 Fe1.725 H0.538 K0.013 Li0.024 Mg0.498 Mn0.048 Na0.678 O30.821 Si5.838 Ti0.03 Zn0.039 -","- Al20.394 B9 F0.534 Fe5.175 H1.614 K0.039 Li0.072 Mg1.494 Mn0.144 Na2.034 O92.463 Si17.514 Ti0.09 Zn0.117 -","3","0.166667","","Bosi, F.; Lucchesi, S.","Crystal chemistry of the schorl-dravite series Note: Tourmaline TMl2al","European Journal of Mineralogy","2004","16","","335","344","10.1127/0935-1221/2004/0016-0335","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:51",""
"9005661","15.9669","","15.9669","","7.1745","","90","","90","","120","","1584.03","","","","","","","","","","","","Cruziero, Minas Gerais, Brazil","13","R 3 m :H","R 3 -2""","160","","","Oxy-schorl","- Al6.39 B3 F0.207 Fe1.665 K0.006 Li0.006 Mg0.906 Mn0.024 Na0.727 O30.793 Si5.94 Ti0.048 Zn0.018 -","- Al6.39 B3 F0.207 Fe1.665 K0.006 Li0.006 Mg0.906 Mn0.024 Na0.727 O30.793 Si5.94 Ti0.048 Zn0.018 -","- Al19.17 B9 F0.621 Fe4.995 K0.018 Li0.018 Mg2.718 Mn0.072 Na2.181 O92.379 Si17.82 Ti0.144 Zn0.054 -","3","0.166667","","Bosi, F.; Lucchesi, S.","Crystal chemistry of the schorl-dravite series Note: Tourmaline TMl3l","European Journal of Mineralogy","2004","16","","335","344","10.1127/0935-1221/2004/0016-0335","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:51",""
"9005662","15.9664","","15.9664","","7.1758","","90","","90","","120","","1584.22","","","","","","","","","","","","Cruziero, Minas Gerais, Brazil","14","R 3 m :H","R 3 -2""","160","","","Oxy-schorl","- Al6.429 B3 F0.157 Fe1.617 H0.14 K0.009 Li0.012 Mg0.879 Mn0.027 Na0.712 O30.843 Si5.964 Ti0.051 Zn0.024 -","- Al6.429 B3 F0.157 Fe1.617 H0.14 K0.009 Li0.012 Mg0.879 Mn0.027 Na0.712 O30.843 Si5.964 Ti0.051 Zn0.024 -","- Al19.287 B9 F0.471 Fe4.851 H0.42 K0.027 Li0.036 Mg2.637 Mn0.081 Na2.136 O92.529 Si17.892 Ti0.153 Zn0.072 -","3","0.166667","","Bosi, F.; Lucchesi, S.","Crystal chemistry of the schorl-dravite series Note: Tourmaline TMl4aa","European Journal of Mineralogy","2004","16","","335","344","10.1127/0935-1221/2004/0016-0335","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:51",""
"9005663","15.9341","","15.9341","","7.189","","90","","90","","120","","1580.72","","","","","","","","","","","","Lake Baikal, Siberia","16","R 3 m :H","R 3 -2""","160","","","Hydroxy-dravite","- Al6.339 B3 Ca0.151 Cr0.003 F0.07 Fe0.348 H0.51 K0.01 Mg2.184 Mn0.012 Na0.605 O30.93 Si5.94 Ti0.129 V0.024 Zn0.021 -","- Al6.339 B3 Ca0.151 Cr0.003 F0.07 Fe0.348 H0.51 K0.01 Mg2.184 Mn0.012 Na0.605 O30.93 Si5.94 Ti0.129 V0.024 Zn0.021 -","- Al19.017 B9 Ca0.453 Cr0.009 F0.21 Fe1.044 H1.53 K0.03 Mg6.552 Mn0.036 Na1.815 O92.79 Si17.82 Ti0.387 V0.072 Zn0.063 -","3","0.166667","","Bosi, F.; Lucchesi, S.","Crystal chemistry of the schorl-dravite series Note: Tourmaline TM9840c","European Journal of Mineralogy","2004","16","","335","344","10.1127/0935-1221/2004/0016-0335","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:51",""
"9005664","15.9303","","15.9303","","7.1951","","90","","90","","120","","1581.3","","","","","","","","","","","","Lake Baikal, Siberia","16","R 3 m :H","R 3 -2""","160","","","Oxy-dravite","- Al6.291 B3 Ca0.187 Cr0.006 F0.054 Fe0.342 H0.442 K0.013 Mg2.214 Mn0.012 Na0.594 O30.946 Si5.952 Ti0.144 V0.039 Zn0.006 -","- Al6.291 B3 Ca0.187 Cr0.006 F0.054 Fe0.342 H0.442 K0.013 Mg2.214 Mn0.012 Na0.594 O30.946 Si5.952 Ti0.144 V0.039 Zn0.006 -","- Al18.873 B9 Ca0.561 Cr0.018 F0.162 Fe1.026 H1.326 K0.039 Mg6.642 Mn0.036 Na1.782 O92.838 Si17.856 Ti0.432 V0.117 Zn0.018 -","3","0.166667","","Bosi, F.; Lucchesi, S.","Crystal chemistry of the schorl-dravite series Note: Tourmaline TM9840f","European Journal of Mineralogy","2004","16","","335","344","10.1127/0935-1221/2004/0016-0335","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:51",""
"9005665","15.9821","","15.9821","","7.2215","","90","","90","","120","","1597.44","","","","","","","","","","","","Lake Baikal, Siberia","16","R 3 m :H","R 3 -2""","160","","","Hydroxy-schorl","- Al5.805 B3 Ca0.163 Cr0.003 F0.042 Fe1.404 H0.509 K0.005 Mg1.728 Mn0.003 Na0.731 O30.958 Si5.91 Ti0.09 V0.045 Zn0.009 -","- Al5.805 B3 Ca0.163 Cr0.003 F0.042 Fe1.404 H0.509 K0.005 Mg1.728 Mn0.003 Na0.731 O30.958 Si5.91 Ti0.09 V0.045 Zn0.009 -","- Al17.415 B9 Ca0.489 Cr0.009 F0.126 Fe4.212 H1.527 K0.015 Mg5.184 Mn0.009 Na2.193 O92.874 Si17.73 Ti0.27 V0.135 Zn0.027 -","3","0.166667","","Bosi, F.; Lucchesi, S.","Crystal chemistry of the schorl-dravite series Note: Tourmaline TM9914b","European Journal of Mineralogy","2004","16","","335","344","10.1127/0935-1221/2004/0016-0335","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:51",""
"9005666","16.0539","","16.0539","","7.3247","","90","","90","","120","","1634.86","","","","","","","","","","","","Sludyanka crystalline complex, Lake Baikal, Russia","15","R 3 m :H","R 3 -2""","160","","","Chromdravite","- Al2.1 B3 Ca0.073 Cr4.347 F0.381 Fe0.051 H3.009 K0.017 Mg2.244 Na0.88 O30.618 Si5.886 Ti0.003 V0.354 Zn0.021 -","- Al2.1 B3 Ca0.073 Cr4.347 F0.381 Fe0.051 H3.009 K0.017 Mg2.244 Na0.88 O30.618 Si5.886 Ti0.003 V0.354 Zn0.021 -","- Al6.3 B9 Ca0.219 Cr13.041 F1.143 Fe0.153 H9.027 K0.051 Mg6.732 Na2.64 O91.854 Si17.658 Ti0.009 V1.062 Zn0.063 -","3","0.166667","","Bosi, F.; Lucchesi, S.; Reznitskii, L.","Crystal chemistry of the dravite-chromdravite series Note: Tourmaline TMt3b","European Journal of Mineralogy","2004","16","","345","352","10.1127/0935-1221/2004/0016-0345","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:51",""
"9005667","16.0377","","16.0377","","7.3157","","90","","90","","120","","1629.56","","","","","","","","","","","","Sludyanka crystalline complex, Lake Baikal, Russia","14","R 3 m :H","R 3 -2""","160","","","Chromdravite","- Al2.364 B3 Ca0.068 Cr4.029 F0.332 Fe0.036 H2.982 K0.017 Mg2.322 Na0.892 O30.668 Si5.976 Ti0.03 V0.243 -","- Al2.364 B3 Ca0.068 Cr4.029 F0.332 Fe0.036 H2.982 K0.017 Mg2.322 Na0.892 O30.668 Si5.976 Ti0.03 V0.243 -","- Al7.092 B9 Ca0.204 Cr12.087 F0.996 Fe0.108 H8.946 K0.051 Mg6.966 Na2.676 O92.004 Si17.928 Ti0.09 V0.729 -","3","0.166667","","Bosi, F.; Lucchesi, S.; Reznitskii, L.","Crystal chemistry of the dravite-chromdravite series Note: Tourmaline TMt6b","European Journal of Mineralogy","2004","16","","345","352","10.1127/0935-1221/2004/0016-0345","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:51",""
"9005668","16.0299","","16.0299","","7.3056","","90","","90","","120","","1625.73","","","","","","","","","","","","Sludyanka crystalline complex, Lake Baikal, Russia","15","R 3 m :H","R 3 -2""","160","","","Chromdravite","- Al2.856 B3 Ca0.043 Cr3.372 F0.361 Fe0.027 H2.937 K0.027 Mg2.085 Na0.842 O30.639 Si5.868 Ti0.003 V0.783 Zn0.009 -","- Al2.856 B3 Ca0.043 Cr3.372 F0.361 Fe0.027 H2.937 K0.027 Mg2.085 Na0.842 O30.639 Si5.868 Ti0.003 V0.783 Zn0.009 -","- Al8.568 B9 Ca0.129 Cr10.116 F1.083 Fe0.081 H8.811 K0.081 Mg6.255 Na2.526 O91.917 Si17.604 Ti0.009 V2.349 Zn0.027 -","3","0.166667","","Bosi, F.; Lucchesi, S.; Reznitskii, L.","Crystal chemistry of the dravite-chromdravite series Note: Tourmaline TMt3c","European Journal of Mineralogy","2004","16","","345","352","10.1127/0935-1221/2004/0016-0345","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:51",""
"9005669","16.0204","","16.0204","","7.2985","","90","","90","","120","","1622.22","","","","","","","","","","","","Sludyanka crystalline complex, Lake Baikal, Russia","15","R 3 m :H","R 3 -2""","160","","","Chromdravite","- Al2.682 B3 Ca0.097 Cr3.9 F0.393 Fe0.042 H2.82 K0.014 Mg2.208 Na0.829 O30.607 Si5.982 Ti0.03 V0.147 Zn0.012 -","- Al2.682 B3 Ca0.097 Cr3.9 F0.393 Fe0.042 H2.82 K0.014 Mg2.208 Na0.829 O30.607 Si5.982 Ti0.03 V0.147 Zn0.012 -","- Al8.046 B9 Ca0.291 Cr11.7 F1.179 Fe0.126 H8.46 K0.042 Mg6.624 Na2.487 O91.821 Si17.946 Ti0.09 V0.441 Zn0.036 -","3","0.166667","","Bosi, F.; Lucchesi, S.; Reznitskii, L.","Crystal chemistry of the dravite-chromdravite series Note: Tourmaline TMpr79f","European Journal of Mineralogy","2004","16","","345","352","10.1127/0935-1221/2004/0016-0345","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:51",""
"9005670","15.9911","","15.9911","","7.2764","","90","","90","","120","","1611.4","","","","","","","","","","","","Sludyanka crystalline complex, Lake Baikal, Russia","15","R 3 m :H","R 3 -2""","160","","","Dravite","- Al3.354 B3 Ca0.028 Cr3.15 F0.259 Fe0.036 H3.034 K0.022 Mg2.169 Na0.888 O30.741 Si5.988 Ti0.003 V0.279 Zn0.015 -","- Al3.354 B3 Ca0.028 Cr3.15 F0.259 Fe0.036 H3.034 K0.022 Mg2.169 Na0.888 O30.741 Si5.988 Ti0.003 V0.279 Zn0.015 -","- Al10.062 B9 Ca0.084 Cr9.45 F0.777 Fe0.108 H9.102 K0.066 Mg6.507 Na2.664 O92.223 Si17.964 Ti0.009 V0.837 Zn0.045 -","3","0.166667","","Bosi, F.; Lucchesi, S.; Reznitskii, L.","Crystal chemistry of the dravite-chromdravite series Note: Tourmaline TM1p43e","European Journal of Mineralogy","2004","16","","345","352","10.1127/0935-1221/2004/0016-0345","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:51",""
"9005671","5.827","","12.899","","5.646","","90","","107.69","","90","","404.301","","","","","","","","","","","","Tsumeb, Namibia","6","P 1 21/c 1","-P 2ybc","14","","","Zincroselite","- As2 Ca2 H4 Mg0.14 O10 Zn0.86 -","- As2 Ca2 H4 Mg0.14 O10 Zn0.86 -","- As4 Ca4 H8 Mg0.28 O20 Zn1.72 -","2","0.5","","Keller, P.; Lissner, F.; Schleid, T.","The crystal structures of zincroselite and gaitite: Two natural polymorphs of Ca2Zn[AsO4]2*2H2O from Tsumeb, Namibia","European Journal of Mineralogy","2004","16","","353","359","10.1127/0935-1221/2004/0016-0353","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:43",""
"9005672","5.899","","6.978","","5.575","","97.41","","109.08","","108.09","","199.258","","","","","","","","","","","","Tsumeb, Namibia","6","P -1","-P 1","2","","","Gaitite","- As2 Ca2 H4 Mg0.42 O10 Zn0.58 -","- As2 Ca2 H4 Mg0.42 O10 Zn0.58 -","- As2 Ca2 H4 Mg0.42 O10 Zn0.58 -","1","0.5","","Keller, P.; Lissner, F.; Schleid, T.","The crystal structures of zincroselite and gaitite: Two natural polymorphs of Ca2Zn[AsO4]2*2H2O from Tsumeb, Namibia Note: c cell edge corrected by authors","European Journal of Mineralogy","2004","16","","353","359","10.1127/0935-1221/2004/0016-0353","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005673","9.455","","5.866","","8.668","","90","","90","","90","","480.754","","","","","","","","","","","","Tachgagalt mine, Morocco","4","P n m a","-P 2ac 2n","62","","","Jacquesdietrichite","- B Cu2 H5 O6 -","- B Cu2 H5 O6 -","- B4 Cu8 H20 O24 -","4","0.5","","Kampf, A. R.; Favreau, G.","Jacquesdietrichite, Cu2[BO(OH)2](OH)3, a new mineral from the Tachgagalt mine, Morocco: Description and crystal structure","European Journal of Mineralogy","2004","16","","361","366","10.1127/0935-1221/2004/0016-0361","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005674","6.981","","7.646","","17.249","","90","","90","","90.039","","920.695","","","","","","","","","","","","Repete mine, San Juan County, Utah, USA","6","P 1 1 m","P -2","6","","","Larisaite","- H22 K0.15 Na1.2 O38 Se4 U6 -","- H22 K0.15 Na1.2 O38 Se4 U6 -","- H22 K0.15 Na1.2 O38 Se4 U6 -","1","0.5","","Chukanov, N. V.; Pushcharovsky, D. Y.; Pasero, M.; Merlino, S.; Barinova, A. V.; Mockel, S.; Pekov, I. V.; Zadov, A. E.; Dubinchuk, V. T.","Larisaite, Na(H3O)(UO2)3(SeO3)2O2*4H2O, a new uranyl selenite mineral from Repete mine, San Juan County, Utah, U.S.A.","European Journal of Mineralogy","2004","16","","367","374","10.1127/0935-1221/2004/0016-0367","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9005675","10.05","","10.05","","14.338","","90","","90","","120","","1254.16","","","","","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","Trattnerite","- Fe2.44 K0.05 Mg2.56 O30 Si12 -","- Fe2.44 K0.05 Mg2.56 O30 Si12 -","- Fe4.88 K0.1 Mg5.12 O60 Si24 -","2","0.0833333","","Postl, W.; Walter, F.; Ettinger, K.; Hauzenberger, C.; Bojar, H. P.","Trattnerite, (Fe,Mg)2(Mg,Fe)3[Si12O30], a new mineral of the milarite group: mineral data and crystal structure Sample: tr1 Note: X-coordinate of A site adjusted to match reported bond lengths and Figure 3","European Journal of Mineralogy","2004","16","","375","380","10.1127/0935-1221/2004/0016-0375","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005676","10.065","","10.065","","14.341","","90","","90","","120","","1258.17","","","","","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","Trattnerite","- Fe2.47 K0.12 Mg2.53 O30 Si12 -","- Fe2.47 K0.12 Mg2.53 O30 Si12 -","- Fe4.94 K0.24 Mg5.06 O60 Si24 -","2","0.0833333","","Postl, W.; Walter, F.; Ettinger, K.; Hauzenberger, C.; Bojar, H. P.","Trattnerite, (Fe,Mg)2(Mg,Fe)3[Si12O30], a new mineral of the milarite group: mineral data and crystal structure Sample: tr2 Note: X-coordinate of A site adjusted to match reported bond lengths and Figure 3","European Journal of Mineralogy","2004","16","","375","380","10.1127/0935-1221/2004/0016-0375","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005677","9.748","","8.926","","5.264","","90","","105.89","","90","","440.523","","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","Diopside","- B0.018 Ca0.916 Mg0.926 Na0.066 O6 Si1.96 Ti0.086 -","- B0.018 Ca0.916 Mg0.926 Na0.066 O6 Si1.96 Ti0.086 -","- B0.072 Ca3.664 Mg3.704 Na0.264 O24 Si7.84 Ti0.344 -","4","0.5","","Nazzareni, S.; Molin, G.; Skogby, H.; Dal Negro, A.","Crystal chemistry of Ti3±Ti4±bearing synthetic diopsides Sample: Di64","European Journal of Mineralogy","2004","16","","443","449","10.1127/0935-1221/2004/0016-0443","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005678","9.756","","8.929","","5.269","","90","","106.06","","90","","441.076","","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","Diopside","- B0.022 Ca0.82 Mg0.846 Na0.168 O6 Si1.882 Ti0.272 -","- B0.022 Ca0.82 Mg0.846 Na0.168 O6 Si1.882 Ti0.272 -","- B0.088 Ca3.28 Mg3.384 Na0.672 O24 Si7.528 Ti1.088 -","4","0.5","","Nazzareni, S.; Molin, G.; Skogby, H.; Dal Negro, A.","Crystal chemistry of Ti3±Ti4±bearing synthetic diopsides Sample: Di80","European Journal of Mineralogy","2004","16","","443","449","10.1127/0935-1221/2004/0016-0443","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005679","9.747","","8.922","","5.278","","90","","106.1","","90","","440.987","","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","Diopside","- B0.028 Ca0.872 Mg0.906 Na0.118 O6 Si1.94 Ti0.138 -","- B0.028 Ca0.872 Mg0.906 Na0.118 O6 Si1.94 Ti0.138 -","- B0.112 Ca3.488 Mg3.624 Na0.472 O24 Si7.76 Ti0.552 -","4","0.5","","Nazzareni, S.; Molin, G.; Skogby, H.; Dal Negro, A.","Crystal chemistry of Ti3±Ti4±bearing synthetic diopsides Sample: Di81a","European Journal of Mineralogy","2004","16","","443","449","10.1127/0935-1221/2004/0016-0443","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005680","9.748","","8.926","","5.281","","90","","106.09","","90","","441.503","","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","Diopside","- B0.044 Ca0.784 Mg0.85 Na0.19 O6 Si1.892 Ti0.254 -","- B0.044 Ca0.784 Mg0.85 Na0.19 O6 Si1.892 Ti0.254 -","- B0.176 Ca3.136 Mg3.4 Na0.76 O24 Si7.568 Ti1.016 -","4","0.5","","Nazzareni, S.; Molin, G.; Skogby, H.; Dal Negro, A.","Crystal chemistry of Ti3±Ti4±bearing synthetic diopsides Sample: Di72","European Journal of Mineralogy","2004","16","","443","449","10.1127/0935-1221/2004/0016-0443","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005681","9.765","","8.929","","5.284","","90","","106.19","","90","","442.45","","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","Diopside","- B0.024 Ca0.836 Mg0.892 Na0.14 O6 Si1.888 Ti0.206 -","- B0.024 Ca0.836 Mg0.892 Na0.14 O6 Si1.888 Ti0.206 -","- B0.096 Ca3.344 Mg3.568 Na0.56 O24 Si7.552 Ti0.824 -","4","0.5","","Nazzareni, S.; Molin, G.; Skogby, H.; Dal Negro, A.","Crystal chemistry of Ti3±Ti4±bearing synthetic diopsides Sample: Di73","European Journal of Mineralogy","2004","16","","443","449","10.1127/0935-1221/2004/0016-0443","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005682","9.765","","8.929","","5.284","","90","","106.19","","90","","442.45","","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","Diopside","- B0.024 Ca0.844 Mg0.922 Na0.128 O6 Si1.888 Ti0.188 -","- B0.024 Ca0.844 Mg0.922 Na0.128 O6 Si1.888 Ti0.188 -","- B0.096 Ca3.376 Mg3.688 Na0.512 O24 Si7.552 Ti0.752 -","4","0.5","","Nazzareni, S.; Molin, G.; Skogby, H.; Dal Negro, A.","Crystal chemistry of Ti3±Ti4±bearing synthetic diopsides Sample: Di73*","European Journal of Mineralogy","2004","16","","443","449","10.1127/0935-1221/2004/0016-0443","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005683","13.337","","17.879","","5.264","","90","","105.27","","90","","1210.9","","","","","","","","","","","","Lorenzo Pech mine, near Ticul, on the way to Chapab, Chiapas, Mexico","8","C 1 2/m 1","-C 2y","12","","","Palygorskite (deuterated)","- Al0.82 D5 Fe0.12 H1.8 K0.02 Mg1.08 O15.5 Si3.96 -","- Al0.82 D5 Fe0.12 H5 K0.02 Mg1.08 O15.5 Si3.96 -","- Al3.28 D20 Fe0.48 H20 K0.08 Mg4.32 O62 Si15.84 -","4","0.5","","Guistetto, R.; Chiari, G.","Crystal structure refinement of palygorskite from neutron powder diffraction Mexico Note: Occupancies created to match reported formula","European Journal of Mineralogy","2004","16","","521","532","10.1127/0935-1221/2004/0016-0521","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005684","12.672","","17.875","","5.236","","90","","90","","90","","1186.02","","","","","","","","","","","","Lorenzo Pech mine, near Ticul, on the way to Chapab, Chiapas, Mexico","8","P b m n","-P 2ab 2ab","53","","","Palygorskite (deuterated)","- Al0.82 D5.02 Fe0.12 H1.8 K0.02 Mg1.08 O15.5 Si3.96 -","- Al0.82 D5.02 Fe0.12 H5 K0.02 Mg1.08 O15.5 Si3.96 -","- Al3.28 D20.08 Fe0.48 H20 K0.08 Mg4.32 O62 Si15.84 -","4","0.5","","Guistetto, R.; Chiari, G.","Crystal structure refinement of palygorskite from neutron powder diffraction Mexico Note: Occupancies created to match reported formula","European Journal of Mineralogy","2004","16","","521","532","10.1127/0935-1221/2004/0016-0521","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005685","8.772","","13.37","","14.69","","90","","115.944","","90","","1549.24","","","","","","","","","","","","","7","I 1 2/c 1","-I 2yc","15","","","Filatovite","- Al1.9 As1.1 K0.9 Na0.1 O8 Si0.9 Zn0.1 -","- Al1.9 As1.1 K0.9 Na0.1 O8 Si0.9 Zn0.1 -","- Al15.2 As8.8 K7.2 Na0.8 O64 Si7.2 Zn0.8 -","8","1","","Filatov, S. K.; Krivovichev, S. V.; Burns, P. C.; Vergasova, L. P.","Crystal structure of filatovite, K[(Al,Zn)2(As,Si)2O8], the first arsenate of the feldspar group","European Journal of Mineralogy","2004","16","","537","543","10.1127/0935-1221/2004/0016-0537","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005686","18.971","","19.204","","6.5952","","90","","91.601","","90","","2401.82","","","","","","","","","","","","","6","F 1 d 1","","","","","Paranatrolite","- Al2.25 H6.04 K0.229 Na1.95 O13.021 Si2.75 -","- Al2.25 H6.04 K0.229 Na1.95 O13.021 Si2.75 -","- Al18 H48.32 K1.832 Na15.6 O104.168 Si22 -","8","","","Seryotkin, Y. V.; Bakakin, V. V.; Belitsky, I. A.","The crystal structure of paranatrolite","European Journal of Mineralogy","2004","16","","545","550","10.1127/0935-1221/2004/0016-0545","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:47",""
"9005687","15.9158","","15.9158","","7.1201","","90","","90","","120","","1561.97","","","","","","","","","","","","Eibenstein an der Thaya, Bohemian massif, Lower Austria","13","R 3 m :H","R 3 -2""","160","","","Olenite","- Al7.68 B3 Ca0.03 F0.54 Fe0.06 H3.37 K0.01 Li0.54 Mn0.93 Na0.84 O30.46 Si5.76 Ti0.03 -","- Al7.68 B3 Ca0.03 F0.54 Fe0.06 H3.37 K0.01 Li0.54 Mn0.93 Na0.84 O30.46 Si5.76 Ti0.03 -","- Al23.04 B9 Ca0.09 F1.62 Fe0.18 H10.11 K0.03 Li1.62 Mn2.79 Na2.52 O91.38 Si17.28 Ti0.09 -","3","0.166667","","Ertl, A.; Schuster, R.; Prowatke, S.; Brandstatter, F.; Ludwig, T.; Bernhardt, H. J.; Koller, F.; Hughes, J. M.","Mn-rich tourmaline and fluorapatite in a Variscan pegmatite from Eibenstein an der Thaya, Bohemian massif, Lower Austria","European Journal of Mineralogy","2004","16","","551","560","10.1127/0935-1221/2004/0016-0551","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:10",""
"9005688","10.037","","10.037","","23.739","","90","","90","","90","","2391.5","","","","","","","","","","","","","7","I 4/m m m","-I 4 2","139","","","Mahnertite","- As8 Ca0.48 Cl2.5 Cu11 H82 Na3.52 O46.5 -","- As8 Ca0.48 Cl2.5 Cu11 H29 Na3.52 O46.5 -","- As16 Ca0.96 Cl5 Cu22 H58 Na7.04 O93 -","2","0.0625","","Pushcharovsky, D. Y.; Zubkova, N. V.; Teat, S. J.; Maclean, E. J.; Sarp, H.","Crystal structure of mahnertite","European Journal of Mineralogy","2004","16","","687","692","10.1127/0935-1221/2004/0016-0687","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005689","15.9443","","15.9443","","7.2094","","90","","90","","120","","1587.23","","","","","","","","","","","","Syros, Greece","11","R 3 m :H","R 3 -2""","160","","","Dravite","- Al5.91 B3.18 Ca0.02 F0.07 Fe0.63 H3.93 Mg2.37 Na0.96 O30.93 Si5.82 Ti0.06 -","- Al5.91 B3.18 Ca0.02 F0.07 Fe0.63 H3.93 Mg2.37 Na0.96 O30.93 Si5.82 Ti0.06 -","- Al17.73 B9.54 Ca0.06 F0.21 Fe1.89 H11.79 Mg7.11 Na2.88 O92.79 Si17.46 Ti0.18 -","3","0.166667","","Marschall, H. R.; Ertl, A.; Hughes, J. M.; McCammon, C. A.","Metamorphic Na- and OH-rich disordered dravite with tetrahedral boron, associated with omphacite, from Syros, Greece: chemistry and structure Sample: SY309B","European Journal of Mineralogy","2004","16","","817","823","10.1127/0935-1221/2004/0016-0817","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9005690","14.58","","8.024","","9.8486","","90","","111.801","","90","","1069.78","","","","","","","","","","","","Kopaonik Mt, central Serbia","4","P 1 21/a 1","-P 2yab","14","","","Nobleite","- B6 Ca H8 O14 -","- B6 Ca H8 O14 -","- B24 Ca4 H32 O56 -","4","1","","Karanovic, L.; Rosic, A.; Poleti, D.","Crystal structure of nobleite, Ca[B6O9(OH)2]*3H2O, from Jarandol (Serbia) Note: Ca analogue of tunellite","European Journal of Mineralogy","2004","16","","825","833","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005691","55.824","","4.0892","","24.128","","90","","113.14","","90","","5064.71","","","","","","","","","","","","Tuscany, Italy","7","C 1 2/m 1","-C 2y","12","","","Pellouxite","- Ag0.26 Cl0.5 Cu0.68 O0.5 Pb10.44 S27.5 Sb11.56 -","- Ag0.26 Cl0.5 Cu0.68 O0.5 Pb10.44 S27.5 Sb11.56 -","- Ag1.04 Cl2 Cu2.72 O2 Pb41.76 S110 Sb46.24 -","4","0.5","","Palvadeau, P.; Meerschaut, A.; Orlandi, P.; Moelo, Y.","Lead-antimony sulfosalts from Tuscany (Italy). VII. Crystal structure of pellouxite, ~ (Cu,Ag)2Pb21Sb23S55ClO, an expanded monoclinic derivative of Ba12Bi24S48 hexagonal sub-type (zinkenite group)","European Journal of Mineralogy","2004","16","","845","855","10.1127/0935-1221/2004/0016-0845","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005692","10.919","","10.485","","7.485","","90","","109.55","","90","","807.524","","","","","","","","","","","","Pian di Celle, Umbria, Italy","6","P 1 21/a 1","-P 2yab","14","","","Cuspidine","- Ca3.69 F2 Na0.17 O7 Si2 Zr0.14 -","- Ca3.69 F2 Na0.17 O7 Si2 Zr0.14 -","- Ca14.76 F8 Na0.68 O28 Si8 Zr0.56 -","4","1","","Bellezza, M.; Merlino, S.; Perchiazzi, N.","Chemical and structural study of the Zr,Ti-disilicates in the venanzite from Pian di Celle, Umbria, Italy","European Journal of Mineralogy","2004","16","","957","969","10.1127/0935-1221/2004/0016-0957","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005693","9.636","","7.341","","5.737","","89.94","","100.74","","101.06","","391.055","","","","","","","","","","","","Pian di Celle, Umbria, Italy","7","P -1","-P 1","2","","","Gotzenite","- Ca5.66 F4 Na1.06 O14 Si4 Ti0.98 Zr0.28 -","- Ca5.66 F4 Na1.06 O14 Si4 Ti0.98 Zr0.28 -","- Ca5.66 F4 Na1.06 O14 Si4 Ti0.98 Zr0.28 -","1","0.5","","Bellezza, M.; Merlino, S.; Perchiazzi, N.","Chemical and structural study of the Zr,Ti-disilicates in the venanzite from Pian di Celle, Umbria, Italy","European Journal of Mineralogy","2004","16","","957","969","10.1127/0935-1221/2004/0016-0957","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005694","5.608","","7.139","","18.575","","90","","102.6","","90","","725.75","","","","","","","","","","","","Langesundsfjord district, Norway","8","P 1 2/c 1","-P 2yc","13","","","Grenmarite","- Ca0.38 F2 Mn1.3 Na3.56 O16 Si4 Ti0.46 Zr2.3 -","- Ca0.38 F2 Mn1.3 Na3.56 O16 Si4 Ti0.46 Zr2.3 -","- Ca0.76 F4 Mn2.6 Na7.12 O32 Si8 Ti0.92 Zr4.6 -","2","0.5","","Bellezza, M.; Franzini, M.; Larsen, A. O.; Merlino, S.; Perchiazzi, N.","Grenmarite, a new member of the gotzenite-seidozerite-rosenbuschite group from the Langesundsfjord district, Norway: definition and crystal structure","European Journal of Mineralogy","2004","16","","971","978","10.1127/0935-1221/2004/0016-0971","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005695","14.563","","13.961","","7.851","","90","","117.62","","90","","1414.32","","","","","","","","","","","","Gjerdingselva, Lunner, Oppland, Oslo Region, Norway","7","C 1 2/m 1","-C 2y","12","","","Gjerdingenite-Mn","- H16 K1.44 Mn1.013 Nb2.508 O34.56 Si8 Ti1.492 -","- H17.12 K1.44 Mn1.013 Nb2.508 O34.56 Si8 Ti1.492 -","- H34.24 K2.88 Mn2.026 Nb5.016 O69.12 Si16 Ti2.984 -","2","0.25","","Raade, G.; Chukanov, N. V.; Kolitsch, U.; Mockel, S.; Zadov, A. E.; Pekov, I. V.","Gjerdingenite-Mn from Norway - a new mineral species in the labuntsovite group: descriptive data and crystal structure","European Journal of Mineralogy","2004","16","","979","987","10.1127/0935-1221/2004/0016-0979","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005696","8.9232","","8.9232","","9.9296","","90","","90","","120","","684.705","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","Parascorodite","- As Fe H4 O6 -","- As Fe H4 O6 -","- As6 Fe6 H24 O36 -","6","0.5","","Perchiazzi, N.; Ondrus, P.; Skala, R.","Ab initio X-ray powder structure determination of parascorodite, Fe(H2O)2AsO4","European Journal of Mineralogy","2004","16","","1003","1007","10.1127/0935-1221/2004/0016-1003","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9005867","10.1073","","10.1073","","10.1073","","90","","90","","90","","1032.54","","","","","","","","","","","","Synthetic","4","P 21 3","P 2ac 2ab 3","198","","","Langbeinite","- K2 Mn2 O12 S3 -","- K2 Mn2 O12 S3 -","- K8 Mn8 O48 S12 -","4","0.333333","","Oelkrug, H.; Bruckel, T.; Hohlwein, D.; Hoser, A.; Prandl, W.","The magnetic structure of the langbeinite K2Mn2(SO4)3","Physics and Chemistry of Minerals","1988","16","","246","249","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005868","10.0443","","10.0735","","10.0036","","90","","90","","90","","1012.18","","","","4.2","","","","","","","","Synthetic","4","P 21 21 21","P 2ac 2ab","19","","","Langbeinite","- K2 Mn2 O12 S3 -","- K2 Mn2 O12 S3 -","- K8 Mn8 O48 S12 -","4","1","","Oelkrug, H.; Bruckel, T.; Hohlwein, D.; Hoser, A.; Prandl, W.","The magnetic structure of the langbeinite K2Mn2(SO4)3 Sample at T = 4.2 K Note, there is something wrong with this dataset.","Physics and Chemistry of Minerals","1988","16","","246","249","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005869","4.7786","","4.9293","","6.9003","","90","","90","","90","","162.538","","","","","","","","","","","","Synthetic","3","P b n m","-P 2c 2ab","62","","","Bridgmanite","- Mg O3 Si -","- Mg O3 Si -","- Mg4 O12 Si4 -","4","0.5","","Ross, N. L.; Hazen, R. M.","Single crystal X-ray diffraction study of MgSiO3 perovskite from 77 to 400 K Sample: Crystal 1","Physics and Chemistry of Minerals","1989","16","","415","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005870","4.7747","","4.9319","","6.8987","","90","","90","","90","","162.453","","","","","","","","","","","","Synthetic","3","P b n m","-P 2c 2ab","62","","","Bridgmanite","- Mg O3 Si -","- Mg O3 Si -","- Mg4 O12 Si4 -","4","0.5","","Ross, N. L.; Hazen, R. M.","Single crystal X-ray diffraction study of MgSiO3 perovskite from 77 to 400 K Sample: Crystal 2","Physics and Chemistry of Minerals","1989","16","","415","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005871","13.0387","","8.8204","","5.864","","90","","90.266","","90","","674.391","","","","295","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","Ilvaite","- Ca Fe3 H O9 Si2 -","- Ca Fe3 H O9 Si2 -","- Ca4 Fe12 H4 O36 Si8 -","4","1","","Ghose, S.; Tsukimura, K.; Hatch, D. M.","Phase transitions in ilvaite, a mixed-valence iron silicate II. A single-crystal X-ray diffraction study and Landau theory of the monoclinic to orthorhombic phase transition induced by charge delocalization Sample: T = 295 K","Physics and Chemistry of Minerals","1989","16","","483","496","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005872","13.0398","","8.8217","","5.8644","","90","","90.244","","90","","674.595","","","","320","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","Ilvaite","- Ca Fe3 H O9 Si2 -","- Ca Fe3 H O9 Si2 -","- Ca4 Fe12 H4 O36 Si8 -","4","1","","Ghose, S.; Tsukimura, K.; Hatch, D. M.","Phase transitions in ilvaite, a mixed-valence iron silicate II. A single-crystal X-ray diffraction study and Landau theory of the monoclinic to orthorhombic phase transition induced by charge delocalization Sample: T = 320 K","Physics and Chemistry of Minerals","1989","16","","483","496","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005873","13.0466","","8.8268","","5.8647","","90","","90.124","","90","","675.376","","","","340","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","Ilvaite","- Ca Fe3 H O9 Si2 -","- Ca Fe3 H O9 Si2 -","- Ca4 Fe12 H4 O36 Si8 -","4","1","","Ghose, S.; Tsukimura, K.; Hatch, D. M.","Phase transitions in ilvaite, a mixed-valence iron silicate II. A single-crystal X-ray diffraction study and Landau theory of the monoclinic to orthorhombic phase transition induced by charge delocalization Sample: T = 340 K","Physics and Chemistry of Minerals","1989","16","","483","496","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005874","13.0497","","8.8291","","5.8652","","90","","90.029","","90","","675.771","","","","360","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","Ilvaite","- Ca Fe3 H O9 Si2 -","- Ca Fe3 H O9 Si2 -","- Ca4 Fe12 H4 O36 Si8 -","4","1","","Ghose, S.; Tsukimura, K.; Hatch, D. M.","Phase transitions in ilvaite, a mixed-valence iron silicate II. A single-crystal X-ray diffraction study and Landau theory of the monoclinic to orthorhombic phase transition induced by charge delocalization Sample: T = 360 K","Physics and Chemistry of Minerals","1989","16","","483","496","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005875","13.0533","","8.8345","","5.8674","","90","","90","","90","","676.625","","","","380","","","","","","","","","5","P n a m","-P 2c 2n","62","","","Ilvaite","- Ca Fe3 H O9 Si2 -","- Ca Fe3 H O9 Si2 -","- Ca4 Fe12 H4 O36 Si8 -","4","0.5","","Ghose, S.; Tsukimura, K.; Hatch, D. M.","Phase transitions in ilvaite, a mixed-valence iron silicate II. A single-crystal X-ray diffraction study and Landau theory of the monoclinic to orthorhombic phase transition induced by charge delocalization Sample: T = 380 K","Physics and Chemistry of Minerals","1989","16","","483","496","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005876","13.0531","","8.8344","","5.8692","","90","","90","","90","","676.814","","","","400","","","","","","","","","5","P n a m","-P 2c 2n","62","","","Ilvaite","- Ca Fe3 H O9 Si2 -","- Ca Fe3 H O9 Si2 -","- Ca4 Fe12 H4 O36 Si8 -","4","0.5","","Ghose, S.; Tsukimura, K.; Hatch, D. M.","Phase transitions in ilvaite, a mixed-valence iron silicate II. A single-crystal X-ray diffraction study and Landau theory of the monoclinic to orthorhombic phase transition induced by charge delocalization Sample: T = 400 K","Physics and Chemistry of Minerals","1989","16","","483","496","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005877","10.2643","","10.2643","","10.2643","","90","","90","","90","","1081.4","","","","440","","","","","","","","","4","P 21 3","","","","","Langbeinite","- Cd2 K2 O12 S3 -","- Cd2 K2 O12 S3 -","- Cd8 K8 O48 S12 -","4","0.333333","","Percival, M. J. L.; Schmahl, W. W.; Salje, E.","Structure of cobalt doped K2Cd2(SO4)3 langbeinite at three temperatures above the P2_13-P2_12_12_1 phase transition, and a new trigger mechanism for the ferroelastic transformation Sample: T = 440 K","Physics and Chemistry of Minerals","1989","16","","569","575","10.1007/BF00202213","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005878","10.285","","10.285","","10.285","","90","","90","","90","","1087.96","","","","540","","","","","","","","","4","P 21 3","","","","","Langbeinite","- Cd2 K2 O12 S3 -","- Cd2 K2 O12 S3 -","- Cd8 K8 O48 S12 -","4","0.333333","","Percival, M. J. L.; Schmahl, W. W.; Salje, E.","Structure of cobalt doped K2Cd2(SO4)3 langbeinite at three temperatures above the P2_13-P2_12_12_1 phase transition, and a new trigger mechanism for the ferroelastic transformation Sample: T = 540 K","Physics and Chemistry of Minerals","1989","16","","569","575","10.1007/BF00202213","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005879","10.3043","","10.3043","","10.3043","","90","","90","","90","","1094.1","","","","640","","","","","","","","","4","P 21 3","","","","","Langbeinite","- Cd2 K2 O12 S3 -","- Cd2 K2 O12 S3 -","- Cd8 K8 O48 S12 -","4","0.333333","","Percival, M. J. L.; Schmahl, W. W.; Salje, E.","Structure of cobalt doped K2Cd2(SO4)3 langbeinite at three temperatures above the P2_13-P2_12_12_1 phase transition, and a new trigger mechanism for the ferroelastic transformation Sample: T = 640 K","Physics and Chemistry of Minerals","1989","16","","569","575","10.1007/BF00202213","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005880","5.1048","","5.3046","","7.418","","90","","90","","90","","200.871","","","","","","","","4500000","","","","","3","P b n m","-P 2c 2ab","62","","","","- Mn O3 Ti -","- Mn O3 Ti -","- Mn4 O12 Ti4 -","4","0.5","","Ross, N. L.; Ko, J.; Prewitt, C. T.","A new phase transition in MnTiO3: LiNbO3-perovskite structure Sample: P = 4.5 GPa","Physics and Chemistry of Minerals","1989","16","","621","629","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005881","5.2114","","5.2608","","7.4263","","90","","90","","90","","203.6","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","","","- Cd Ge O3 -","- Cd Ge O3 -","- Cd4 Ge4 O12 -","4","0.5","","Susaki, J.","CdGeO3-phase transformations at high pressure and temperature and structural refinement of the perovskite polymorph","Physics and Chemistry of Minerals","1989","16","","634","641","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9005882","9.68","","8.83","","5.3","","90","","107.3","","90","","432.52","","","","14","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Aegirine","- Fe0.992 Na0.978 O6 Si1.96 -","- Fe0.992 Na0.978 O6 Si1.96 -","- Fe3.968 Na3.912 O24 Si7.84 -","4","0.5","","Ballet, O.; Coey, J. M. D.; Fillion, G.; Ghose, A.; Hewat, A. W.; Regnard, J. R.","Magnetic order in acmite; NaFeSi2O6 Sample: T = 14 K","Physics and Chemistry of Minerals","1989","16","","672","677","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9007474","10.992","","8.185","","5.671","","93.95","","91.32","","89.85","","508.87","","","","","","","","","","","","Bultfontein mine, Kimberley, South Africa","5","P -1","-P 1","2","","","Bultfonteinite","- Ca2 F H3 O5 Si -","- Ca2 F H3 O5 Si -","- Ca8 F4 H12 O20 Si4 -","4","2","","McIver, E. J.","The structure of bultfonteinite, Ca4Si2O10F2H6","Acta Crystallographica","1963","16","","551","558","10.1107/S0365110X63001456","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007475","4.13","","4.13","","8.49","","90","","90","","120","","125.412","","","","","","","","","","","","Synthetic, preferred structure model","3","P 63/m m c","-P 6c 2c","194","","","Vaterite","- C Ca O3 -","- C0.99999 Ca O2.99997 -","- C1.99998 Ca2 O5.99994 -","2","0.0833333","","Kamhi, S. R.","On the structure of vaterite, CaCO3","Acta Crystallographica","1963","16","","770","772","10.1107/S0365110X63002000","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9009430","7.5","","8.06","","5.02","","90","","112","","90","","281.362","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","Yttrialite-(Y)","- O7 Si2 Y2 -","- O7 Si2 Y2 -","- O14 Si4 Y4 -","2","0.5","","Batalieva, N. G.; Pyatenko Yu, A.","Artificial yttrialite (gamma-phase) - a representative of a new structure type in the rare earth diorthosilicate series","Kristallografiya","1971","16","","905","910","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009749","5.243","","10.028","","5.29","","90","","90","","90","","278.131","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Mg O3 V -","- Mg O3 V -","- Mg4 O12 V4 -","4","0.5","","Bouloux, J. C.; Milosevic, I.; Galy, J.","Les hypovanadates de magnesium MgVO3 et MgV2O5. Structure cristalline de MgVO3","Journal of Solid State Chemistry","1976","16","","393","398","10.1016/0022-4596(76)90056-6","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009892","9.11","","18.032","","5.6923","","90","","90","","90","","935.083","","","","","","","","","","","","Synthetic","4","P 21 21 21","P 2ac 2ab","19","","","Gatehouseite","- H4 Mn5 O12 P2 -","- H4 Mn5 O12 P2 -","- H16 Mn20 O48 P8 -","4","1","","Ruszala, F. A.; Anderson, J. B.; Kostiner, E.","Crystal structures of two isomorphs of arsenoclasite: Co5(PO4)2(OH)4 and Mn5(PO4)2(OH)4","Inorganic Chemistry","1977","16","","2417","2422","10.1021/ic50175a051","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9009893","8.903","","17.397","","5.5154","","90","","90","","90","","854.255","","","","","","","","","","","","Synthetic","4","P 21 21 21","P 2ac 2ab","19","","","","- Co5 H4 O12 P2 -","- Co5 H4 O12 P2 -","- Co20 H16 O48 P8 -","4","1","","Ruszala, F. A.; Anderson, J. B.; Kostiner, E.","Crystal structures of two isomorphs of arsenoclasite: Co5(PO4)2(OH)4 and Mn5(PO4)2(OH)4 Locality: synthetic","Inorganic Chemistry","1977","16","","2417","2422","10.1021/ic50175a051","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9009926","14.949","","10.626","","7.043","","90","","90","","90","","1118.77","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","","Yftisite-(Y)","- F6 O9 Si2 Ti Y4 -","- F6 O9 Si2 Ti Y4 -","- F24 O36 Si8 Ti4 Y16 -","4","0.25","","Balko, V. P.; Bakakin, V. V.","Crystal-structure of natural yttrium and rare-earth fluorotitano-silicate (Y,Ree)4(F,OH)6TiO[SiO4]2 (yftisite)","Zhurnal Strukturnoi Khimii","1975","16","","837","842","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9011054","8.886","","8.886","","8.886","","90","","90","","90","","701.647","","","","","","","","","","","","Synthetic","3","P -4 3 n","P -4n 2 3","218","","","Metaborite","- B H O2 -","- B H O2 -","- B24 H24 O48 -","24","1","","Zachariasen, W. H.","The crystal structure of cubic metaboric acid","Acta Crystallographica","1963","16","","380","384","10.1107/S0365110X63001018","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9011648","4.368","","4.368","","4.958","","90","","90","","120","","81.922","","","","","","","","","","","","Synthetic","1","P 31 2 1","P 31 2""","152","Selenium","","Selenium","- Se -","- Se -","- Se3 -","3","0.5","","Keller, R.; Holzapfel, W. B.; Schulz, H.","Effect of pressure on the atom positions in Se and Te Note: known as alpha phase with trigonal structure","Physical Review B","1977","16","","4404","4412","10.1103/PhysRevB.16.4404","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011649","4.052","","4.052","","5.038","","90","","90","","120","","71.635","","","","","","","","2580000","","","","Synthetic","1","P 31 2 1","P 31 2""","152","Selenium","","Selenium","- Se -","- Se -","- Se3 -","3","0.5","","Keller, R.; Holzapfel, W. B.; Schulz, H.","Effect of pressure on the atom positions in Se and Te Sample: at P = 2.58 GPa Note: known as alpha phase with trigonal structure","Physical Review B","1977","16","","4404","4412","10.1103/PhysRevB.16.4404","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011650","3.956","","3.956","","5.069","","90","","90","","120","","68.701","","","","","","","","4150000","","","","Synthetic","1","P 31 2 1","P 31 2""","152","Selenium","","Selenium","- Se -","- Se -","- Se3 -","3","0.5","","Keller, R.; Holzapfel, W. B.; Schulz, H.","Effect of pressure on the atom positions in Se and Te Sample: at P = 4.15 GPa Note: known as alpha phase with trigonal structure","Physical Review B","1977","16","","4404","4412","10.1103/PhysRevB.16.4404","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011651","3.91","","3.91","","5.08","","90","","90","","120","","67.259","","","","","","","","4990000","","","","Synthetic","1","P 31 2 1","P 31 2""","152","Selenium","","Selenium","- Se -","- Se -","- Se3 -","3","0.5","","Keller, R.; Holzapfel, W. B.; Schulz, H.","Effect of pressure on the atom positions in Se and Te Sample: at P = 4.99 GPa Note: known as alpha phase with trigonal structure","Physical Review B","1977","16","","4404","4412","10.1103/PhysRevB.16.4404","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011652","3.846","","3.846","","5.095","","90","","90","","120","","65.267","","","","","","","","6570000","","","","Synthetic","1","P 31 2 1","P 31 2""","152","Selenium","","Selenium","- Se -","- Se -","- Se3 -","3","0.5","","Keller, R.; Holzapfel, W. B.; Schulz, H.","Effect of pressure on the atom positions in Se and Te Sample: at P = 6.57 GPa Note: known as alpha phase with trigonal structure","Physical Review B","1977","16","","4404","4412","10.1103/PhysRevB.16.4404","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011653","3.81","","3.81","","5.11","","90","","90","","120","","64.239","","","","","","","","7700000","","","","Synthetic","1","P 31 2 1","P 31 2""","152","Selenium","","Selenium","- Se -","- Se -","- Se3 -","3","0.5","","Keller, R.; Holzapfel, W. B.; Schulz, H.","Effect of pressure on the atom positions in Se and Te Sample: at P = 7.70 GPa Note: known as alpha phase with trigonal structure","Physical Review B","1977","16","","4404","4412","10.1103/PhysRevB.16.4404","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011654","3.779","","3.779","","5.109","","90","","90","","120","","63.186","","","","","","","","8640000","","","","Synthetic","1","P 31 2 1","P 31 2""","152","Selenium","","Selenium","- Se -","- Se -","- Se3 -","3","0.5","","Keller, R.; Holzapfel, W. B.; Schulz, H.","Effect of pressure on the atom positions in Se and Te Sample: at P = 8.64 GPa Note: known as alpha phase with trigonal structure","Physical Review B","1977","16","","4404","4412","10.1103/PhysRevB.16.4404","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011852","14.76","","7.14","","5.38","","90","","95","","99","","557.814","","","","","","","","","","","","Inaglinskii Massif, Southern Yakusk, Russia","9","P 1","P 1","1","","","Innelite","- Ba4 Ca0.16 Fe0.2 Mg0.27 Na2.33 O26 S2 Si4 Ti3 -","- Ba4 Ca0.16 Fe0.2 Mg0.27 Na2.33 O26 S2 Si4 Ti3 -","- Ba4 Ca0.16 Fe0.2 Mg0.27 Na2.33 O26 S2 Si4 Ti3 -","1","1","","Chernov, A. N.; Ilyukhin, V. V.; Maksimov, B. A.; Belov, N. V.","Crystal structure of innelite - Na2Ba3(Ba,K,Mn)(Ca,Na)Ti(TiO2)2[Si2O7]2(SO4)2","Soviet Physics Crystallography","1971","16","","65","69","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011853","9.667","","5.731","","7.334","","90","","101.05","","101.31","","390.74","","","","","","","","","","","","Mount Shaheru, Republic of Congo","5","P -1","-P 1","2","","","Gotzenite","- Ca6 Na O18 Si4 Ti -","- Ca6 Na O18 Si4 Ti -","- Ca6 Na O18 Si4 Ti -","1","0.5","","Cannillo, E.; Mazzi, F.; Rossi, G.","Crystal structure of gotzenite","Soviet Physics Crystallography","1972","16","","1026","1030","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011950","6.737","","15.508","","10.132","","90","","90","","90","","1058.56","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca5 O12 P2 Si -","- Ca5 O12 P2 Si -","- Ca20 O48 P8 Si4 -","4","0.5","","Dickens, B.; Brown, W. E.","The crystal structure of Ca5(PO4)2SiO4 (silico-carnotite)","Tschermaks Mineralogische und Petrographische Mitteilungen","1971","16","","1","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9011951","22.841","","9.994","","17.088","","90","","99.63","","90","","3845.76","","","","","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Stanfieldite","- Ca8.02 Mg9.98 O48 P12 -","- Ca8.02 Mg9.98 O48 P12 -","- Ca32.08 Mg39.92 O192 P48 -","4","0.5","","Dickens, B.; Brown, W. E.","The crystal structure of Ca7Mg9(Ca,Mg)2(PO4)12","Tschermaks Mineralogische und Petrographische Mitteilungen","1971","16","","79","104","10.1007/BF01099079","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012505","17.553","","19.354","","11.248","","90","","95.84","","90","","3801.35","","","","","","","","","","","","White Elephant pegmatite, Custer, South Dakota, USA","5","A 1 a 1","A -2ya","9","","","Mitridatite","- Ca2 Fe3 H6 O17 P3 -","- Ca2 Fe3 H6 O17 P3 -","- Ca24 Fe36 H72 O204 P36 -","12","3","","Moore, P. B.; Araki, T.","Mitridatite, Ca6(H2O)6[FeIII9O6(PO4)9]*3H2O. A noteworthy octahedral sheet structure","Inorganic Chemistry","1977","16","","1096","1106","10.1021/ic50171a025","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012718","5.497","","5.497","","20.864","","90","","90","","120","","545.984","","","","","","","","","","","","Synthetic","4","R -3 m :H","-R 3 2""","166","","","Palmierite","- K2 O8 Pb S2 -","- K2 O8 Pb S2 -","- K6 O24 Pb3 S6 -","3","0.0833333","","Tissot, R. G.; Rodriguez, M. A.; Sipola, D. L.; Voigt, J. A.","X-ray powder diffraction study of synthetic palmierite, K2Pb(SO4)2","Powder Diffraction","2001","16","","92","97","10.1154/1.1370567","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012813","14.42","","9.87","","23.33","","90","","105.92","","90","","3193.1","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Al Ge H4 K0.9 Na0.1 O5.666 -","- Al Ge H3.332 K0.9 Na0.1 O5.666 -","- Al24 Ge24 H79.968 K21.6 Na2.4 O135.984 -","24","3","","Celestian, A. J.; Parise, J. B.; Goodell, C.; Tripathi, A.; Hanson, J.","Time-resolved diffraction studies of ion exchange: K(+) and Na(+) exchange into (Al,Ge) gismondine (GIS)Na24Al24Ge24O96*40(H2O) and K8Al8Ge8O32*8(H2O)","Chemistry of Materials","2004","16","","2244","2254","10.1021/cm034746i","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9012821","6.1147","","10.475","","4.9228","","90","","90","","90","","315.313","","","","","","","","","","","","Synthetic","3","P m n b","-P 2bc 2a","62","","","Lithiophosphate","- Li3 O4 P -","- Li3 O4 P -","- Li12 O16 P4 -","4","0.5","","Baur, W. H.","Solid solutions between octahedral and tetrahedral olivine types in Li-Zn-germanates","Inorganic and Nuclear Chemistry Letters","1980","16","","525","527","10.1016/0020-1650(80)80003-1","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9015212","9.42","","9.42","","9.42","","94.28","","94.28","","94.28","","828.533","","","","","","","","","","","","Synthetic","5","R -3 m :R","-P 3* 2","166","","","Chabazite-Ca","- Al3.9 Ca1.95 H26 O37 Si8.1 -","- Al3.9 Ca1.95 H26 O37 Si8.1 -","- Al3.9 Ca1.95 H26 O37 Si8.1 -","1","0.0833333","","Smith, J. V.; Rinaldi, F.; Dent Glasser, L. S.","Crystal structures with a chabazite framework. II. Hydrated Ca-chabazite at room temperature","Acta Crystallographica","1963","16","","45","53","10.1107/S0365110X63000074","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015367","12.76","","7.93","","10.21","","90","","104.4","","90","","1000.66","","","","","","","","","","","","Ojuela mine, Mexico","4","P 1 21/c 1","-P 2ybc","14","","","Legrandite","- As H3 O6 Zn2 -","- As H3 O6 Zn2 -","- As8 H24 O48 Zn16 -","8","2","","Pushcharovskii, D. Y.; Pobedimskaya, E. A.; Belov, N. V.","The crystal structure of legrandite Zn2[AsO4]OH*H2O","Soviet Physics - Doklady","1971","16","","419","421","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015777","5.1175","","5.1175","","14.7716","","90","","90","","120","","335.022","","","","","","","","","","","","Synthetic","4","P 63/m c m","-P 6c 2","193","","","Dmisteinbergite","- Al2 Ca O8 Si2 -","- Al2 Ca O8 Si2 -","- Al4 Ca2 O16 Si4 -","2","0.0833333","","Dimitrijevic, R.; Dondur, V.; Kremenovic, A.","Thermally induced phase transformations of Ca-exchanged LTA and FAU zeolite frameworks: Rietveld refinement of the hexagonal CaAl2Si2O8 diphyllosilicate structure","Zeolites","1996","16","","294","300","10.1016/0144-2449(95)00154-9","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:53",""
"9015871","7.122","","8.842","","6.771","","90","","93.26","","90","","425.698","","","","","","","","","","","","Synthetic","3","P 1 21/a 1","-P 2yab","14","","","Clinometaborite","- B H O2 -","- B H O2 -","- B12 H12 O24 -","12","3","","Zachariasen, W. H.","The crystal structure of monoclinic metaboric acid","Acta Crystallographica","1963","16","","385","389","10.1107/S0365110X6300102X","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9015938","7.055","","7.055","","6.439","","90","","90","","120","","277.551","","","","","","","","","","","","Synthetic","4","P 31 2 1","P 31 2""","152","","","Rhabdophane-(Ce)","- Ce H2 O5 P -","- Ce H2 O5 P -","- Ce3 H6 O15 P3 -","3","0.5","","Mooney, R. C. L.","Crystal structures of a series of rare earth phosphates","Journal of Chemical Physics","1948","16","","1003","1003","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016206","6.7","","20.8","","6.6","","90","","119.25","","90","","802.501","","","","","","","","","","","","Inderskii formation, Kazakh SSR","4","P 1 21 1","P 2yb","4","","","Veatchite","- B11 H7 O22 Sr2 -","- B11 H7 O22 Sr2 -","- B22 H14 O44 Sr4 -","2","1","","Rumanova, I. M.; Gandymov, O.","The crystal structure of the natural strontium borate, p-veatchite, Sr2[B5O8(OH)]2*B(OH)3*H2O Note: polytype veatchite-1M, formally known as veatchite-p","Soviet Physics Crystallography","1971","16","","75","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016394","8.468","","8.468","","8.468","","89.53","","89.53","","89.53","","607.154","","","","","","","","","","","","","3","R -3 c :R","-P 3* 2n","167","","","Chlormanganokalite","- Cl6 K4 Mn -","- Cl6 K4 Mn -","- Cl12 K8 Mn2 -","2","0.166667","","Bellanca, A.","La struttura della cloromanganocalite","Periodico di Mineralogia","1947","16","","73","88","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016405","6.76","","7","","6.44","","90","","103.63","","90","","296.159","","","","","","","","","","","","Synthetic","3","P 1 21/n 1","-P 2yn","14","","","Monazite-(Ce)","- Ce O4 P -","- Ce O4 P -","- Ce4 O16 P4 -","4","1","","Mooney, R. C. L.","Crystal structures of a series of rare earth phosphates Note: O3-y has been modified to a realistic value","Journal of Chemical Physics","1948","16","","1003","1003","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9017290","8.48","","12.97","","7.18","","90","","115.98","","90","","709.895","","","","","","","","","","","","Unknown","4","C 1 2/m 1","-C 2y","12","","","Sanidine","- Al K O8 Si3 -","- Al K O8 Si3 -","- Al4 K4 O32 Si12 -","4","0.5","","Ribbe, P. H.","A refinement of the crystal structure of sanidinised orthoclase Note: Occupancies not provided, estimated using Kroll & Ribbe, 1983","Acta Crystallographica","1963","16","","426","427","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9017385","26.751","","12.393","","7.247","","90","","90","","90","","2402.56","","","","","","","","","","","","Synthetic","3","P n a 21","P 2c -2n","33","","","Flinteite","- Cl4 K2 Zn -","- Cl4 K2 Zn -","- Cl48 K24 Zn12 -","12","3","","Kusz, J.; Kucharczyk, D.","The comparative study of the commensurate structure of K2ZnC14","Applied Crystallography: Proceedings of the XVI Conference","1994","16","","268","272","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""